Registration Desk Tue 29 Nov 07:00 a.m.
Invited Talk: Rediet Abebe
Algorithms On the Bench: Examining Validity of ML Systems in the Public Sphere
Bio :Poster Session 1 Tue 29 Nov 11:00 a.m.
[ Hall J ]
[ Hall J ]

Large-scale graph training is a notoriously challenging problem for graph neural networks (GNNs). Due to the nature of evolving graph structures into the training process, vanilla GNNs usually fail to scale up, limited by the GPU memory space. Up to now, though numerous scalable GNN architectures have been proposed, we still lack a comprehensive survey and fair benchmark of this reservoir to find the rationale for designing scalable GNNs. To this end, we first systematically formulate the representative methods of large-scale graph training into several branches and further establish a fair and consistent benchmark for them by a greedy hyperparameter searching. In addition, regarding efficiency, we theoretically evaluate the time and space complexity of various branches and empirically compare them w.r.t GPU memory usage, throughput, and convergence. Furthermore, We analyze the pros and cons for various branches of scalable GNNs and then present a new ensembling training manner, named EnGCN, to address the existing issues. Remarkably, our proposed method has achieved new state-of-the-art (SOTA) performance on large-scale datasets. Our code is available at https://github.com/VITA-Group/LargeScaleGCN_Benchmarking.
[ Hall J ]

Personalised federated learning (FL) aims at collaboratively learning a machine learning model tailored for each client. Albeit promising advances have been made in this direction, most of the existing approaches do not allow for uncertainty quantification which is crucial in many applications. In addition, personalisation in the cross-silo and cross-device setting still involves important issues, especially for new clients or those having a small number of observations. This paper aims at filling these gaps. To this end, we propose a novel methodology coined FedPop by recasting personalised FL into the population modeling paradigm where clients’ models involve fixed common population parameters and random effects, aiming at explaining data heterogeneity. To derive convergence guarantees for our scheme, we introduce a new class of federated stochastic optimisation algorithms that relies on Markov chain Monte Carlo methods. Compared to existing personalised FL methods, the proposed methodology has important benefits: it is robust to client drift, practical for inference on new clients, and above all, enables uncertainty quantification under mild computational and memory overheads. We provide nonasymptotic convergence guarantees for the proposed algorithms and illustrate their performances on various personalised federated learning tasks.
[ Hall J ]

Data augmentation is a critical contributing factor to the success of deep learning but heavily relies on prior domain knowledge which is not always available. Recent works on automatic data augmentation learn a policy to form a sequence of augmentation operations, which are still pre-defined and restricted to limited options. In this paper, we show that a prior-free autonomous data augmentation's objective can be derived from a representation learning principle that aims to preserve the minimum sufficient information of the labels. Given an example, the objective aims at creating a distant ``hard positive example'' as the augmentation, while still preserving the original label. We then propose a practical surrogate to the objective that can be optimized efficiently and integrated seamlessly into existing methods for a broad class of machine learning tasks, e.g., supervised, semi-supervised, and noisy-label learning. Unlike previous works, our method does not require training an extra generative model but instead leverages the intermediate layer representations of the end-task model for generating data augmentations. In experiments, we show that our method consistently brings non-trivial improvements to the three aforementioned learning tasks from both efficiency and final performance, either or not combined with pre-defined augmentations, e.g., on medical images when …
[ Hall J ]

Bayesian models have many desirable properties, most notable is their ability to generalize from limited data and to properly estimate the uncertainty in their predictions. However, these benefits come at a steep computational cost as Bayesian inference, in most cases, is computationally intractable. One popular approach to alleviate this problem is using a Monte-Carlo estimation with an ensemble of models sampled from the posterior. However, this approach still comes at a significant computational cost, as one needs to store and run multiple models at test time. In this work, we investigate how to best distill an ensemble's predictions using an efficient model. First, we argue that current approaches are limited as they are constrained to classification and the Dirichlet distribution. Second, in many limited data settings, all ensemble members achieve nearly zero training loss, namely, they produce near-identical predictions on the training set which results in sub-optimal distilled models. To address both problems, we propose a novel and general distillation approach, named Functional Ensemble Distillation (FED), and we investigate how to best distill an ensemble in this setting. We find that learning the distilled model via a simple augmentation scheme in the form of mixup augmentation significantly boosts the performance. …
[ Hall J ]
Reinforcement learning (RL) agents are widely used for solving complex sequential decision-making tasks, but still exhibit difficulty generalizing to scenarios not seen during training. While prior online approaches demonstrated that using additional signals beyond the reward function can lead to better generalization capabilities in RL agents, i.e. using self-supervised learning (SSL), they struggle in the offline RL setting, i.e. learning from a static dataset. We show that the performance of online algorithms for generalization in RL can be hindered in the offline setting due to poor estimation of similarity between observations. We propose a new theoretically-motivated framework called Generalized Similarity Functions (GSF), which uses contrastive learning to train an offline RL agent to aggregate observations based on the similarity of their expected future behavior, where we quantify this similarity using generalized value functions. We show that GSF is general enough to recover existing SSL objectives while improving zero-shot generalization performance on two complex pixel-based offline RL benchmarks.
[ Hall J ]

Recent papers have shown that large pre-trained language models (LLMs) such as BERT, GPT-2 can be fine-tuned on private data to achieve performance comparable to non-private models for many downstream Natural Language Processing (NLP) tasks while simultaneously guaranteeing differential privacy. The inference cost of these models -- which consist of hundreds of millions of parameters -- however, can be prohibitively large. Hence, often in practice, LLMs are compressed before they are deployed in specific applications. In this paper, we initiate the study of differentially private model compression and propose frameworks for achieving 50% sparsity levels while maintaining nearly full performance. We demonstrate these ideas on standard GLUE benchmarks using BERT models, setting benchmarks for future research on this topic.
[ Hall J ]

We present SELOR, a framework for integrating self-explaining capabilities into a given deep model to achieve both high prediction performance and human precision. By “human precision”, we refer to the degree to which humans agree with the reasons models provide for their predictions. Human precision affects user trust and allows users to collaborate closely with the model. We demonstrate that logic rule explanations naturally satisfy them with the expressive power required for good predictive performance. We then illustrate how to enable a deep model to predict and explain with logic rules. Our method does not require predefined logic rule sets or human annotations and can be learned efficiently and easily with widely-used deep learning modules in a differentiable way. Extensive experiments show that our method gives explanations closer to human decision logic than other methods while maintaining the performance of the deep learning model.
[ Hall J ]

Structured representations such as keypoints are widely used in pose transfer, conditional image generation, animation, and 3D reconstruction. However, their supervised learning requires expensive annotation for each target domain. We propose a self-supervised method that learns to disentangle object structure from the appearance with a graph of 2D keypoints linked by straight edges. Both the keypoint location and their pairwise edge weights are learned, given only a collection of images depicting the same object class. The resulting graph is interpretable, for example, AutoLink recovers the human skeleton topology when applied to images showing people. Our key ingredients are i) an encoder that predicts keypoint locations in an input image, ii) a shared graph as a latent variable that links the same pairs of keypoints in every image, iii) an intermediate edge map that combines the latent graph edge weights and keypoint locations in a soft, differentiable manner, and iv) an inpainting objective on randomly masked images. Although simpler, AutoLink outperforms existing self-supervised methods on the established keypoint and pose estimation benchmarks and paves the way for structure-conditioned generative models on more diverse datasets. Project website: https://xingzhehe.github.io/autolink/.
[ Hall J ]

While behavior learning has made impressive progress in recent times, it lags behind computer vision and natural language processing due to its inability to leverage large, human-generated datasets. Human behavior has a wide variance, multiple modes, and human demonstrations naturally do not come with reward labels. These properties limit the applicability of current methods in Offline RL and Behavioral Cloning to learn from large, pre-collected datasets. In this work, we present Behavior Transformer (BeT), a new technique to model unlabeled demonstration data with multiple modes. BeT retrofits standard transformer architectures with action discretization coupled with a multi-task action correction inspired by offset prediction in object detection. This allows us to leverage the multi-modal modeling ability of modern transformers to predict multi-modal continuous actions. We experimentally evaluate BeT on a variety of robotic manipulation and self-driving behavior datasets. We show that BeT significantly improves over prior state-of-the-art work on solving demonstrated tasks while capturing the major modes present in the pre-collected datasets. Finally, through an extensive ablation study, we further analyze the importance of every crucial component in BeT. Videos of behavior generated by BeT are available here: https://mahis.life/bet
[ Hall J ]

Successful coordination in Dec-POMDPs requires agents to adopt robust strategies and interpretable styles of play for their partner. A common failure mode is symmetry breaking, when agents arbitrarily converge on one out of many equivalent but mutually incompatible policies. Commonly these examples include partial observability, e.g. waving your right hand vs. left hand to convey a covert message. In this paper, we present a novel equivariant network architecture for use in Dec-POMDPs that prevents the agent from learning policies which break symmetries, doing so more effectively than prior methods. Our method also acts as a "coordination-improvement operator" for generic, pre-trained policies, and thus may be applied at test-time in conjunction with any self-play algorithm. We provide theoretical guarantees of our work and test on the AI benchmark task of Hanabi, where we demonstrate our methods outperforming other symmetry-aware baselines in zero-shot coordination, as well as able to improve the coordination ability of a variety of pre-trained policies. In particular, we show our method can be used to improve on the state of the art for zero-shot coordination on the Hanabi benchmark.
[ Hall J ]

[ Hall J ]

An important step towards explaining deep image classifiers lies in the identification of image regions that contribute to individual class scores in the model's output. However, doing this accurately is a difficult task due to the black-box nature of such networks. Most existing approaches find such attributions either using activations and gradients or by repeatedly perturbing the input. We instead address this challenge by training a second deep network, the Explainer, to predict attributions for a pre-trained black-box classifier, the Explanandum. These attributions are provided in the form of masks that only show the classifier-relevant parts of an image, masking out the rest. Our approach produces sharper and more boundary-precise masks when compared to the saliency maps generated by other methods. Moreover, unlike most existing approaches, ours is capable of directly generating very distinct class-specific masks in a single forward pass. This makes the proposed method very efficient during inference. We show that our attributions are superior to established methods both visually and quantitatively with respect to the PASCAL VOC-2007 and Microsoft COCO-2014 datasets.
[ Hall J ]

We propose Active Surrogate Estimators (ASEs), a new method for label-efficient model evaluation. Evaluating model performance is a challenging and important problem when labels are expensive. ASEs address this active testing problem using a surrogate-based estimation approach that interpolates the errors of points with unknown labels, rather than forming a Monte Carlo estimator. ASEs actively learn the underlying surrogate, and we propose a novel acquisition strategy, XWED, that tailors this learning to the final estimation task. We find that ASEs offer greater label-efficiency than the current state-of-the-art when applied to challenging model evaluation problems for deep neural networks.
[ Hall J ]

Tree ensembles can be well-suited for black-box optimization tasks such as algorithm tuning and neural architecture search, as they achieve good predictive performance with little or no manual tuning, naturally handle discrete feature spaces, and are relatively insensitive to outliers in the training data. Two well-known challenges in using tree ensembles for black-box optimization are (i) effectively quantifying model uncertainty for exploration and (ii) optimizing over the piece-wise constant acquisition function. To address both points simultaneously, we propose using the kernel interpretation of tree ensembles as a Gaussian Process prior to obtain model variance estimates, and we develop a compatible optimization formulation for the acquisition function. The latter further allows us to seamlessly integrate known constraints to improve sampling efficiency by considering domain-knowledge in engineering settings and modeling search space symmetries, e.g., hierarchical relationships in neural architecture search. Our framework performs as well as state-of-the-art methods for unconstrained black-box optimization over continuous/discrete features and outperforms competing methods for problems combining mixed-variable feature spaces and known input constraints.
[ Hall J ]

Electron cryo-microscopy (cryo-EM) is a powerful method for investigating the structures of protein molecules, with important implications for understanding the molecular processes of life and drug development. In this technique, many noisy, two-dimensional projection images of protein molecules in unknown poses are combined into one or more three-dimensional reconstructions. The presence of multiple structural states in the data represents a major bottleneck in existing processing pipelines, often requiring expert user supervision. Variational auto-encoders (VAEs) have recently been proposed as an attractive means for learning the data manifold of data sets with a large number of different states. These methods are based on a coordinate-based approach, similar to Neural Radiance Fields (NeRF), to make volumetric reconstructions from 2D image data in Fourier-space. Although NeRF is a powerful method for real-space reconstruction, many of the benefits of the method do not transfer to Fourier-space, e.g. inductive bias for spatial locality. We present an approach where the VAE reconstruction is expressed on a volumetric grid, and demonstrate how this model can be trained efficiently through a novel backpropagation method that exploits the sparsity of the projection operation in Fourier-space. We achieve improved results on a simulated data set and at least equivalent results …
[ Hall J ]

In reasoning about sequential events it is natural to pose probabilistic queries such as “when will event A occur next” or “what is the probability of A occurring before B”, with applications in areas such as user modeling, language models, medicine, and finance. These types of queries are complex to answer compared to next-event prediction, particularly for neural autoregressive models such as recurrent neural networks and transformers. This is in part due to the fact that future querying involves marginalization over large path spaces, which is not straightforward to do efficiently in such models. In this paper we introduce a general typology for predictive queries in neural autoregressive sequence models and show that such queries can be systematically represented by sets of elementary building blocks. We leverage this typology to develop new query estimation methods based on beam search, importance sampling, and hybrids. Across four large-scale sequence datasets from different application domains, as well as for the GPT-2 language model, we demonstrate the ability to make query answering tractable for arbitrary queries in exponentially-large predictive path-spaces, and find clear differences in cost-accuracy tradeoffs between search and sampling methods.
[ Hall J ]

An influential framework within systems neuroscience posits that neural computations can be understood in terms of low-dimensional dynamics in recurrent circuits. A number of methods have thus been developed to extract latent dynamical systems from neural recordings, but inferring models that are both predictive and interpretable remains a difficult challenge. Here we propose a new method called Low-rank Inference from Neural Trajectories (LINT), based on a class of low-rank recurrent neural networks (lrRNNs) for which a link between connectivity and dynamics has been previously demonstrated. By fitting such networks to trajectories of neural activity, LINT yields a mechanistic model of latent dynamics, as well as a set of axes for dimensionality reduction and verifiable predictions for inactivations of specific populations of neurons. Here, we first demonstrate the consistency of our method and apply it to two use cases: (i) we reverse-engineer "black-box" vanilla RNNs trained to perform cognitive tasks, and (ii) we infer latent dynamics and neural contributions from electrophysiological recordings of nonhuman primates performing a similar task.
[ Hall J ]

Amid mounting concern about the reliability and credibility of machine learning research, we present a principled framework for making robust and generalizable claims: the multiverse analysis. Our framework builds upon the multiverse analysis introduced in response to psychology's own reproducibility crisis. To efficiently explore high-dimensional and often continuous ML search spaces, we model the multiverse with a Gaussian Process surrogate and apply Bayesian experimental design. Our framework is designed to facilitate drawing robust scientific conclusions about model performance, and thus our approach focuses on exploration rather than conventional optimization. In the first of two case studies, we investigate disputed claims about the relative merit of adaptive optimizers. Second, we synthesize conflicting research on the effect of learning rate on the large batch training generalization gap. For the machine learning community, the multiverse analysis is a simple and effective technique for identifying robust claims, for increasing transparency, and a step toward improved reproducibility.
[ Hall J ]

Deep neural networks have seen great success in recent years; however, training a deep model is often challenging as its performance heavily depends on the hyper-parameters used. In addition, finding the optimal hyper-parameter configuration, even with state-of-the-art (SOTA) hyper-parameter optimization (HPO) algorithms, can be time-consuming, requiring multiple training runs over the entire datasetfor different possible sets of hyper-parameters. Our central insight is that using an informative subset of the dataset for model training runs involved in hyper-parameter optimization, allows us to find the optimal hyper-parameter configuration significantly faster. In this work, we propose AUTOMATA, a gradient-based subset selection framework for hyper-parameter tuning. We empirically evaluate the effectiveness of AUTOMATA in hyper-parameter tuning through several experiments on real-world datasets in the text, vision, and tabular domains. Our experiments show that using gradient-based data subsets for hyper-parameter tuning achieves significantly faster turnaround times and speedups of 3×-30× while achieving comparable performance to the hyper-parameters found using the entire dataset.
[ Hall J ]
Continual learning is an emerging research challenge in machine learning that addresses the problem where models quickly fit the most recently trained-on data but suffer from catastrophic forgetting of previous data due to distribution shifts --- it does this by maintaining a small historical replay buffer in replay-based methods. To avoid these problems, this paper proposes a method, ``Retrospective Adversarial Replay (RAR)'', that synthesizes adversarial samples near the forgetting boundary. RAR perturbs a buffered sample towards its nearest neighbor drawn from the current task in a latent representation space. By replaying such samples, we are able to refine the boundary between previous and current tasks, hence combating forgetting and reducing bias towards the current task. To mitigate the severity of a small replay buffer, we develop a novel MixUp-based strategy to increase replay variation by replaying mixed augmentations. Combined with RAR, this achieves a holistic framework that helps to alleviate catastrophic forgetting. We show that this excels on broadly-used benchmarks and outperforms other continual learning baselines especially when only a small buffer is available. We conduct a thorough ablation study over each key component as well as a hyperparameter sensitivity analysis to demonstrate the effectiveness and robustness of RAR.
[ Hall J ]

Learning set functions becomes increasingly important in many applications like product recommendation and compound selection in AI-aided drug discovery. The majority of existing works study methodologies of set function learning under the function value oracle, which, however, requires expensive supervision signals. This renders it impractical for applications with only weak supervisions under the Optimal Subset (OS) oracle, the study of which is surprisingly overlooked. In this work, we present a principled yet practical maximum likelihood learning framework, termed as EquiVSet, that simultaneously meets the following desiderata of learning neural set functions under the OS oracle: i) permutation invariance of the set mass function being modeled; ii) permission of varying ground set; iii) minimum prior and iv) scalability. The main components of our framework involve: an energy-based treatment of the set mass function, DeepSet-style architectures to handle permutation invariance, mean-field variational inference, and its amortized variants. Thanks to the delicate combination of these advanced architectures, empirical studies on three real-world applications (including Amazon product recommendation, set anomaly detection, and compound selection for virtual screening) demonstrate that EquiVSet outperforms the baselines by a large margin.
[ Hall J ]
While neural architecture search (NAS) has enabled automated machine learning (AutoML) for well-researched areas, its application to tasks beyond computer vision is still under-explored. As less-studied domains are precisely those where we expect AutoML to have the greatest impact, in this work we study NAS for efficiently solving diverse problems. Seeking an approach that is fast, simple, and broadly applicable, we fix a standard convolutional network (CNN) topology and propose to search for the right kernel sizes and dilations its operations should take on. This dramatically expands the model's capacity to extract features at multiple resolutions for different types of data while only requiring search over the operation space. To overcome the efficiency challenges of naive weight-sharing in this search space, we introduce DASH, a differentiable NAS algorithm that computes the mixture-of-operations using the Fourier diagonalization of convolution, achieving both a better asymptotic complexity and an up-to-10x search time speedup in practice. We evaluate DASH on ten tasks spanning a variety of application domains such as PDE solving, protein folding, and heart disease detection. DASH outperforms state-of-the-art AutoML methods in aggregate, attaining the best-known automated performance on seven tasks. Meanwhile, on six of the ten tasks, the combined search and …
[ Hall J ]

Recently, flat-minima optimizers, which seek to find parameters in low-loss neighborhoods, have been shown to improve a neural network's generalization performance over stochastic and adaptive gradient-based optimizers. Two methods have received significant attention due to their scalability: 1. Stochastic Weight Averaging (SWA), and 2. Sharpness-Aware Minimization (SAM). However, there has been limited investigation into their properties and no systematic benchmarking of them across different domains. We fill this gap here by comparing the loss surfaces of the models trained with each method and through broad benchmarking across computer vision, natural language processing, and graph representation learning tasks. We discover several surprising findings from these results, which we hope will help researchers further improve deep learning optimizers, and practitioners identify the right optimizer for their problem.
[ Hall J ]

[ Hall J ]

Spiking Neural Networks (SNNs) have shown substantial promise in processing spatio-temporal data, mimicking biological neuronal mechanisms, and saving computational power. However, most SNNs use fixed model regardless of their locations in the network. This limits SNNs’ capability of transmitting precise information in the network, which becomes worse for deeper SNNs. Some researchers try to use specified parametric models in different network layers or regions, but most still use preset or suboptimal parameters. Inspired by the neuroscience observation that different neuronal mechanisms exist in disparate brain regions, we propose a new spiking neuronal mechanism, named learnable thresholding, to address this issue. Utilizing learnable threshold values, learnable thresholding enables flexible neuronal mechanisms across layers, proper information flow within the network, and fast network convergence. In addition, we propose a moderate dropout method to serve as an enhancement technique to minimize inconsistencies between independent dropout runs. Finally, we evaluate the robustness of the proposed learnable thresholding and moderate dropout for image classification with different initial thresholds for various types of datasets. Our proposed methods produce superior results compared to other approaches for almost all datasets with fewer timesteps. Our codes are available at https://github.com/sq117/LTMD.git.
[ Hall J ]

We propose a simple but effective source-free domain adaptation (SFDA) method. Treating SFDA as an unsupervised clustering problem and following the intuition that local neighbors in feature space should have more similar predictions than other features, we propose to optimize an objective of prediction consistency. This objective encourages local neighborhood features in feature space to have similar predictions while features farther away in feature space have dissimilar predictions, leading to efficient feature clustering and cluster assignment simultaneously. For efficient training, we seek to optimize an upper-bound of the objective resulting in two simple terms. Furthermore, we relate popular existing methods in domain adaptation, source-free domain adaptation and contrastive learning via the perspective of discriminability and diversity. The experimental results prove the superiority of our method, and our method can be adopted as a simple but strong baseline for future research in SFDA. Our method can be also adapted to source-free open-set and partial-set DA which further shows the generalization ability of our method. Code is available in https://github.com/Albert0147/AaD_SFDA.
[ Hall J ]

Subpopulation shift widely exists in many real-world machine learning applications, referring to the training and test distributions containing the same subpopulation groups but varying in subpopulation frequencies. Importance reweighting is a normal way to handle the subpopulation shift issue by imposing constant or adaptive sampling weights on each sample in the training dataset. However, some recent studies have recognized that most of these approaches fail to improve the performance over empirical risk minimization especially when applied to over-parameterized neural networks. In this work, we propose a simple yet practical framework, called uncertainty-aware mixup (UMIX), to mitigate the overfitting issue in over-parameterized models by reweighting the ''mixed'' samples according to the sample uncertainty. The training-trajectories-based uncertainty estimation is equipped in the proposed UMIX for each sample to flexibly characterize the subpopulation distribution. We also provide insightful theoretical analysis to verify that UMIX achieves better generalization bounds over prior works. Further, we conduct extensive empirical studies across a wide range of tasks to validate the effectiveness of our method both qualitatively and quantitatively. Code is available at https://github.com/TencentAILabHealthcare/UMIX.
[ Hall J ]

Covering option discovery has been developed to improve the exploration of RL in single-agent scenarios with sparse reward signals, through connecting the most distant states in the embedding space provided by the Fiedler vector of the state transition graph. Given that joint state space grows exponentially with the number of agents in multi-agent systems, existing researches still relying on single-agent option discovery either become prohibitive or fail to directly discover joint options that improve the connectivity of the joint state space. In this paper, we show how to directly compute multi-agent options with collaborative exploratory behaviors while still enjoying the ease of decomposition. Our key idea is to approximate the joint state space as a Kronecker graph, based on which we can directly estimate its Fiedler vector using the Laplacian spectrum of individual agents' transition graphs. Further, considering that directly computing the Laplacian spectrum is intractable for tasks with infinite-scale state spaces, we further propose a deep learning extension of our method by estimating eigenfunctions through NN-based representation learning techniques. The evaluation on multi-agent tasks built with simulators like Mujoco, shows that the proposed algorithm can successfully identify multi-agent options, and significantly outperforms the state-of-the-art. Codes are available at: https://github.itap.purdue.edu/Clan-labs/Scalable …
[ Hall J ]

The purpose of multi-task reinforcement learning (MTRL) is to train a single policy that can be applied to a set of different tasks. Sharing parameters allows us to take advantage of the similarities among tasks. However, the gaps between contents and difficulties of different tasks bring us challenges on both which tasks should share the parameters and what parameters should be shared, as well as the optimization challenges due to parameter sharing. In this work, we introduce a parameter-compositional approach (PaCo) as an attempt to address these challenges. In this framework, a policy subspace represented by a set of parameters is learned. Policies for all the single tasks lie in this subspace and can be composed by interpolating with the learned set. It allows not only flexible parameter sharing, but also a natural way to improve training.We demonstrate the state-of-the-art performance on Meta-World benchmarks, verifying the effectiveness of the proposed approach.
[ Hall J ]

The success of deep learning is partly attributed to the availability of massive data downloaded freely from the Internet. However, it also means that users' private data may be collected by commercial organizations without consent and used to train their models. Therefore, it's important and necessary to develop a method or tool to prevent unauthorized data exploitation. In this paper, we propose ConfounderGAN, a generative adversarial network (GAN) that can make personal image data unlearnable to protect the data privacy of its owners. Specifically, the noise produced by the generator for each image has the confounder property. It can build spurious correlations between images and labels, so that the model cannot learn the correct mapping from images to labels in this noise-added dataset. Meanwhile, the discriminator is used to ensure that the generated noise is small and imperceptible, thereby remaining the normal utility of the encrypted image for humans. The experiments are conducted in six image classification datasets, including three natural object datasets and three medical datasets. The results demonstrate that our method not only outperforms state-of-the-art methods in standard settings, but can also be applied to fast encryption scenarios. Moreover, we show a series of transferability and stability experiments …
[ Hall J ]

For deep reinforcement learning (RL) from pixels, learning effective state representations is crucial for achieving high performance. However, in practice, limited experience and high-dimensional inputs prevent effective representation learning. To address this, motivated by the success of mask-based modeling in other research fields, we introduce mask-based reconstruction to promote state representation learning in RL. Specifically, we propose a simple yet effective self-supervised method, Mask-based Latent Reconstruction (MLR), to predict complete state representations in the latent space from the observations with spatially and temporally masked pixels. MLR enables better use of context information when learning state representations to make them more informative, which facilitates the training of RL agents. Extensive experiments show that our MLR significantly improves the sample efficiency in RL and outperforms the state-of-the-art sample-efficient RL methods on multiple continuous and discrete control benchmarks. Our code is available at https://github.com/microsoft/Mask-based-Latent-Reconstruction.
[ Hall J ]

As a dominant paradigm, fine-tuning a pre-trained model on the target data is widely used in many deep learning applications, especially for small data sets. However, recent studies have empirically shown that training from scratch has the final performance that is no worse than this pre-training strategy once the number of training samples is increased in some vision tasks. In this work, we revisit this phenomenon from the perspective of generalization analysis by using excess risk bound which is popular in learning theory. The result reveals that the excess risk bound may have a weak dependency on the pre-trained model. The observation inspires us to leverage pre-training data for fine-tuning, since this data is also available for fine-tuning. The generalization result of using pre-training data shows that the excess risk bound on a target task can be improved when the appropriate pre-training data is included in fine-tuning. With the theoretical motivation, we propose a novel selection strategy to select a subset from pre-training data to help improve the generalization on the target task. Extensive experimental results for image classification tasks on 8 benchmark data sets verify the effectiveness of the proposed data selection based fine-tuning pipeline. Our code is available …
[ Hall J ]

Graph Neural Networks (GNNs) resemble the Weisfeiler-Lehman (1-WL) test, which iteratively update the representation of each node by aggregating information from WL-tree. However, despite the computational superiority of the iterative aggregation scheme, it introduces redundant message flows to encode nodes. We found that the redundancy in message passing prevented conventional GNNs from propagating the information of long-length paths and learning graph similarities. In order to address this issue, we proposed Redundancy-Free Graph Neural Network (RFGNN), in which the information of each path (of limited length) in the original graph is propagated along a single message flow. Our rigorous theoretical analysis demonstrates the following advantages of RFGNN: (1) RFGNN is strictly more powerful than 1-WL; (2) RFGNN efficiently propagate structural information in original graphs, avoiding the over-squashing issue; and (3) RFGNN could capture subgraphs at multiple levels of granularity, and are more likely to encode graphs with closer graph edit distances into more similar representations. The experimental evaluation of graph-level prediction benchmarks confirmed our theoretical assertions, and the performance of the RFGNN can achieve the best results in most datasets.
[ Hall J ]

Despite the success achieved in neural abstractive summarization based on pre-trained language models, one unresolved issue is that the generated summaries are not always faithful to the input document.There are two possible causes of the unfaithfulness problem: (1) the summarization model fails to understand or capture the gist of the input text, and (2) the model over-relies on the language model to generate fluent but inadequate words.In this work, we propose a Faithfulness Enhanced Summarization model (FES), which is designed for addressing these two problems and improving faithfulness in abstractive summarization.For the first problem, we propose to use question-answering (QA) to examine whether the encoder fully grasps the input document and can answer the questions on the key information in the input. The QA attention on the proper input words can also be used to stipulate how the decoder should attend to the source.For the second problem, we introduce a max-margin loss defined on the difference between the language and the summarization model, aiming to prevent the overconfidence of the language model.Extensive experiments on two benchmark summarization datasets, CNN/DM and XSum, demonstrate that our model significantly outperforms strong baselines.The evaluation of factual consistency also shows that our model generates more …
[ Hall J ]

Recognizing out-of-distribution (OOD) samples is critical for machine learning systems deployed in the open world. The vast majority of OOD detection methods are driven by a single modality (e.g., either vision or language), leaving the rich information in multi-modal representations untapped. Inspired by the recent success of vision-language pre-training, this paper enriches the landscape of OOD detection from a single-modal to a multi-modal regime. Particularly, we propose Maximum Concept Matching (MCM), a simple yet effective zero-shot OOD detection method based on aligning visual features with textual concepts. We contribute in-depth analysis and theoretical insights to understand the effectiveness of MCM. Extensive experiments demonstrate that MCM achieves superior performance on a wide variety of real-world tasks. MCM with vision-language features outperforms a common baseline with pure visual features on a hard OOD task with semantically similar classes by 13.1% (AUROC) Code is available at https://github.com/deeplearning-wisc/MCM.
[ Hall J ]

Program synthesis or code generation aims to generate a program that satisfies a problem specification. Recent approaches using large-scale pretrained language models (LMs) have shown promising results, yet they have some critical limitations. In particular, they often follow a standard supervised fine-tuning procedure to train a code generation model from natural language problem descriptions and ground-truth programs only. Such paradigm largely ignores some important but potentially useful signals in the problem specification such as unit tests, which thus results in poor performance when solving complex unseen coding tasks. We propose “CodeRL” to address the limitations, a new framework for program synthesis tasks through pretrained LMs and deep reinforcement learning (RL). Specifically, during training, we treat the code-generating LM as an actor network, and introduce a critic network that is trained to predict the functional correctness of generated programs and provide dense feedback signals to the actor. During inference, we introduce a new generation procedure with a critical sampling strategy that allows a model to automatically regenerate programs based on feedback from example unit tests and critic scores. For the model backbones, we extended the encoder-decoder architecture of CodeT5 with enhanced learning objectives, larger model sizes, and better pretraining data. Our …
[ Hall J ]

Recently, sparse training has emerged as a promising paradigm for efficient deep learning on edge devices. The current research mainly devotes the efforts to reducing training costs by further increasing model sparsity. However, increasing sparsity is not always ideal since it will inevitably introduce severe accuracy degradation at an extremely high sparsity level. This paper intends to explore other possible directions to effectively and efficiently reduce sparse training costs while preserving accuracy. To this end, we investigate two techniques, namely, layer freezing and data sieving. First, the layer freezing approach has shown its success in dense model training and fine-tuning, yet it has never been adopted in the sparse training domain. Nevertheless, the unique characteristics of sparse training may hinder the incorporation of layer freezing techniques. Therefore, we analyze the feasibility and potentiality of using the layer freezing technique in sparse training and find it has the potential to save considerable training costs. Second, we propose a data sieving method for dataset-efficient training, which further reduces training costs by ensuring only a partial dataset is used throughout the entire training process. We show that both techniques can be well incorporated into the sparse training algorithm to form a generic framework, …
[ Hall J ]

[ Hall J ]
Pre-training video transformers on extra large-scale datasets is generally required to achieve premier performance on relatively small datasets. In this paper, we show that video masked autoencoders (VideoMAE) are data-efficient learners for self-supervised video pre-training (SSVP). We are inspired by the recent ImageMAE and propose customized video tube masking with an extremely high ratio. This simple design makes video reconstruction a more challenging and meaningful self-supervision task, thus encouraging extracting more effective video representations during the pre-training process. We obtain three important findings with VideoMAE: (1) An extremely high proportion of masking ratio (i.e., 90% to 95%) still yields favorable performance for VideoMAE. The temporally redundant video content enables higher masking ratio than that of images. (2) VideoMAE achieves impressive results on very small datasets (i.e., around 3k-4k videos) without using any extra data. This is partially ascribed to the challenging task of video reconstruction to enforce high-level structure learning. (3) VideoMAE shows that data quality is more important than data quantity for SSVP. Domain shift between pre-training and target datasets is an important factor. Notably, our VideoMAE with the vanilla ViT backbone can achieve 87.4% on Kinects-400, 75.4% on Something-Something V2, 91.3% on UCF101, and 62.6% on HMDB51, without …
[ Hall J ]
Training a large-scale deep neural network in a large-scale dataset is challenging and time-consuming. The recent breakthrough of large-batch optimization is a promising way to tackle this challenge. However, although the current advanced algorithms such as LARS and LAMB succeed in classification models, the complicated pipelines of dense visual predictions such as object detection and segmentation still suffer from the heavy performance drop in the large-batch training regime. To address this challenge, we propose a simple yet effective algorithm, named Adaptive Gradient Variance Modulator (AGVM), which can train dense visual predictors with very large batch size, enabling several benefits more appealing than prior arts. Firstly, AGVM can align the gradient variances between different modules in the dense visual predictors, such as backbone, feature pyramid network (FPN), detection, and segmentation heads. We show that training with a large batch size can fail with the gradient variances misaligned among them, which is a phenomenon primarily overlooked in previous work. Secondly, AGVM is a plug-and-play module that generalizes well to many different architectures (e.g., CNNs and Transformers) and different tasks (e.g., object detection, instance segmentation, semantic segmentation, and panoptic segmentation). It is also compatible with different optimizers (e.g., SGD and AdamW). Thirdly, a …
[ Hall J ]

Semi-Supervised Video Salient Object Detection (SS-VSOD) is challenging because of the lack of temporal information in video sequences caused by sparse annotations. Most works address this problem by generating pseudo labels for unlabeled data. However, error-prone pseudo labels negatively affect the VOSD model. Therefore, a deeper insight into pseudo labels should be developed. In this work, we aim to explore 1) how to utilize the incorrect predictions in pseudo labels to guide the network to generate more robust pseudo labels and 2) how to further screen out the noise that still exists in the improved pseudo labels. To this end, we propose an Uncertainty-Guided Pseudo Label Generator (UGPLG), which makes full use of inter-frame information to ensure the temporal consistency of the pseudo labels and improves the robustness of the pseudo labels by strengthening the learning of difficult scenarios. Furthermore, we also introduce the adversarial learning to address the noise problems in pseudo labels, guaranteeing the positive guidance of pseudo labels during model training. Experimental results demonstrate that our methods outperform existing semi-supervised method and partial fully-supervised methods across five public benchmarks of DAVIS, FBMS, MCL, ViSal and SegTrack-V2.
[ Hall J ]

Pre-training vision-language models with contrastive objectives has shown promising results that are both scalable to large uncurated datasets and transferable to many downstream applications. Some following works have targeted to improve data efficiency by adding self-supervision terms, but inter-domain (image-text) contrastive loss and intra-domain (image-image) contrastive loss are defined on individual spaces in those works, so many feasible combinations of supervision are overlooked. To overcome this issue, we propose UniCLIP, a Unified framework for Contrastive Language-Image Pre-training. UniCLIP integrates the contrastive loss of both inter-domain pairs and intra-domain pairs into a single universal space. The discrepancies that occur when integrating contrastive loss between different domains are resolved by the three key components of UniCLIP: (1) augmentation-aware feature embedding, (2) MP-NCE loss, and (3) domain dependent similarity measure. UniCLIP outperforms previous vision-language pre-training methods on various single- and multi-modality downstream tasks. In our experiments, we show that each component that comprises UniCLIP contributes well to the final performance.
[ Hall J ]

Capitalizing on the recent advances in image generation models, existing controllable face image synthesis methods are able to generate high-fidelity images with some levels of controllability, e.g., controlling the shapes, expressions, textures, and poses of the generated face images. However, these methods focus on 2D image generative models, which are prone to producing inconsistent face images under large expression and pose changes. In this paper, we propose a new NeRF-based conditional 3D face synthesis framework, which enables 3D controllability over the generated face images by imposing explicit 3D conditions from 3D face priors. At its core is a conditional Generative Occupancy Field (cGOF) that effectively enforces the shape of the generated face to commit to a given 3D Morphable Model (3DMM) mesh. To achieve accurate control over fine-grained 3D face shapes of the synthesized image, we additionally incorporate a 3D landmark loss as well as a volume warping loss into our synthesis algorithm. Experiments validate the effectiveness of the proposed method, which is able to generate high-fidelity face images and shows more precise 3D controllability than state-of-the-art 2D-based controllable face synthesis methods.
[ Hall J ]
Surface reconstruction for point clouds is an important task in 3D computer vision. Most of the latest methods resolve this problem by learning signed distance functions (SDF) from point clouds, which are limited to reconstructing shapes or scenes with closed surfaces. Some other methods tried to represent shapes or scenes with open surfaces using unsigned distance functions (UDF) which are learned from large scale ground truth unsigned distances. However, the learned UDF is hard to provide smooth distance fields near the surface due to the noncontinuous character of point clouds. In this paper, we propose a novel method to learn consistency-aware unsigned distance functions directly from raw point clouds. We achieve this by learning to move 3D queries to reach the surface with a field consistency constraint, where we also enable to progressively estimate a more accurate surface. Specifically, we train a neural network to gradually infer the relationship between 3D queries and the approximated surface by searching for the moving target of queries in a dynamic way, which results in a consistent field around the surface. Meanwhile, we introduce a polygonization algorithm to extract surfaces directly from the gradient field of the learned UDF. The experimental results in surface …
[ Hall J ]
Cross-domain few-shot learning (CD-FSL) has drawn increasing attention for handling large differences between the source and target domains--an important concern in real-world scenarios. To overcome these large differences, recent works have considered exploiting small-scale unlabeled data from the target domain during the pre-training stage. This data enables self-supervised pre-training on the target domain, in addition to supervised pre-training on the source domain. In this paper, we empirically investigate which pre-training is preferred based on domain similarity and few-shot difficulty of the target domain. We discover that the performance gain of self-supervised pre-training over supervised pre-training becomes large when the target domain is dissimilar to the source domain, or the target domain itself has low few-shot difficulty. We further design two pre-training schemes, mixed-supervised and two-stage learning, that improve performance. In this light, we present six findings for CD-FSL, which are supported by extensive experiments and analyses on three source and eight target benchmark datasets with varying levels of domain similarity and few-shot difficulty. Our code is available at https://github.com/sungnyun/understanding-cdfsl.
[ Hall J ]

We propose Okapi, a simple, efficient, and general method for robust semi-supervised learning based on online statistical matching. Our method uses a nearest-neighbours-based matching procedure to generate cross-domain views for a consistency loss, while eliminating statistical outliers. In order to perform the online matching in a runtime- and memory-efficient way, we draw upon the self-supervised literature and combine a memory bank with a slow-moving momentum encoder. The consistency loss is applied within the feature space, rather than on the predictive distribution, making the method agnostic to both the modality and the task in question. We experiment on the WILDS 2.0 datasets Sagawa et al., which significantly expands the range of modalities, applications, and shifts available for studying and benchmarking real-world unsupervised adaptation. Contrary to Sagawa et al., we show that it is in fact possible to leverage additional unlabelled data to improve upon empirical risk minimisation (ERM) results with the right method. Our method outperforms the baseline methods in terms of out-of-distribution (OOD) generalisation on the iWildCam (a multi-class classification task) and PovertyMap (a regression task) image datasets as well as the CivilComments (a binary classification task) text dataset. Furthermore, from a qualitative perspective, we show the matches obtained from …
[ Hall J ]

Despite strong empirical performance for image classification, deep neural networks are often regarded as ``black boxes'' and they are difficult to interpret. On the other hand, sparse convolutional models, which assume that a signal can be expressed by a linear combination of a few elements from a convolutional dictionary, are powerful tools for analyzing natural images with good theoretical interpretability and biological plausibility. However, such principled models have not demonstrated competitive performance when compared with empirically designed deep networks. This paper revisits the sparse convolutional modeling for image classification and bridges the gap between good empirical performance (of deep learning) and good interpretability (of sparse convolutional models). Our method uses differentiable optimization layers that are defined from convolutional sparse coding as drop-in replacements of standard convolutional layers in conventional deep neural networks. We show that such models have equally strong empirical performance on CIFAR-10, CIFAR-100 and ImageNet datasets when compared to conventional neural networks. By leveraging stable recovery property of sparse modeling, we further show that such models can be much more robust to input corruptions as well as adversarial perturbations in testing through a simple proper trade-off between sparse regularization and data reconstruction terms.
[ Hall J ]

The vulnerability of deep neural networks has been widely found in various models as well as tasks where slight perturbations on the inputs could lead to incorrect predictions. These perturbed inputs are known as adversarial examples and one of the intriguing properties of them is Adversarial Transfersability, i.e. the capability of adversarial examples to fool other models. Traditionally, this transferability is always regarded as a critical threat to the defense against adversarial attacks, however, we argue that the network robustness can be significantly boosted by utilizing adversarial transferability from a new perspective. In this work, we first discuss the influence of different popular normalization layers on the adversarial transferability, and then provide both empirical evidence and theoretical analysis to shed light on the relationship between normalization types and transferability. Based on our theoretical analysis, we propose a simple yet effective module named Random Normalization Aggregation (RNA) which replaces the batch normalization layers in the networks and aggregates different selected normalization types to form a huge random space. Specifically, a random path is sampled during each inference procedure so that the network itself can be treated as an ensemble of a wide range of different models. Since the entire random space …
[ Hall J ]

[ Hall J ]

[ Hall J ]

Pretrained language models (LMs) are susceptible to generate text with nonfactual information. In this work, we measure and improve the factual accuracy of large-scale LMs for open-ended text generation. We design the FactualityPrompts test set and metrics to measure the factuality of LM generations. Based on that, we study the factual accuracy of LMs with parameter sizes ranging from 126M to 530B. Interestingly, we find that larger LMs are more factual than smaller ones, although a previous study suggests that larger LMs can be less truthful in terms of misconceptions. In addition, popular sampling algorithms (e.g., top-p) in open-ended text generation can harm the factuality due to the ``uniform randomness'' introduced at every sampling step. We propose the factual-nucleus sampling algorithm that dynamically adapts the randomness to improve the factuality of generation while maintaining quality. Furthermore, we analyze the inefficiencies of the standard training method in learning correct associations between entities from factual text corpus (e.g., Wikipedia). We propose a factuality-enhanced training method that uses TopicPrefix for better awareness of facts and sentence completion as the training objective, which can vastly reduce the factual errors.
[ Hall J ]

When answering a question, humans utilize the information available across different modalities to synthesize a consistent and complete chain of thought (CoT). This process is normally a black box in the case of deep learning models like large-scale language models. Recently, science question benchmarks have been used to diagnose the multi-hop reasoning ability and interpretability of an AI system. However, existing datasets fail to provide annotations for the answers, or are restricted to the textual-only modality, small scales, and limited domain diversity. To this end, we present Science Question Answering (ScienceQA), a new benchmark that consists of ~21k multimodal multiple choice questions with a diverse set of science topics and annotations of their answers with corresponding lectures and explanations. We further design language models to learn to generate lectures and explanations as the chain of thought (CoT) to mimic the multi-hop reasoning process when answering ScienceQA questions. ScienceQA demonstrates the utility of CoT in language models, as CoT improves the question answering performance by 1.20% in few-shot GPT-3 and 3.99% in fine-tuned UnifiedQA. We also explore the upper bound for models to leverage explanations by feeding those in the input; we observe that it improves the few-shot performance of GPT-3 …
[ Hall J ]
Audio-visual source localization is a challenging task that aims to predict the location of visual sound sources in a video. Since collecting ground-truth annotations of sounding objects can be costly, a plethora of weakly-supervised localization methods that can learn from datasets with no bounding-box annotations have been proposed in recent years, by leveraging the natural co-occurrence of audio and visual signals. Despite significant interest, popular evaluation protocols have two major flaws. First, they allow for the use of a fully annotated dataset to perform early stopping, thus significantly increasing the annotation effort required for training. Second, current evaluation metrics assume the presence of sound sources at all times. This is of course an unrealistic assumption, and thus better metrics are necessary to capture the model's performance on (negative) samples with no visible sound sources. To accomplish this, we extend the test set of popular benchmarks, Flickr SoundNet and VGG-Sound Sources, in order to include negative samples, and measure performance using metrics that balance localization accuracy and recall. Using the new protocol, we conducted an extensive evaluation of prior methods, and found that most prior works are not capable of identifying negatives and suffer from significant overfitting problems (rely heavily on …
[ Hall J ]
There is growing interest in concept-based models (CBMs) that combine high-performance and interpretability by acquiring and reasoning with a vocabulary of high-level concepts. A key requirement is that the concepts be interpretable. Existing CBMs tackle this desideratum using a variety of heuristics based on unclear notions of interpretability, and fail to acquire concepts with the intended semantics. We address this by providing a clear definition of interpretability in terms of alignment between the model’s representation and an underlying data generation process, and introduce GlanceNets, a new CBM that exploits techniques from disentangled representation learning and open-set recognition to achieve alignment, thus improving the interpretability of the learned concepts. We show that GlanceNets, paired with concept-level supervision, achieve better alignment than state-of-the-art approaches while preventing spurious information from unintendedly leaking into the learned concepts.
[ Hall J ]

We propose and analyse a novel statistical procedure, coined AgraSSt, to assess the quality of graph generators which may not be available in explicit forms. In particular, AgraSSt can be used to determine whether a learned graph generating process is capable of generating graphs which resemble a given input graph. Inspired by Stein operators for random graphs, the key idea of AgraSSt is the construction of a kernel discrepancy based on an operator obtained from the graph generator. AgraSSt can provide interpretable criticisms for a graph generator training procedure and help identify reliable sample batches for downstream tasks. We give theoretical guarantees for a broad class of random graph models. Moreover, we provide empirical results on both synthetic input graphs with known graph generation procedures, and real-world input graphs that the state-of-the-art (deep) generative models for graphs are trained on.
[ Hall J ]
Research in Neuroscience, as in many scientific disciplines, is undergoing a renaissance based on deep learning. Unique to Neuroscience, deep learning models can be used not only as a tool but interpreted as models of the brain. The central claims of recent deep learning-based models of brain circuits are that they make novel predictions about neural phenomena or shed light on the fundamental functions being optimized. We show, through the case-study of grid cells in the entorhinal-hippocampal circuit, that one may get neither. We begin by reviewing the principles of grid cell mechanism and function obtained from first-principles modeling efforts, then rigorously examine the claims of deep learning models of grid cells. Using large-scale architectural and hyperparameter sweeps and theory-driven experimentation, we demonstrate that the results of such models may be more strongly driven by particular, non-fundamental, and post-hoc implementation choices than fundamental truths about neural circuits or the loss function(s) they might optimize. We discuss why these models cannot be expected to produce accurate models of the brain without the addition of substantial amounts of inductive bias, an informal No Free Lunch result for Neuroscience. Based on first principles work, we provide hypotheses for what additional loss functions will …
[ Hall J ]

We focus on the task of creating a reinforcement learning agent that is inherently explainable---with the ability to produce immediate local explanations by thinking out loud while performing a task and analyzing entire trajectories post-hoc to produce temporally extended explanations. This Hierarchically Explainable Reinforcement Learning agent (HEX-RL), operates in Interactive Fictions, text-based game environments in which an agent perceives and acts upon the world using textual natural language. These games are usually structured as puzzles or quests with long-term dependencies in which an agent must complete a sequence of actions to succeed---providing ideal environments in which to test an agent's ability to explain its actions. Our agent is designed to treat explainability as a first-class citizen, using an extracted symbolic knowledge graph-based state representation coupled with a Hierarchical Graph Attention mechanism that points to the facts in the internal graph representation that most influenced the choice of actions. Experiments show that this agent provides significantly improved explanations over strong baselines, as rated by human participants generally unfamiliar with the environment, while also matching state-of-the-art task performance.
[ Hall J ]

Neural Architecture Search (NAS) has significantly improved productivity in the design and deployment of neural networks (NN). As NAS typically evaluates multiple models by training them partially or completely, the improved productivity comes at the cost of significant carbon footprint. To alleviate this expensive training routine, zero-shot/cost proxies analyze an NN at initialization to generate a score, which correlates highly with its true accuracy. Zero-cost proxies are currently designed by experts conducting multiple cycles of empirical testing on possible algorithms, datasets, and neural architecture design spaces. This experimentation lowers productivity and is an unsustainable approach towards zero-cost proxy design as deep learning use-cases diversify in nature. Additionally, existing zero-cost proxies fail to generalize across neural architecture design spaces. In this paper, we propose a genetic programming framework to automate the discovery of zero-cost proxies for neural architecture scoring. Our methodology efficiently discovers an interpretable and generalizable zero-cost proxy that gives state of the art score-accuracy correlation on all datasets and search spaces of NASBench-201 and Network Design Spaces (NDS). We believe that this research indicates a promising direction towards automatically discovering zero-cost proxies that can work across network architecture design spaces, datasets, and tasks.
[ Hall J ]
Model-based offline reinforcement learning approaches generally rely on bounds of model error. Estimating these bounds is usually achieved through uncertainty estimation methods. In this work, we combine parametric and nonparametric methods for uncertainty estimation through a novel latent space based metric. In particular, we build upon recent advances in Riemannian geometry of generative models to construct a pullback metric of an encoder-decoder based forward model. Our proposed metric measures both the quality of out-of-distribution samples as well as the discrepancy of examples in the data. We leverage our combined method for uncertainty estimation in a pessimistic model-based framework, showing a significant improvement upon contemporary model-based offline approaches on continuous control and autonomous driving benchmarks.
[ Hall J ]

Belanger & McCallum (2016) and Gygli et al. (2017) have shown that an energy network can capture arbitrary dependencies amongst the output variables in structured prediction; however, their reliance on gradient-based inference (GBI) makes the inference slow and unstable. In this work, we propose Structured Energy As Loss (SEAL) to take advantage of the expressivity of energy networks without incurring the high inference cost. This is a novel learning framework that uses an energy network as a trainable loss function (loss-net) to train a separate neural network (task-net), which is then used to perform the inference through a forward pass. We establish SEAL as a general framework wherein various learning strategies like margin-based, regression, and noise-contrastive, could be employed to learn the parameters of loss-net. Through extensive evaluation on multi-label classification, semantic role labeling, and image segmentation, we demonstrate that SEAL provides various useful design choices, is faster at inference than GBI, and leads to significant performance gains over the baselines.
[ Hall J (level 1) ]

Abstract
Collaborative Metric Learning (CML) has recently emerged as a popular method in recommendation systems (RS), closing the gap between metric learning and Collaborative Filtering. Following the convention of RS, existing methods exploit unique user representation in their model design. This paper focuses on a challenging scenario where a user has multiple categories of interests. Under this setting, we argue that the unique user representation might induce preference bias, especially when the item category distribution is imbalanced. To address this issue, we propose a novel method called Diversity-Promoting Collaborative Metric Learning (DPCML), with the hope of considering the commonly ignored minority interest of the user. The key idea behind DPCML is to include a multiple set of representations for each user in the system. Based on this embedding paradigm, user preference toward an item is aggregated from different embeddings by taking the minimum item-user distance among the user embedding set. Furthermore, we observe that the diversity of the embeddings for the same user also plays an essential role in the model. To this end, we propose a diversity control regularization term to accommodate the multi-vector representation strategy better. Theoretically, we show that DPCML could generalize well to unseen test data by …
[ Hall J ]

Modern deep neural networks (DNNs) have achieved state-of-the-art performances but are typically over-parameterized. The over-parameterization may result in undesirably large generalization error in the absence of other customized training strategies. Recently, a line of research under the name of Sharpness-Aware Minimization (SAM) has shown that minimizing a sharpness measure, which reflects the geometry of the loss landscape, can significantly reduce the generalization error. However, SAM-like methods incur a two-fold computational overhead of the given base optimizer (e.g. SGD) for approximating the sharpness measure. In this paper, we propose Sharpness-Aware Training for Free, or SAF, which mitigates the sharp landscape at almost zero additional computational cost over the base optimizer. Intuitively, SAF achieves this by avoiding sudden drops in the loss in the sharp local minima throughout the trajectory of the updates of the weights. Specifically, we suggest a novel trajectory loss, based on the KL-divergence between the outputs of DNNs with the current weights and past weights, as a replacement of the SAM's sharpness measure. This loss captures the rate of change of the training loss along the model's update trajectory. By minimizing it, SAF ensures the convergence to a flat minimum with improved generalization capabilities. Extensive empirical results show …
[ Hall J ]
The Differentiable ARchiTecture Search (DARTS) has dominated the neural architecture search community due to its search efficiency and simplicity. DARTS leverages continuous relaxation to convert the intractable operation selection problem into a continuous magnitude optimization problem which can be easily handled with gradient-descent, while it poses an additional challenge in measuring the operation importance or selecting an architecture from the optimized magnitudes. The vanilla DARTS assumes the optimized magnitudes reflect the importance of operations, while more recent works find this naive assumption leads to poor generalization and is without any theoretical guarantees. In this work, we leverage influence functions, the functional derivatives of the loss function, to theoretically reveal the operation selection part in DARTS and estimate the candidate operation importance by approximating its influence on the supernet with Taylor expansions. We show the operation strength is not only related to the magnitude but also second-order information, leading to a fundamentally new criterion for operation selection in DARTS, named Influential Magnitude. Empirical studies across different tasks on several spaces show that vanilla DARTS and its variants can avoid most failures by leveraging the proposed theory-driven operation selection criterion.
[ Hall J ]

We study the problem of scalable design of Error-Correcting Output Codes (ECOC) for multi-class classification. Prior works on ECOC-based classifiers are limited to codebooks with small number of rows (classes) or columns, and do not provide optimality guarantees for the codebook design problem. We address these limitations by developing a codebook design approach based on a Mixed-Integer Quadratically Constrained Program (MIQCP). This discrete formulation is naturally suited for maximizing the error-correction capability of ECOC-based classifiers and incorporates various design criteria in a flexible manner. Our solution approach is tractable in that it incrementally increases the codebook size by adding columns to maximize the gain in error-correcting capability. In particular, we show that the maximal gain in error-correction can be upper bounded by solving a graph-coloring problem. As a result, we can efficiently generate near-optimal codebooks for very large problem instances. These codebooks provide competitive multi-class classification performance on small class datasets such as MNIST and CIFAR10. Moreover, by leveraging transfer-learned binary classifiers, we achieve better classification performance over transfer-learned multi-class CNNs on large class datasets such as CIFAR100, Caltech-101/256. Our results highlight the advantages of simple and modular ECOC-based classifiers in improving classification accuracy without the risk of overfitting.
[ Hall J ]
Considering the ever-increasing scale of data, which may contain tens of thousands of data points or complicated latent structures, the issue of scalability and algorithmic efficiency becomes of vital importance for clustering. In this paper, we propose cluster-wise amortized mixing coupling processes (AMCP), which is able to achieve efficient amortized clustering in a well-defined non-parametric Bayesian posterior. Specifically, AMCP learns clusters sequentially with the aid of the proposed intra-cluster mixing (IntraCM) and inter-cluster coupling (InterCC) strategies, which investigate the relationship between data points and reference distribution in a linear optimal transport mixing view, and coupling the unassigned set and assigned set to generate new cluster. IntraCM and InterCC avoid pairwise calculation of distances between clusters and reduce the computational complexity from quadratic to linear in the current number of clusters. Furthermore, cluster-wise sequential process is able to improve the quick adaptation ability for the next cluster generation. In this case, AMCP simultaneously learns what makes a cluster, how to group data points into clusters, and how to adaptively control the number of clusters. To illustrate the superiority of the proposed method, we perform experiments on both synthetic data and real-world data in terms of clustering performance and computational efficiency. The …
[ Hall J ]

Graph Neural Networks (GNNs) and Graph Kernels (GKs) are two fundamental tools used to analyze graph-structured data. Efforts have been recently made in developing a composite graph learning architecture combining the expressive power of GNNs and the transparent trainability of GKs. However, learning efficiency on these models should be carefully considered as the huge computation overhead. Besides, their convolutional methods are often straightforward and introduce severe loss of graph structure information. In this paper, we design a novel quantum graph learning model to characterize the structural information while using quantum parallelism to improve computing efficiency. Specifically, a quantum algorithm is proposed to approximately estimate the neural tangent kernel of the underlying graph neural network where a multi-head quantum attention mechanism is introduced to properly incorporate semantic similarity information of nodes into the model. We empirically show that our method achieves competitive performance on several graph classification benchmarks, and theoretical analysis is provided to demonstrate the superiority of our quantum algorithm. Source code is available at \url{https://github.com/abel1231/graphQNTK}.
[ Hall J ]
[ Hall J ]

Recent developments in monocular multi-object tracking have been very successful in tracking visible objects and bridging short occlusion gaps, mainly relying on data-driven appearance models. While significant advancements have been made in short-term tracking performance, bridging longer occlusion gaps remains elusive: state-of-the-art object trackers only bridge less than 10% of occlusions longer than three seconds. We suggest that the missing key is reasoning about future trajectories over a longer time horizon. Intuitively, the longer the occlusion gap, the larger the search space for possible associations. In this paper, we show that even a small yet diverse set of trajectory predictions for moving agents will significantly reduce this search space and thus improve long-term tracking robustness. Our experiments suggest that the crucial components of our approach are reasoning in a bird's-eye view space and generating a small yet diverse set of forecasts while accounting for their localization uncertainty. This way, we can advance state-of-the-art trackers on the MOTChallenge dataset and significantly improve their long-term tracking performance. This paper's source code and experimental data are available at https://github.com/dendorferpatrick/QuoVadis.
[ Hall J ]
Visual domain adaptation (DA) seeks to transfer trained models to unseen, unlabeled domains across distribution shift, but approaches typically focus on adapting convolutional neural network architectures initialized with supervised ImageNet representations. In this work, we shift focus to adapting modern architectures for object recognition -- the increasingly popular Vision Transformer (ViT) -- initialized with modern pretraining based on self-supervised learning (SSL). Inspired by the design of recent SSL approaches based on learning from partial image inputs generated via masking or cropping -- either by learning to predict the missing pixels, or learning representational invariances to such augmentations -- we propose PACMAC, a two-stage adaptation algorithm for self-supervised ViTs. PACMAC first performs in-domain SSL on pooled source and target data to learn task-discriminative features, and then probes the model's predictive consistency across a set of partial target inputs generated via a novel attention-conditioned masking strategy, to identify reliable candidates for self-training. Our simple approach leads to consistent performance gains over competing methods that use ViTs and self-supervised initializations on standard object recognition benchmarks. Our code is available at https://github.com/virajprabhu/PACMAC.
[ Hall J ]
Forecasting complex time series is ubiquitous and vital in a range of applications but challenging. Recent advances endeavor to achieve progress by incorporating various deep learning techniques (e.g., RNN and Transformer) into sequential models. However, clear patterns are still hard to extract since time series are often composed of several intricately entangled components. Motivated by the success of disentangled variational autoencoder in computer vision and classical time series decomposition, we plan to infer a couple of representations that depict seasonal and trend components of time series. To achieve this goal, we propose LaST, which, based on variational inference, aims to disentangle the seasonal-trend representations in the latent space. Furthermore, LaST supervises and disassociates representations from the perspectives of themselves and input reconstruction, and introduces a series of auxiliary objectives. Extensive experiments prove that LaST achieves state-of-the-art performance on time series forecasting task against the most advanced representation learning and end-to-end forecasting models. For reproducibility, our implementation is publicly available on Github.
[ Hall J ]

Pluralistic image completion focuses on generating both visually realistic and diverse results for image completion. Prior methods enjoy the empirical successes of this task. However, their used constraints for pluralistic image completion are argued to be not well interpretable and unsatisfactory from two aspects. First, the constraints for visual reality can be weakly correlated to the objective of image completion or even redundant. Second, the constraints for diversity are designed to be task-agnostic, which causes the constraints to not work well. In this paper, to address the issues, we propose an end-to-end probabilistic method. Specifically, we introduce a unified probabilistic graph model that represents the complex interactions in image completion. The entire procedure of image completion is then mathematically divided into several sub-procedures, which helps efficient enforcement of constraints. The sub-procedure directly related to pluralistic results is identified, where the interaction is established by a Gaussian mixture model (GMM). The inherent parameters of GMM are task-related, which are optimized adaptively during training, while the number of its primitives can control the diversity of results conveniently. We formally establish the effectiveness of our method and demonstrate it with comprehensive experiments. The implementationis available at https://github.com/tmllab/PICMM.
[ Hall J ]

Referring image segmentation aims at localizing all pixels of the visual objects described by a natural language sentence. Previous works learn to straightforwardly align the sentence embedding and pixel-level embedding for highlighting the referred objects, but ignore the semantic consistency of pixels within the same object, leading to incomplete masks and localization errors in predictions. To tackle this problem, we propose CoupAlign, a simple yet effective multi-level visual-semantic alignment method, to couple sentence-mask alignment with word-pixel alignment to enforce object mask constraint for achieving more accurate localization and segmentation. Specifically, the Word-Pixel Alignment (WPA) module performs early fusion of linguistic and pixel-level features in intermediate layers of the vision and language encoders. Based on the word-pixel aligned embedding, a set of mask proposals are generated to hypothesize possible objects. Then in the Sentence-Mask Alignment (SMA) module, the masks are weighted by the sentence embedding to localize the referred object, and finally projected back to aggregate the pixels for the target. To further enhance the learning of the two alignment modules, an auxiliary loss is designed to contrast the foreground and background pixels. By hierarchically aligning pixels and masks with linguistic features, our CoupAlign captures the pixel coherence at both visual …
[ Hall J ]
Most of the existing algorithms for zero-shot classification problems typically rely on the attribute-based semantic relations among categories to realize the classification of novel categories without observing any of their instances. However, training the zero-shot classification models still requires attribute labeling for each class (or even instance) in the training dataset, which is also expensive. To this end, in this paper, we bring up a new problem scenario: ''Can we derive zero-shot learning for novel attribute detectors/classifiers and use them to automatically annotate the dataset for labeling efficiency?'' Basically, given only a small set of detectors that are learned to recognize some manually annotated attributes (i.e., the seen attributes), we aim to synthesize the detectors of novel attributes in a zero-shot learning manner. Our proposed method, Zero-Shot Learning for Attributes (ZSLA), which is the first of its kind to the best of our knowledge, tackles this new research problem by applying the set operations to first decompose the seen attributes into their basic attributes and then recombine these basic attributes into the novel ones. Extensive experiments are conducted to verify the capacity of our synthesized detectors for accurately capturing the semantics of the novel attributes and show their superior performance …
[ Hall J ]
Graph few-shot learning is of great importance among various graph learning tasks. Under the few-shot scenario, models are often required to conduct classification given limited labeled samples. Existing graph few-shot learning methods typically leverage Graph Neural Networks (GNNs) and perform classification across a series of meta-tasks. Nevertheless, these methods generally rely on the original graph (i.e., the graph that the meta-task is sampled from) to learn node representations. Consequently, the learned representations for the same nodes are identical in all meta-tasks. Since the class sets are different across meta-tasks, node representations should be task-specific to promote classification performance. Therefore, to adaptively learn node representations across meta-tasks, we propose a novel framework that learns a task-specific structure for each meta-task. To handle the variety of nodes across meta-tasks, we extract relevant nodes and learn task-specific structures based on node influence and mutual information. In this way, we can learn node representations with the task-specific structure tailored for each meta-task. We further conduct extensive experiments on five node classification datasets under both single- and multiple-graph settings to validate the superiority of our framework over the state-of-the-art baselines.
[ Hall J ]

Graph contrastive learning (GCL), leveraging graph augmentations to convert graphs into different views and further train graph neural networks (GNNs), has achieved considerable success on graph benchmark datasets. Yet, there are still some gaps in directly applying existing GCL methods to real-world data. First, handcrafted graph augmentations require trials and errors, but still can not yield consistent performance on multiple tasks. Second, most real-world graph data present class-imbalanced distribution but existing GCL methods are not immune to data imbalance. Therefore, this work proposes to explicitly tackle these challenges, via a principled framework called \textit{\textbf{C}o-\textbf{M}odality \textbf{G}raph \textbf{C}ontrastive \textbf{L}earning} (\textbf{CM-GCL}) to automatically generate contrastive pairs and further learn balanced representation over unlabeled data. Specifically, we design inter-modality GCL to automatically generate contrastive pairs (e.g., node-text) based on rich node content. Inspired by the fact that minority samples can be ``forgotten'' by pruning deep neural networks, we naturally extend network pruning to our GCL framework for mining minority nodes. Based on this, we co-train two pruned encoders (e.g., GNN and text encoder) in different modalities by pushing the corresponding node-text pairs together and the irrelevant node-text pairs away. Meanwhile, we propose intra-modality GCL by co-training non-pruned GNN and pruned GNN, to ensure node …
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Recommender systems (RS) have to select the top-N items from a massive item set. For the sake of efficient recommendation, RS usually represents user and item as latent embeddings, and relies on approximate nearest neighbour search (ANNs) to retrieve the recommendation result. Despite the reduction of running time, the representation learning is independent of ANNs index construction; thus, the two operations can be incompatible, which results in potential loss of recommendation accuracy. To overcome the above problem, we propose the Recommender Forest (a.k.a., RecForest), which jointly learns latent embedding and index for efficient and high-fidelity recommendation. RecForest consists of multiple k-ary trees, each of which is a partition of the item set via hierarchical balanced clustering such that each item is uniquely represented by a path from the root to a leaf. Given such a data structure, an encoder-decoder based routing network is developed: it first encodes the context, i.e., user information, into hidden states; then, leveraging a transformer-based decoder, it identifies the top-N items via beam search. Compared with the existing methods, RecForest brings in the following advantages: 1) the false partition of the boundary items can be effectively alleviated by the use of multiple trees; 2) the routing …
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We show that label noise exists in adversarial training. Such label noise is due to the mismatch between the true label distribution of adversarial examples and the label inherited from clean examples – the true label distribution is distorted by the adversarial perturbation, but is neglected by the common practice that inherits labels from clean examples. Recognizing label noise sheds insights on the prevalence of robust overfitting in adversarial training, and explains its intriguing dependence on perturbation radius and data quality. Also, our label noise perspective aligns well with our observations of the epoch-wise double descent in adversarial training. Guided by our analyses, we proposed a method to automatically calibrate the label to address the label noise and robust overfitting. Our method achieves consistent performance improvements across various models and datasets without introducing new hyper-parameters or additional tuning.
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Randomized smoothing is one of the most promising frameworks for certifying the adversarial robustness of machine learning models, including Graph Neural Networks (GNNs). Yet, existing randomized smoothing certificates for GNNs are overly pessimistic since they treat the model as a black box, ignoring the underlying architecture. To remedy this, we propose novel gray-box certificates that exploit the message-passing principle of GNNs: We randomly intercept messages and carefully analyze the probability that messages from adversarially controlled nodes reach their target nodes. Compared to existing certificates, we certify robustness to much stronger adversaries that control entire nodes in the graph and can arbitrarily manipulate node features. Our certificates provide stronger guarantees for attacks at larger distances, as messages from farther-away nodes are more likely to get intercepted. We demonstrate the effectiveness of our method on various models and datasets. Since our gray-box certificates consider the underlying graph structure, we can significantly improve certifiable robustness by applying graph sparsification.
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Federated Learning allows the training of machine learning models by using the computation and private data resources of many distributed clients. Most existing results on Federated Learning (FL) assume the clients have ground-truth labels. However, in many practical scenarios, clients may be unable to label task-specific data due to a lack of expertise or resource. We propose SemiFL to address the problem of combining communication-efficient FL such as FedAvg with Semi-Supervised Learning (SSL). In SemiFL, clients have completely unlabeled data and can train multiple local epochs to reduce communication costs, while the server has a small amount of labeled data. We provide a theoretical understanding of the success of data augmentation-based SSL methods to illustrate the bottleneck of a vanilla combination of communication-efficient FL with SSL. To address this issue, we propose alternate training to 'fine-tune global model with labeled data' and 'generate pseudo-labels with the global model.' We conduct extensive experiments and demonstrate that our approach significantly improves the performance of a labeled server with unlabeled clients training with multiple local epochs. Moreover, our method outperforms many existing SSFL baselines and performs competitively with the state-of-the-art FL and SSL results.
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Graph Neural Networks (GNNs) have emerged as powerful tools to encode graph-structured data. Due to their broad applications, there is an increasing need to develop tools to explain how GNNs make decisions given graph-structured data. Existing learning-based GNN explanation approaches are task-specific in training and hence suffer from crucial drawbacks. Specifically, they are incapable of producing explanations for a multitask prediction model with a single explainer. They are also unable to provide explanations in cases where the GNN is trained in a self-supervised manner, and the resulting representations are used in future downstream tasks. To address these limitations, we propose a Task-Agnostic GNN Explainer (TAGE) that is independent of downstream models and trained under self-supervision with no knowledge of downstream tasks. TAGE enables the explanation of GNN embedding models with unseen downstream tasks and allows efficient explanation of multitask models. Our extensive experiments show that TAGE can significantly speed up the explanation efficiency by using the same model to explain predictions for multiple downstream tasks while achieving explanation quality as good as or even better than current state-of-the-art GNN explanation approaches.
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While implicit representations have achieved high-fidelity results in 3D rendering, it remains challenging to deforming and animating the implicit field. Existing works typically leverage data-dependent models as deformation priors, such as SMPL for human body animation. However, this dependency on category-specific priors limits them to generalize to other objects. To solve this problem, we propose a novel framework for deforming and animating the neural radiance field learned on \textit{arbitrary} objects. The key insight is that we introduce a cage-based representation as deformation prior, which is category-agnostic. Specifically, the deformation is performed based on an enclosing polygon mesh with sparsely defined vertices called \textit{cage} inside the rendering space, where each point is projected into a novel position based on the barycentric interpolation of the deformed cage vertices. In this way, we transform the cage into a generalized constraint, which is able to deform and animate arbitrary target objects while preserving geometry details. Based on extensive experiments, we demonstrate the effectiveness of our framework in the task of geometry editing, object animation and deformation transfer.
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Episodic count has been widely used to design a simple yet effective intrinsic motivation for reinforcement learning with a sparse reward. However, the use of episodic count in a high-dimensional state space as well as over a long episode time requires a thorough state compression and fast hashing, which hinders rigorous exploitation of it in such hard and complex exploration environments. Moreover, the interference from task-irrelevant observations in the episodic count may cause its intrinsic motivation to overlook task-related important changes of states, and the novelty in an episodic manner can lead to repeatedly revisit the familiar states across episodes. In order to resolve these issues, in this paper, we propose a learnable hash-based episodic count, which we name LECO, that efficiently performs as a task-specific intrinsic reward in hard exploration problems. In particular, the proposed intrinsic reward consists of the episodic novelty and the task-specific modulation where the former employs a vector quantized variational autoencoder to automatically obtain the discrete state codes for fast counting while the latter regulates the episodic novelty by learning a modulator to optimize the task-specific extrinsic reward. The proposed LECO specifically enables the automatic transition from exploration to exploitation during reinforcement learning. We experimentally …
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Conventional Federated Learning (FL) systems inherently assume a uniform processing capacity among clients for deployed models. However, diverse client hardware often leads to varying computation resources in practice. Such system heterogeneity results in an inevitable trade-off between model complexity and data accessibility as a bottleneck. To avoid such a dilemma and achieve resource-adaptive federated learning, we introduce a simple yet effective mechanism, termed All-In-One Neural Composition, to systematically support training complexity-adjustable models with flexible resource adaption. It is able to efficiently construct models at various complexities using one unified neural basis shared among clients, instead of pruning the global model into local ones. The proposed mechanism endows the system with unhindered access to the full range of knowledge scattered across clients and generalizes existing pruning-based solutions by allowing soft and learnable extraction of low footprint models. Extensive experiment results on popular FL benchmarks demonstrate the effectiveness of our approach. The resulting FL system empowered by our All-In-One Neural Composition, called FLANC, manifests consistent performance gains across diverse system/data heterogeneous setups while keeping high efficiency in computation and communication.
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We introduce the Block-Recurrent Transformer, which applies a transformer layer in a recurrent fashion along a sequence, and has linear complexity with respect to sequence length. Our recurrent cell operates on blocks of tokens rather than single tokens during training, and leverages parallel computation within a block in order to make efficient use of accelerator hardware. The cell itself is strikingly simple. It is merely a transformer layer: it uses self-attention and cross-attention to efficiently compute a recurrent function over a large set of state vectors and tokens. Our design was inspired in part by LSTM cells, and it uses LSTM-style gates, but it scales the typical LSTM cell up by several orders of magnitude. Our implementation of recurrence has the same cost in both computation time and parameter count as a conventional transformer layer, but offers dramatically improved perplexity in language modeling tasks over very long sequences. Our model out-performs a long-range Transformer XL baseline by a wide margin, while running twice as fast. We demonstrate its effectiveness on PG19 (books), arXiv papers, and GitHub source code. Our code has been released as open source.
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Despite extensive theoretical work on biologically plausible learning rules, clear evidence about whether and how such rules are implemented in the brain has been difficult to obtain. We consider biologically plausible supervised- and reinforcement-learning rules and ask whether changes in network activity during learning can be used to determine which learning rule is being used. Supervised learning requires a credit-assignment model estimating the mapping from neural activity to behavior, and, in a biological organism, this model will inevitably be an imperfect approximation of the ideal mapping, leading to a bias in the direction of the weight updates relative to the true gradient. Reinforcement learning, on the other hand, requires no credit-assignment model and tends to make weight updates following the true gradient direction. We derive a metric to distinguish between learning rules by observing changes in the network activity during learning, given that the mapping from brain to behavior is known by the experimenter. Because brain-machine interface (BMI) experiments allow for precise knowledge of this mapping, we model a cursor-control BMI task using recurrent neural networks, showing that learning rules can be distinguished in simulated experiments using only observations that a neuroscience experimenter would plausibly have access to.
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Prior work has proposed a simple strategy for reinforcement learning (RL): label experience with the outcomes achieved in that experience, and then imitate the relabeled experience. These outcome-conditioned imitation learning methods are appealing because of their simplicity, strong performance, and close ties with supervised learning. However, it remains unclear how these methods relate to the standard RL objective, reward maximization. In this paper, we prove that existing outcome-conditioned imitation learning methods do not necessarily improve the policy. However, we show that a simple modification results in a method that does guarantee policy improvement. Our aim is not to develop an entirely new method, but rather to explain how a variant of outcome-conditioned imitation learning can be used to maximize rewards
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We study Model Predictive Control (MPC) and propose a general analysis pipeline to bound its dynamic regret. The pipeline first requires deriving a perturbation bound for a finite-time optimal control problem. Then, the perturbation bound is used to bound the per-step error of MPC, which leads to a bound on the dynamic regret. Thus, our pipeline reduces the study of MPC to the well-studied problem of perturbation analysis, enabling the derivation of regret bounds of MPC under a variety of settings. To demonstrate the power of our pipeline, we use it to generalize existing regret bounds on MPC in linear time-varying (LTV) systems to incorporate prediction errors on costs, dynamics, and disturbances. Further, our pipeline leads to regret bounds on MPC in systems with nonlinear dynamics and constraints.
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We investigate the parameterization of deep neural networks that by design satisfy the continuity equation, a fundamental conservation law. This is enabled by the observation that any solution of the continuity equation can be represented as a divergence-free vector field. We hence propose building divergence-free neural networks through the concept of differential forms, and with the aid of automatic differentiation, realize two practical constructions. As a result, we can parameterize pairs of densities and vector fields that always satisfy the continuity equation by construction, foregoing the need for extra penalty methods or expensive numerical simulation. Furthermore, we prove these models are universal and so can be used to represent any divergence-free vector field. Finally, we experimentally validate our approaches by computing neural network-based solutions to fluid equations, solving for the Hodge decomposition, and learning dynamical optimal transport maps.
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Equivariances provide useful inductive biases in neural network modeling, with the translation equivariance of convolutional neural networks being a canonical example. Equivariances can be embedded in architectures through weight-sharing and place symmetry constraints on the functions a neural network can represent. The type of symmetry is typically fixed and has to be chosen in advance. Although some tasks are inherently equivariant, many tasks do not strictly follow such symmetries. In such cases, equivariance constraints can be overly restrictive. In this work, we propose a parameter-efficient relaxation of equivariance that can effectively interpolate between a (i) non-equivariant linear product, (ii) a strict-equivariant convolution, and (iii) a strictly-invariant mapping. The proposed parameterisation can be thought of as a building block to allow adjustable symmetry structure in neural networks. In addition, we demonstrate that the amount of equivariance can be learned from the training data using backpropagation. Gradient-based learning of equivariance achieves similar or improved performance compared to the best value found by cross-validation and outperforms baselines with partial or strict equivariance on CIFAR-10 and CIFAR-100 image classification tasks.
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The mixing time of the Markov chain induced by a policy limits performance in real-world continual learning scenarios. Yet, the effect of mixing times on learning in continual reinforcement learning (RL) remains underexplored. In this paper, we characterize problems that are of long-term interest to the development of continual RL, which we call scalable MDPs, through the lens of mixing times. In particular, we theoretically establish that scalable MDPs have mixing times that scale polynomially with the size of the problem. We go on to demonstrate that polynomial mixing times present significant difficulties for existing approaches that suffer from myopic bias and stale bootstrapped estimates. To validate the proposed theory, we study the empirical scaling behavior of mixing times with respect to the number of tasks and task switching frequency for pretrained high performing policies on seven Atari games. Our analysis demonstrates both that polynomial mixing times do emerge in practice and how their existence may lead to unstable learning behavior like catastrophic forgetting in continual learning settings.
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Value decomposition multi-agent reinforcement learning methods learn the global value function as a mixing of each agent's individual utility functions. Coordination graphs (CGs) represent a higher-order decomposition by incorporating pairwise payoff functions and thus is supposed to have a more powerful representational capacity. However, CGs decompose the global value function linearly over local value functions, severely limiting the complexity of the value function class that can be represented. In this paper, we propose the first non-linear coordination graph by extending CG value decomposition beyond the linear case. One major challenge is to conduct greedy action selections in this new function class to which commonly adopted DCOP algorithms are no longer applicable. We study how to solve this problem when mixing networks with LeakyReLU activation are used. An enumeration method with a global optimality guarantee is proposed and motivates an efficient iterative optimization method with a local optimality guarantee. We find that our method can achieve superior performance on challenging multi-agent coordination tasks like MACO.
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While much progress has been made in understanding the minimax sample complexity of reinforcement learning (RL)---the complexity of learning on the worst-case'' instance---such measures of complexity often do not capture the true difficulty of learning. In practice, on an
easy'' instance, we might hope to achieve a complexity far better than that achievable on the worst-case instance. In this work we seek to understand this instance-dependent'' complexity of learning in the setting of RL with linear function approximation. We propose an algorithm, PEDEL, which achieves a fine-grained instance-dependent measure of complexity, the first of its kind in the RL with function approximation setting, thereby capturing the difficulty of learning on each particular problem instance. Through an explicit example, we show that PEDEL yields provable gains over low-regret, minimax-optimal algorithms and that such algorithms are unable to hit the instance-optimal rate. Our approach relies on a novel online experiment design-based procedure which focuses the exploration budget on the
directions'' most relevant to learning a near-optimal policy, and may be of independent interest.
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A central problem in online learning and decision making---from bandits to reinforcement learning---is to understand what modeling assumptions lead to sample-efficient learning guarantees. We consider a general adversarial decision making framework that encompasses (structured) bandit problems with adversarial rewards and reinforcement learning problems with adversarial dynamics. Our main result is to show---via new upper and lower bounds---that the Decision-Estimation Coefficient, a complexity measure introduced by Foster et al. in the stochastic counterpart to our setting, is necessary and sufficient to obtain low regret for adversarial decision making. However, compared to the stochastic setting, one must apply the Decision-Estimation Coefficient to the convex hull of the class of models (or, hypotheses) under consideration. This establishes that the price of accommodating adversarial rewards or dynamics is governed by the behavior of the model class under convexification, and recovers a number of existing results --both positive and negative. En route to obtaining these guarantees, we provide new structural results that connect the Decision-Estimation Coefficient to variants of other well-known complexity measures, including the Information Ratio of Russo and Van Roy and the Exploration-by-Optimization objective of Lattimore and György.
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In this paper, we present a new strategy to prove the convergence of Deep Learning architectures to a zero training (or even testing) loss by gradient flow. Our analysis is centered on the notion of Rayleigh quotients in order to prove Kurdyka-Lojasiewicz inequalities for a broader set of neural network architectures and loss functions. We show that Rayleigh quotients provide a unified view for several convergence analysis techniques in the literature. Our strategy produces a proof of convergence for various examples of parametric learning. In particular, our analysis does not require the number of parameters to tend to infinity, nor the number of samples to be finite, thus extending to test loss minimization and beyond the over-parameterized regime.
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Prior work on differential privacy analysis of randomized SGD algorithms relies on composition theorems, where the implicit (unrealistic) assumption is that the internal state of the iterative algorithm is revealed to the adversary. As a result, the R\'enyi DP bounds derived by such composition-based analyses linearly grow with the number of training epochs. When the internal state of the algorithm is hidden, we prove a converging privacy bound for noisy stochastic gradient descent (on strongly convex smooth loss functions). We show how to take advantage of privacy amplification by sub-sampling and randomized post-processing, and prove the dynamics of privacy bound for shuffle and partition'' and
sample without replacement'' stochastic mini-batch gradient descent schemes. We prove that, in these settings, our privacy bound converges exponentially fast and is substantially smaller than the composition bounds, notably after a few number of training epochs. Thus, unless the DP algorithm converges fast, our privacy analysis shows that hidden state analysis can significantly amplify differential privacy.
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The conclusions of randomized controlled trials may be biased when the outcome of one unit depends on the treatment status of other units, a problem known as \textit{interference}. In this work, we study interference in the setting of one-sided bipartite experiments in which the experimental units---where treatments are randomized and outcomes are measured---do not interact directly. Instead, their interactions are mediated through their connections to \textit{interference units} on the other side of the graph. Examples of this type of interference are common in marketplaces and two-sided platforms. The \textit{cluster-randomized design} is a popular method to mitigate interference when the graph is known, but it has not been well-studied in the one-sided bipartite experiment setting. In this work, we formalize a natural model for interference in one-sided bipartite experiments using the exposure mapping framework. We first exhibit settings under which existing cluster-randomized designs fail to properly mitigate interference under this model. We then show that minimizing the bias of the difference-in-means estimator under our model results in a balanced partitioning clustering objective with a natural interpretation. We further prove that our design is minimax optimal over the class of linear potential outcomes models with bounded interference. We conclude by providing theoretical …
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Many problems in machine learning can be formulated as optimizing a convex functional over a vector space of measures. This paper studies the convergence of the mirror descent algorithm in this infinite-dimensional setting. Defining Bregman divergences through directional derivatives, we derive the convergence of the scheme for relatively smooth and convex pairs of functionals. Such assumptions allow to handle non-smooth functionals such as the Kullback--Leibler (KL) divergence. Applying our result to joint distributions and KL, we show that Sinkhorn's primal iterations for entropic optimal transport in the continuous setting correspond to a mirror descent, and we obtain a new proof of its (sub)linear convergence. We also show that Expectation Maximization (EM) can always formally be written as a mirror descent. When optimizing only on the latent distribution while fixing the mixtures parameters -- which corresponds to the Richardson--Lucy deconvolution scheme in signal processing -- we derive sublinear rates of convergence.
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Neural networks are powerful surrogates for numerous forward processes.The inversion of such surrogates is extremely valuable in science and engineering. The most important property of a successful neural inverse method is the performance of its solutions when deployed in the real world, i.e., on the native forward process (and not only the learned surrogate). We propose Autoinverse, a highly automated approach for inverting neural network surrogates. Our main insight is to seek inverse solutions in the vicinity of reliable data which have been sampled form the forward process and used for training the surrogate model. Autoinverse finds such solutions by taking into account the predictive uncertainty of the surrogate and minimizing it during the inversion. Apart from high accuracy, Autoinverse enforces the feasibility of solutions, comes with embedded regularization, and is initialization free. We verify our proposed method through addressing a set of real-world problems in control, fabrication, and design.
[ Hall J ]

In past work on fairness in machine learning, the focus has been on forcing the prediction of classifiers to have similar statistical properties for people of different demographics. To reduce the violation of these properties, fairness methods usually simply rescale the classifier scores, ignoring similarities and dissimilarities between members of different groups. Yet, we hypothesize that such information is relevant in quantifying the unfairness of a given classifier. To validate this hypothesis, we introduce Optimal Transport to Fairness (OTF), a method that quantifies the violation of fairness constraints as the smallest Optimal Transport cost between a probabilistic classifier and any score function that satisfies these constraints. For a flexible class of linear fairness constraints, we construct a practical way to compute OTF as a differentiable fairness regularizer that can be added to any standard classification setting. Experiments show that OTF can be used to achieve an improved trade-off between predictive power and fairness.
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Designing networks capable of attaining better performance with an increased inference budget is important to facilitate generalization to harder problem instances. Recent efforts have shown promising results in this direction by making use of depth-wise recurrent networks. In this work, we reproduce the performance of the prior art using a broader class of architectures called equilibrium models, and find that stronger generalization performance on harder examples (which require more iterations of inference to get correct) strongly correlates with the path independence of the system—its ability to converge to the same attractor (or limit cycle) regardless of initialization, given enough computation. Experimental interventions made to promote path independence result in improved generalization on harder (and thus more compute-hungry) problem instances, while those that penalize it degrade this ability. Path independence analyses are also useful on a per-example basis: for equilibrium models that have good in-distribution performance, path independence on out-of-distribution samples strongly correlates with accuracy. Thus, considering equilibrium models and path independence jointly leads to a valuable new viewpoint under which we can study the generalization performance of these networks on hard problem instances.
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In consequential decision-making applications, mitigating unwanted biases in machine learning models that yield systematic disadvantage to members of groups delineated by sensitive attributes such as race and gender is one key intervention to strive for equity. Focusing on demographic parity and equality of opportunity, in this paper we propose an algorithm that improves the fairness of a pre-trained classifier by simply dropping carefully selected training data points. We select instances based on their influence on the fairness metric of interest, computed using an infinitesimal jackknife-based approach. The dropping of training points is done in principle, but in practice does not require the model to be refit. Crucially, we find that such an intervention does not substantially reduce the predictive performance of the model but drastically improves the fairness metric. Through careful experiments, we evaluate the effectiveness of the proposed approach on diverse tasks and find that it consistently improves upon existing alternatives.
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In personalized federated learning, each member of a potentially large set of agents aims to train a model minimizing its loss function averaged over its local data distribution. We study this problem under the lens of stochastic optimization, focusing on a scenario with a large number of agents, that each possess very few data samples from their local data distribution. Specifically, we prove novel matching lower and upper bounds on the number of samples required from all agents to approximately minimize the generalization error of a fixed agent. We provide strategies matching these lower bounds, based on a gradient filtering approach: given prior knowledge on some notion of distance between local data distributions, agents filter and aggregate stochastic gradients received from other agents, in order to achieve an optimal bias-variance trade-off. Finally, we quantify the impact of using rough estimations of the distances between local distributions of agents, based on a very small number of local samples.
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Stochastic neural networks (SNNs) are random functions whose predictions are gained by averaging over multiple realizations. Consequently, a gradient-based adversarial example is calculated based on one set of samples and its classification on another set. In this paper, we derive a sufficient condition for such a stochastic prediction to be robust against a given sample-based attack. This allows us to identify the factors that lead to an increased robustness of SNNs and gives theoretical explanations for: (i) the well known observation, that increasing the amount of samples drawn for the estimation of adversarial examples increases the attack's strength,(ii) why increasing the number of samples during an attack can not fully reduce the effect of stochasticity, (iii) why the sample size during inference does not influence the robustness, and(iv) why a higher gradient variance and a shorter expected value of the gradient relates to a higher robustness. Our theoretical findings give a unified view on the mechanisms underlying previously proposed approaches for increasing attack strengths or model robustness and are verified by an extensive empirical analysis.
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The Hessian of a differentiable convex function is positive semidefinite. Therefore, checking the Hessian of a given function is a natural approach to certify convexity. However, implementing this approach is not straightforward, since it requires a representation of the Hessian that allows its analysis. Here, we implement this approach for a class of functions that is rich enough to support classical machine learning. For this class of functions, it was recently shown how to compute computational graphs of their Hessians. We show how to check these graphs for positive-semidefiniteness. We compare our implementation of the Hessian approach with the well-established disciplined convex programming (DCP) approach and prove that the Hessian approach is at least as powerful as the DCP approach for differentiable functions. Furthermore, we show for a state-of-the-art implementation of the DCP approach that the Hessian approach is actually more powerful, that is, it can certify the convexity of a larger class of differentiable functions.
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A central issue in machine learning is how to train models on sensitive user data. Industry has widely adopted a simple algorithm: Stochastic Gradient Descent with noise (a.k.a. Stochastic Gradient Langevin Dynamics). However, foundational theoretical questions about this algorithm's privacy loss remain open---even in the seemingly simple setting of smooth convex losses over a bounded domain. Our main result resolves these questions: for a large range of parameters, we characterize the differential privacy up to a constant. This result reveals that all previous analyses for this setting have the wrong qualitative behavior. Specifically, while previous privacy analyses increase ad infinitum in the number of iterations, we show that after a small burn-in period, running SGD longer leaks no further privacy. Our analysis departs from previous approaches based on fast mixing, instead using techniques based on optimal transport (namely, Privacy Amplification by Iteration) and the Sampled Gaussian Mechanism (namely, Privacy Amplification by Sampling). Our techniques readily extend to other settings.
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The Yeo-Johnson (YJ) transformation is a standard parametrized per-feature unidimensional transformation often used to Gaussianize features in machine learning. In this paper, we investigate the problem of applying the YJ transformation in a cross-silo Federated Learning setting under privacy constraints. For the first time, we prove that the YJ negative log-likelihood is in fact convex, which allows us to optimize it with exponential search. We numerically show that the resulting algorithm is more stable than the state-of-the-art approach based on the Brent minimization method. Building on this simple algorithm and Secure Multiparty Computation routines, we propose SECUREFEDYJ, a federated algorithm that performs a pooled-equivalent YJ transformation without leaking more information than the final fitted parameters do. Quantitative experiments on real data demonstrate that, in addition to being secure, our approach reliably normalizes features across silos as well as if data were pooled, making it a viable approach for safe federated feature Gaussianization.
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[ Hall J ]

[ Hall J ]

A surprising phenomenon in modern machine learning is the ability of a highly overparameterized model to generalize well (small error on the test data) even when it is trained to memorize the training data (zero error on the training data). This has led to an arms race towards increasingly overparameterized models (c.f., deep learning). In this paper, we study an underexplored hidden cost of overparameterization: the fact that overparameterized models may be more vulnerable to privacy attacks, in particular the membership inference attack that predicts the (potentially sensitive) examples used to train a model. We significantly extend the relatively few empirical results on this problem by theoretically proving for an overparameterized linear regression model in the Gaussian data setting that membership inference vulnerability increases with the number of parameters. Moreover, a range of empirical studies indicates that more complex, nonlinear models exhibit the same behavior. Finally, we extend our analysis towards ridge-regularized linear regression and show in the Gaussian data setting that increased regularization also increases membership inference vulnerability in the overparameterized regime.
[ Hall J ]

Inverse Reinforcement Learning (IRL) is a powerful paradigm for inferring a reward function from expert demonstrations. Many IRL algorithms require a known transition model and sometimes even a known expert policy, or they at least require access to a generative model. However, these assumptions are too strong for many real-world applications, where the environment can be accessed only through sequential interaction. We propose a novel IRL algorithm: Active exploration for Inverse Reinforcement Learning (AceIRL), which actively explores an unknown environment and expert policy to quickly learn the expert’s reward function and identify a good policy. AceIRL uses previous observations to construct confidence intervals that capture plausible reward functions and find exploration policies that focus on the most informative regions of the environment. AceIRL is the first approach to active IRL with sample-complexity bounds that does not require a generative model of the environment. AceIRL matches the sample complexity of active IRL with a generative model in the worst case. Additionally, we establish a problem-dependent bound that relates the sample complexity of AceIRL to the suboptimality gap of a given IRL problem. We empirically evaluate AceIRL in simulations and find that it significantly outperforms more naive exploration strategies.
[ Hall J ]

The last few years have witnessed a surge in methods for symbolic regression, from advances in traditional evolutionary approaches to novel deep learning-based systems. Individual works typically focus on advancing the state-of-the-art for one particular class of solution strategies, and there have been few attempts to investigate the benefits of hybridizing or integrating multiple strategies. In this work, we identify five classes of symbolic regression solution strategies---recursive problem simplification, neural-guided search, large-scale pre-training, genetic programming, and linear models---and propose a strategy to hybridize them into a single modular, unified symbolic regression framework. Based on empirical evaluation using SRBench, a new community tool for benchmarking symbolic regression methods, our unified framework achieves state-of-the-art performance in its ability to (1) symbolically recover analytical expressions, (2) fit datasets with high accuracy, and (3) balance accuracy-complexity trade-offs, across 252 ground-truth and black-box benchmark problems, in both noiseless settings and across various noise levels. Finally, we provide practical use case-based guidance for constructing hybrid symbolic regression algorithms, supported by extensive, combinatorial ablation studies.
[ Hall J ]

Several goal-oriented problems in the real-world can be naturally expressed as Stochastic Shortest Path problems (SSPs). However, the computational complexity of solving SSPs makes finding solutions to even moderately sized problems intractable. State-of-the-art SSP solvers are unable to learn generalized solutions or policies that would solve multiple problem instances with different object names and/or quantities. This paper presents an approach for learning \emph{Generalized Policy Automata} (GPA): non-deterministic partial policies that can be used to catalyze the solution process. GPAs are learned using relational, feature-based abstractions, which makes them applicable on broad classes of related problems with different object names and quantities. Theoretical analysis of this approach shows that it guarantees completeness and hierarchical optimality. Empirical analysis shows that this approach effectively learns broadly applicable policy knowledge in a few-shot fashion and significantly outperforms state-of-the-art SSP solvers on test problems whose object counts are far greater than those used during training.
[ Hall J ]

Learning the distribution of a continuous or categorical response variable y given its covariates x is a fundamental problem in statistics and machine learning. Deep neural network-based supervised learning algorithms have made great progress in predicting the mean of y given x, but they are often criticized for their ability to accurately capture the uncertainty of their predictions. In this paper, we introduce classification and regression diffusion (CARD) models, which combine a denoising diffusion-based conditional generative model and a pre-trained conditional mean estimator, to accurately predict the distribution of y given x. We demonstrate the outstanding ability of CARD in conditional distribution prediction with both toy examples and real-world datasets, the experimental results on which show that CARD, in general, outperforms state-of-the-art methods, including Bayesian neural network-based one, designed for uncertainty estimation, especially when the conditional distribution of y given x is multi-modal. In addition, we utilize the stochastic nature of the generative model outputs to obtain a finer granularity in model confidence assessment at the instance level for classification tasks.
[ Hall J ]

Time series synthesis is an important research topic in the field of deep learning, which can be used for data augmentation. Time series data types can be broadly classified into regular or irregular. However, there are no existing generative models that show good performance for both types without any model changes. Therefore, we present a general purpose model capable of synthesizing regular and irregular time series data. To our knowledge, we are the first designing a general purpose time series synthesis model, which is one of the most challenging settings for time series synthesis. To this end, we design a generative adversarial network-based method, where many related techniques are carefully integrated into a single framework, ranging from neural ordinary/controlled differential equations to continuous time-flow processes. Our method outperforms all existing methods.
[ Hall J ]
The application of machine learning methods in quantum chemistry has enabled the study of numerous chemical phenomena, which are computationally intractable with traditional ab-initio methods. However, some quantum mechanical properties of molecules and materials depend on non-local electronic effects, which are often neglected due to the difficulty of modeling them efficiently. This work proposes a modified attention mechanism adapted to the underlying physics, which allows to recover the relevant non-local effects. Namely, we introduce spherical harmonic coordinates (SPHCs) to reflect higher-order geometric information for each atom in a molecule, enabling a non-local formulation of attention in the SPHC space. Our proposed model So3krates - a self-attention based message passing neural network - uncouples geometric information from atomic features, making them independently amenable to attention mechanisms. Thereby we construct spherical filters, which extend the concept of continuous filters in Euclidean space to SPHC space and serve as foundation for a spherical self-attention mechanism. We show that in contrast to other published methods, So3krates is able to describe non-local quantum mechanical effects over arbitrary length scales. Further, we find evidence that the inclusion of higher-order geometric correlations increases data efficiency and improves generalization. So3krates matches or exceeds state-of-the-art performance on popular benchmarks, …
[ Hall J ]

Generative models for graph data are an important research topic in machine learning. Graph data comprise two levels that are typically analyzed separately: node-level properties such as the existence of a link between a pair of nodes, and global aggregate graph-level statistics, such as motif counts.This paper proposes a new multi-level framework that jointly models node-level properties and graph-level statistics, as mutually reinforcing sources of information. We introduce a new micro-macro training objective for graph generation that combines node-level and graph-level losses. We utilize the micro-macro objective to improve graph generation with a GraphVAE, a well-established model based on graph-level latent variables, that provides fast training and generation time for medium-sized graphs. Our experiments show that adding micro-macro modeling to the GraphVAE model improves graph quality scores up to 2 orders of magnitude on five benchmark datasets, while maintaining the GraphVAE generation speed advantage.
[ Hall J ]
Learning an informative representation with behavioral metrics is able to accelerate the deep reinforcement learning process. There are two key research issues on behavioral metric-based representation learning: 1) how to relax the computation of a specific behavioral metric, which is difficult or even intractable to compute, and 2) how to approximate the relaxed metric by learning an embedding space for states. In this paper, we analyze the potential relaxation and/or approximation gaps for existing behavioral metric-based representation learning methods. Based on the analysis, we propose a new behavioral distance, the RAP distance, and develop a practical representation learning algorithm on top of it with a theoretical analysis. We conduct extensive experiments on DeepMind Control Suite with distraction, Robosuite, and autonomous driving simulator CARLA to demonstrate new state-of-the-art results.
[ Hall J ]

The increasing reliance on ML models in high-stakes tasks has raised a major concern about fairness violations. Although there has been a surge of work that improves algorithmic fairness, most are under the assumption of an identical training and test distribution. In many real-world applications, however, such an assumption is often violated as previously trained fair models are often deployed in a different environment, and the fairness of such models has been observed to collapse. In this paper, we study how to transfer model fairness under distribution shifts, a widespread issue in practice. We conduct a fine-grained analysis of how the fair model is affected under different types of distribution shifts and find that domain shifts are more challenging than subpopulation shifts. Inspired by the success of self-training in transferring accuracy under domain shifts, we derive a sufficient condition for transferring group fairness. Guided by it, we propose a practical algorithm with fair consistency regularization as the key component. A synthetic dataset benchmark, which covers diverse types of distribution shifts, is deployed for experimental verification of the theoretical findings. Experiments on synthetic and real datasets, including image and tabular data, demonstrate that our approach effectively transfers fairness and accuracy under …
[ Hall J ]

Recent non-contrastive methods for self-supervised representation learning show promising performance. While they are attractive since they do not need negative samples, it necessitates some mechanism to avoid collapsing into a trivial solution. Currently, there are two approaches to collapse prevention. One uses an asymmetric architecture on a joint embedding of input, e.g., BYOL and SimSiam, and the other imposes decorrelation criteria on the same joint embedding, e.g., Barlow-Twins and VICReg. The latter methods have theoretical support from information theory as to why they can learn good representation. However, it is not fully understood why the former performs equally well. In this paper, focusing on BYOL/SimSiam, which uses the stop-gradient and a predictor as asymmetric tricks, we present a novel interpretation of these tricks; they implicitly impose a constraint that encourages feature decorrelation similar to Barlow-Twins/VICReg. We then present a novel non-contrastive method, which replaces the stop-gradient in BYOL/SimSiam with the derived constraint; the method empirically shows comparable performance to the above SOTA methods in the standard benchmark test using ImageNet. This result builds a bridge from BYOL/SimSiam to the decorrelation-based methods, contributing to demystifying their secrets.
[ Hall J ]

Current Graph Neural Networks (GNN) architectures generally rely on two important components: node features embedding through message passing, and aggregation with a specialized form of pooling. The structural (or topological) information is implicitly taken into account in these two steps. We propose in this work a novel point of view, which places distances to some learnable graph templates at the core of the graph representation. This distance embedding is constructed thanks to an optimal transport distance: the Fused Gromov-Wasserstein (FGW) distance, which encodes simultaneously feature and structure dissimilarities by solving a soft graph-matching problem. We postulate that the vector of FGW distances to a set of template graphs has a strong discriminative power, which is then fed to a non-linear classifier for final predictions. Distance embedding can be seen as a new layer, and can leverage on existing message passing techniques to promote sensible feature representations. Interestingly enough, in our work the optimal set of template graphs is also learnt in an end-to-end fashion by differentiating through this layer. After describing the corresponding learning procedure, we empirically validate our claim on several synthetic and real life graph classification datasets, where our method is competitive or surpasses kernel and GNN state-of-the-art …
[ Hall J ]

In this paper we show that our Machine Learning (ML) approach, CoMLSim (Composable Machine Learning Simulator), can simulate PDEs on highly-resolved grids with higher accuracy and generalization to out-of-distribution source terms and geometries than traditional ML baselines. Our unique approach combines key principles of traditional PDE solvers with local-learning and low-dimensional manifold techniques to iteratively simulate PDEs on large computational domains. The proposed approach is validated on more than 5 steady-state PDEs across different PDE conditions on highly-resolved grids and comparisons are made with the commercial solver, Ansys Fluent as well as 4 other state-of-the-art ML methods. The numerical experiments show that our approach outperforms ML baselines in terms of 1) accuracy across quantitative metrics and 2) generalization to out-of-distribution conditions as well as domain sizes. Additionally, we provide results for a large number of ablations experiments conducted to highlight components of our approach that strongly influence the results. We conclude that our local-learning and iterative-inferencing approach reduces the challenge of generalization that most ML models face.
[ Hall J ]

To enable large-scale machine learning in bandwidth-hungry environments such as wireless networks, significant progress has been made recently in designing communication-efficient federated learning algorithms with the aid of communication compression. On the other end, privacy preserving, especially at the client level, is another important desideratum that has not been addressed simultaneously in the presence of advanced communication compression techniques yet. In this paper, we propose a unified framework that enhances the communication efficiency of private federated learning with communication compression. Exploiting both general compression operators and local differential privacy, we first examine a simple algorithm that applies compression directly to differentially-private stochastic gradient descent, and identify its limitations. We then propose a unified framework SoteriaFL for private federated learning, which accommodates a general family of local gradient estimators including popular stochastic variance-reduced gradient methods and the state-of-the-art shifted compression scheme. We provide a comprehensive characterization of its performance trade-offs in terms of privacy, utility, and communication complexity, where SoteriaFL is shown to achieve better communication complexity without sacrificing privacy nor utility than other private federated learning algorithms without communication compression.
[ Hall J ]

We propose the first unified theoretical analysis of mixed sample data augmentation (MSDA), such as Mixup and CutMix. Our theoretical results show that regardless of the choice of the mixing strategy, MSDA behaves as a pixel-level regularization of the underlying training loss and a regularization of the first layer parameters. Similarly, our theoretical results support that the MSDA training strategy can improve adversarial robustness and generalization compared to the vanilla training strategy. Using the theoretical results, we provide a high-level understanding of how different design choices of MSDA work differently. For example, we show that the most popular MSDA methods, Mixup and CutMix, behave differently, e.g., CutMix regularizes the input gradients by pixel distances, while Mixup regularizes the input gradients regardless of pixel distances. Our theoretical results also show that the optimal MSDA strategy depends on tasks, datasets, or model parameters. From these observations, we propose generalized MSDAs, a Hybrid version of Mixup and CutMix (HMix) and Gaussian Mixup (GMix), simple extensions of Mixup and CutMix. Our implementation can leverage the advantages of Mixup and CutMix, while our implementation is very efficient, and the computation cost is almost neglectable as Mixup and CutMix. Our empirical study shows that our HMix …
[ Hall J ]
Stochastic Gradient Descent (SGD) has been the method of choice for learning large-scale non-convex models. While a general analysis of when SGD works has been elusive, there has been a lot of recent progress in understanding the convergence of Gradient Flow (GF) on the population loss, partly due to the simplicity that a continuous-time analysis buys us. An overarching theme of our paper is providing general conditions under which SGD converges, assuming that GF on the population loss converges. Our main tool to establish this connection is a general \textit{converse Lyapunov} like theorem, which implies the existence of a Lyapunov potential under mild assumptions on the rates of convergence of GF. In fact, using these potentials, we show a one-to-one correspondence between rates of convergence of GF and geometrical properties of the underlying objective. When these potentials further satisfy certain self-bounding properties, we show that they can be used to provide a convergence guarantee for Gradient Descent (GD) and SGD (even when the GF path and GD/SGD paths are quite far apart). It turns out that these self-bounding assumptions are in a sense also necessary for GD/SGD to work. Using our framework, we provide a unified analysis for GD/SGD not …
[ Hall J ]

Recently there is a large amount of work devoted to the study of Markov chain stochastic gradient methods (MC-SGMs) which mainly focus on their convergence analysis for solving minimization problems. In this paper, we provide a comprehensive generalization analysis of MC-SGMs for both minimization and minimax problems through the lens of algorithmic stability in the framework of statistical learning theory. For empirical risk minimization (ERM) problems, we establish the optimal excess population risk bounds for both smooth and non-smooth cases by introducing on-average argument stability. For minimax problems, we develop a quantitative connection between on-average argument stability and generalization error which extends the existing results for uniform stability (Lei et al., 2021). We further develop the first nearly optimal convergence rates for convex-concave problems both in expectation and with high probability, which, combined with our stability results, show that the optimal generalization bounds can be attained for both smooth and non-smooth cases. To the best of our knowledge, this is the first generalization analysis of SGMs when the gradients are sampled from a Markov process.
[ Hall J ]
Energy-based models, a.k.a. energy networks, perform inference by optimizing an energy function, typically parametrized by a neural network. This allows one to capture potentially complex relationships between inputs andoutputs.To learn the parameters of the energy function, the solution to thatoptimization problem is typically fed into a loss function.The key challenge for training energy networks lies in computing loss gradients,as this typically requires argmin/argmax differentiation.In this paper, building upon a generalized notion of conjugate function,which replaces the usual bilinear pairing with a general energy function,we propose generalized Fenchel-Young losses, a natural loss construction forlearning energy networks. Our losses enjoy many desirable properties and theirgradients can be computed efficiently without argmin/argmax differentiation.We also prove the calibration of their excess risk in the case of linear-concaveenergies. We demonstrate our losses on multilabel classification and imitation learning tasks.
[ Hall J ]

We present the first whiteness hypothesis test for graphs, i.e., a whiteness test for multivariate time series associated with the nodes of a dynamic graph; as such, the test represents an important model assessment tool for graph deep learning, e.g., in forecasting setups. The statistical test aims at detecting existing serial dependencies among close-in-time observations, as well as spatial dependencies among neighboring observations given the underlying graph. The proposed AZ-test can be intended as a spatio-temporal extension of traditional tests designed for system identification to graph signals. The AZ-test is versatile, allowing the underlying graph to be dynamic, changing in topology and set of nodes over time, and weighted, thus accounting for connections of different strength, as it is the case in many application scenarios like sensor and transportation networks. The asymptotic distribution of the designed test can be derived under the null hypothesis without assuming identically distributed data. We show the effectiveness of the test on both synthetic and real-world problems, and illustrate how it can be employed to assess the quality of spatio-temporal forecasting models by analyzing the prediction residuals appended to the graph stream.
[ Hall J ]

Supervised learning with deep models has tremendous potential for applications in materials science. Recently, graph neural networks have been used in this context, drawing direct inspiration from models for molecules. However, materials are typically much more structured than molecules, which is a feature that these models do not leverage. In this work, we introduce a class of models that are equivariant with respect to crystalline symmetry groups. We do this by defining a generalization of the message passing operations that can be used with more general permutation groups, or that can alternatively be seen as defining an expressive convolution operation on the crystal graph. Empirically, these models achieve competitive results with state-of-the-art on the Materials Project dataset.
[ Hall J ]

This paper presents a text classification algorithm inspired by the notion of superposition of states in quantum physics. By regarding text as a superposition of words, we derive the wave function of a document and we compute the transition probability of the document to a target class according to Born's rule. Two complementary implementations are presented. In the first one, wave functions are calculated explicitly. The second implementation embeds the classifier in a neural network architecture. Through analysis of three benchmark datasets, we illustrate several aspects of the proposed method, such as classification performance, explainability, and computational efficiency. These ideas are also applicable to non-textual data.
[ Hall J ]
Most popular dimension reduction (DR) methods like t-SNE and UMAP are based on minimizing a cost between input and latent pairwise similarities. Though widely used, these approaches lack clear probabilistic foundations to enable a full understanding of their properties and limitations. To that extent, we introduce a unifying statistical framework based on the coupling of hidden graphs using cross entropy. These graphs induce a Markov random field dependency structure among the observations in both input and latent spaces. We show that existing pairwise similarity DR methods can be retrieved from our framework with particular choices of priors for the graphs. Moreover this reveals that these methods relying on shift-invariant kernels suffer from a statistical degeneracy that explains poor performances in conserving coarse-grain dependencies. New links are drawn with PCA which appears as a non-degenerate graph coupling model.
[ Hall J ]

Established methods for unsupervised representation learning such as variational autoencoders produce none or poorly calibrated uncertainty estimates making it difficult to evaluate if learned representations are stable and reliable. In this work, we present a Bayesian autoencoder for unsupervised representation learning, which is trained using a novel variational lower-bound of the autoencoder evidence. This is maximized using Monte Carlo EM with a variational distribution that takes the shape of a Laplace approximation. We develop a new Hessian approximation that scales linearly with data size allowing us to model high-dimensional data. Empirically, we show that our Laplacian autoencoder estimates well-calibrated uncertainties in both latent and output space. We demonstrate that this results in improved performance across a multitude of downstream tasks.
[ Hall J ]

We present an approach to quantifying both aleatoric and epistemic uncertainty for deep neural networks in image classification, based on generative adversarial networks (GANs). While most works in the literature that use GANs to generate out-of-distribution (OoD) examples only focus on the evaluation of OoD detection, we present a GAN based approach to learn a classifier that produces proper uncertainties for OoD examples as well as for false positives (FPs). Instead of shielding the entire in-distribution data with GAN generated OoD examples which is state-of-the-art, we shield each class separately with out-of-class examples generated by a conditional GAN and complement this with a one-vs-all image classifier. In our experiments, in particular on CIFAR10, CIFAR100 and Tiny ImageNet, we improve over the OoD detection and FP detection performance of state-of-the-art GAN-training based classifiers. Furthermore, we also find that the generated GAN examples do not significantly affect the calibration error of our classifier and result in a significant gain in model accuracy.
[ Hall J ]

We aim for source-free domain adaptation, where the task is to deploy a model pre-trained on source domains to target domains. The challenges stem from the distribution shift from the source to the target domain, coupled with the unavailability of any source data and labeled target data for optimization. Rather than fine-tuning the model by updating the parameters, we propose to perturb the source model to achieve adaptation to target domains. We introduce perturbations into the model parameters by variational Bayesian inference in a probabilistic framework. By doing so, we can effectively adapt the model to the target domain while largely preserving the discriminative ability. Importantly, we demonstrate the theoretical connection to learning Bayesian neural networks, which proves the generalizability of the perturbed model to target domains. To enable more efficient optimization, we further employ a parameter sharing strategy, which substantially reduces the learnable parameters compared to a fully Bayesian neural network. Our model perturbation provides a new probabilistic way for domain adaptation which enables efficient adaptation to target domains while maximally preserving knowledge in source models. Experiments on several source-free benchmarks under three different evaluation settings verify the effectiveness of the proposed variational model perturbation for source-free domain adaptation.
[ Hall J ]

We empirically investigate how pre-training on data of different modalities, such as language and vision, affects fine-tuning of Transformer-based models to Mujoco offline reinforcement learning tasks. Analysis of the internal representation reveals that the pre-trained Transformers acquire largely different representations before and after pre-training, but acquire less information of data in fine-tuning than the randomly initialized one. A closer look at the parameter changes of the pre-trained Transformers reveals that their parameters do not change that much and that the bad performance of the model pre-trained with image data could partially come from large gradients and gradient clipping. To study what information the Transformer pre-trained with language data utilizes, we fine-tune this model with no context provided, finding that the model learns efficiently even without context information. Subsequent follow-up analysis supports the hypothesis that pre-training with language data is likely to make the Transformer get context-like information and utilize it to solve the downstream task.
[ Hall J ]
[ Hall J ]

Transformer is a transformative framework for deep learning which models sequential data and has achieved remarkable performance on a wide range of tasks, but with high computational and energy cost. To improve its efficiency, a popular choice is to compress the models via binarization which constrains the floating-point values into binary ones to save resource consumption owing to cheap bitwise operations significantly. However, existing binarization methods only aim at minimizing the information loss for the input distribution statistically, while ignoring the pairwise similarity modeling at the core of the attention mechanism. To this end, we propose a new binarization paradigm customized to high-dimensional softmax attention via kernelized hashing, called EcoFormer, to map the original queries and keys into low-dimensional binary codes in Hamming space. The kernelized hash functions are learned to match the ground-truth similarity relations extracted from the attention map in a self-supervised way. Based on the equivalence between the inner product of binary codes and the Hamming distance as well as the associative property of matrix multiplication, we can approximate the attention in linear complexity by expressing it as a dot-product of binary codes. Moreover, the compact binary representations of queries and keys in EcoFormer enable us to …
[ Hall J ]

Dataset distillation aims to learn a small synthetic dataset that preserves most of the information from the original dataset. Dataset distillation can be formulated as a bi-level meta-learning problem where the outer loop optimizes the meta-dataset and the inner loop trains a model on the distilled data. Meta-gradient computation is one of the key challenges in this formulation, as differentiating through the inner loop learning procedure introduces significant computation and memory costs. In this paper, we address these challenges using neural Feature Regression with Pooling (FRePo), achieving the state-of-the-art performance with an order of magnitude less memory requirement and two orders of magnitude faster training than previous methods. The proposed algorithm is analogous to truncated backpropagation through time with a pool of models to alleviate various types of overfitting in dataset distillation. FRePo significantly outperforms the previous methods on CIFAR100, Tiny ImageNet, and ImageNet-1K. Furthermore, we show that high-quality distilled data can greatly improve various downstream applications, such as continual learning and membership inference defense. Please check out our webpage at https://sites.google.com/view/frepo.
[ Hall J ]

The task of scene graph generation entails identifying object entities and their corresponding interaction predicates in a given image (or video). Due to the combinatorially large solution space, existing approaches to scene graph generation assume certain factorization of the joint distribution to make the estimation feasible (e.g., assuming that objects are conditionally independent of predicate predictions). However, this fixed factorization is not ideal under all scenarios (e.g., for images where an object entailed in interaction is small and not discernible on its own). In this work, we propose a novel framework for scene graph generation that addresses this limitation, as well as introduces dynamic conditioning on the image, using message passing in a Markov Random Field. This is implemented as an iterative refinement procedure wherein each modification is conditioned on the graph generated in the previous iteration. This conditioning across refinement steps allows joint reasoning over entities and relations. This framework is realized via a novel and end-to-end trainable transformer-based architecture. In addition, the proposed framework can improve existing approach performance. Through extensive experiments on Visual Genome and Action Genome benchmark datasets we show improved performance on the scene graph generation.
[ Hall J ]

We address the problem of incremental semantic segmentation (ISS) recognizing novel object/stuff categories continually without forgetting previous ones that have been learned. The catastrophic forgetting problem is particularly severe in ISS, since pixel-level ground-truth labels are available only for the novel categories at training time. To address the problem, regularization-based methods exploit probability calibration techniques to learn semantic information from unlabeled pixels. While such techniques are effective, there is still a lack of theoretical understanding of them. Replay-based methods propose to memorize a small set of images for previous categories. They achieve state-of-the-art performance at the cost of large memory footprint. We propose in this paper a novel ISS method, dubbed ALIFE, that provides a better compromise between accuracy and efficiency. To this end, we first show an in-depth analysis on the calibration techniques to better understand the effects on ISS. Based on this, we then introduce an adaptive logit regularizer (ALI) that enables our model to better learn new categories, while retaining knowledge for previous ones. We also present a feature replay scheme that memorizes features, instead of images directly, in order to reduce memory requirements significantly. Since a feature extractor is changed continually, memorized features should also be …
[ Hall J ]

Learning in hyperbolic spaces has attracted growing attention recently, owing to their capabilities in capturing hierarchical structures of data. However, existing learning algorithms in the hyperbolic space tend to overfit when limited data is given. In this paper, we propose a hyperbolic feature augmentation method that generates diverse and discriminative features in the hyperbolic space to combat overfitting. We employ a wrapped hyperbolic normal distribution to model augmented features, and use a neural ordinary differential equation module that benefits from meta-learning to estimate the distribution. This is to reduce the bias of estimation caused by the scarcity of data. We also derive an upper bound of the augmentation loss, which enables us to train a hyperbolic model by using an infinite number of augmentations. Experiments on few-shot learning and continual learning tasks show that our method significantly improves the performance of hyperbolic algorithms in scarce data regimes.
[ Hall J ]
The application of machine learning in safety-critical systems requires a reliable assessment of uncertainty.However, deep neural networks are known to produce highly overconfident predictions on out-of-distribution (OOD) data.Even if trained to be non-confident on OOD data, one can still adversarially manipulate OOD data so that the classifier again assigns high confidence to the manipulated samples.We show that two previously published defenses can be broken by better adapted attacks, highlighting the importance of robustness guarantees around OOD data.Since the existing method for this task is hard to train and significantly limits accuracy, we construct a classifier that can simultaneously achieve provably adversarially robust OOD detection and high clean accuracy.Moreover, by slightly modifying the classifier's architecture our method provably avoids the asymptotic overconfidence problem of standard neural networks.We provide code for all our experiments.
[ Hall J ]

[ Hall J ]

In machine learning, stochastic gradient descent (SGD) is widely deployed to train models using highly non-convex objectives with equally complex noise models. Unfortunately, SGD theory often makes restrictive assumptions that fail to capture the non-convexity of real problems, and almost entirely ignore the complex noise models that exist in practice. In this work, we demonstrate the restrictiveness of these assumptions using three canonical models in machine learning. Then, we develop novel theory to address this shortcoming in two ways. First, we establish that SGD's iterates will either globally converge to a stationary point or diverge under nearly arbitrary nonconvexity and noise models. Under a slightly more restrictive assumption on the joint behavior of the non-convexity and noise model that generalizes current assumptions in the literature, we show that the objective function cannot diverge, even if the iterates diverge. As a consequence of our results, SGD can be applied to a greater range of stochastic optimization problems with confidence about its global convergence behavior and stability.
[ Hall J ]
Information-directed sampling (IDS) has revealed its potential as a data-efficient algorithm for reinforcement learning (RL). However, theoretical understanding of IDS for Markov Decision Processes (MDPs) is still limited. We develop novel information-theoretic tools to bound the information ratio and cumulative information gain about the learning target. Our theoretical results shed light on the importance of choosing the learning target such that the practitioners can balance the computation and regret bounds. As a consequence, we derive prior-free Bayesian regret bounds for vanilla-IDS which learns the whole environment under tabular finite-horizon MDPs. In addition, we propose a computationally-efficient regularized-IDS that maximizes an additive form rather than the ratio form and show that it enjoys the same regret bound as vanilla-IDS. With the aid of rate-distortion theory, we improve the regret bound by learning a surrogate, less informative environment. Furthermore, we extend our analysis to linear MDPs and prove similar regret bounds for Thompson sampling as a by-product.
[ Hall J ]

[ Hall J ]

Tensor train decomposition is widely used in machine learning and quantum physics due to its concise representation of high-dimensional tensors, overcoming the curse of dimensionality. Cross approximation---originally developed for representing a matrix from a set of selected rows and columns---is an efficient method for constructing a tensor train decomposition of a tensor from few of its entries. While tensor train cross approximation has achieved remarkable performance in practical applications, its theoretical analysis, in particular regarding the error of the approximation, is so far lacking. To our knowledge, existing results only provide element-wise approximation accuracy guarantees, which lead to a very loose bound when extended to the entire tensor. In this paper, we bridge this gap by providing accuracy guarantees in terms of the entire tensor for both exact and noisy measurements. Our results illustrate how the choice of selected subtensors affects the quality of the cross approximation and that the approximation error caused by model error and/or measurement error may not grow exponentially with the order of the tensor. These results are verified by numerical experiments, and may have important implications for the usefulness of cross approximations for high-order tensors, such as those encountered in the description of quantum many-body …
[ Hall J ]

In risk-averse reinforcement learning (RL), the goal is to optimize some risk measure of the returns. A risk measure often focuses on the worst returns out of the agent's experience. As a result, standard methods for risk-averse RL often ignore high-return strategies. We prove that under certain conditions this inevitably leads to a local-optimum barrier, and propose a mechanism we call soft risk to bypass it. We also devise a novel cross entropy module for sampling, which (1) preserves risk aversion despite the soft risk; (2) independently improves sample efficiency. By separating the risk aversion of the sampler and the optimizer, we can sample episodes with poor conditions, yet optimize with respect to successful strategies. We combine these two concepts in CeSoR - Cross-entropy Soft-Risk optimization algorithm - which can be applied on top of any risk-averse policy gradient (PG) method. We demonstrate improved risk aversion in maze navigation, autonomous driving, and resource allocation benchmarks, including in scenarios where standard risk-averse PG completely fails.
[ Hall J ]

Learning world models from their sensory inputs enables agents to plan for actions by imagining their future outcomes. World models have previously been shown to improve sample-efficiency in simulated environments with few objects, but have not yet been applied successfully to environments with many objects. In environments with many objects, often only a small number of them are moving or interacting at the same time. In this paper, we investigate integrating this inductive bias of sparse interactions into the latent dynamics of world models trained from pixels. First, we introduce Variational Sparse Gating (VSG), a latent dynamics model that updates its feature dimensions sparsely through stochastic binary gates. Moreover, we propose a simplified architecture Simple Variational Sparse Gating (SVSG) that removes the deterministic pathway of previous models, resulting in a fully stochastic transition function that leverages the VSG mechanism. We evaluate the two model architectures in the BringBackShapes (BBS) environment that features a large number of moving objects and partial observability, demonstrating clear improvements over prior models.
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Selecting subsets of features that differentiate between two conditions is a key task in a broad range of scientific domains. In many applications, the features of interest form clusters with similar effects on the data at hand. To recover such clusters we develop DiSC, a data-driven approach for detecting groups of features that differentiate between conditions. For each condition, we construct a graph whose nodes correspond to the features and whose weights are functions of the similarity between them for that condition. We then apply a spectral approach to compute subsets of nodes whose connectivity pattern differs significantly between the condition-specific feature graphs. On the theoretical front, we analyze our approach with a toy example based on the stochastic block model. We evaluate DiSC on a variety of datasets, including MNIST, hyperspectral imaging, simulated scRNA-seq and task fMRI, and demonstrate that DiSC uncovers features that better differentiate between conditions compared to competing methods.
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Shapley value is a popular approach for measuring the influence of individual features. While Shapley feature attribution is built upon desiderata from game theory, some of its constraints may be less natural in certain machine learning settings, leading to unintuitive model interpretation. In particular, the Shapley value uses the same weight for all marginal contributions---i.e. it gives the same importance when a large number of other features are given versus when a small number of other features are given. This property can be problematic if larger feature sets are more or less informative than smaller feature sets. Our work performs a rigorous analysis of the potential limitations of Shapley feature attribution. We identify simple settings where the Shapley value is mathematically suboptimal by assigning larger attributions for less influential features. Motivated by this observation, we propose WeightedSHAP, which generalizes the Shapley value and learns which marginal contributions to focus directly from data. On several real-world datasets, we demonstrate that the influential features identified by WeightedSHAP are better able to recapitulate the model's predictions compared to the features identified by the Shapley value.
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This paper considers the Pointer Value Retrieval (PVR) benchmark introduced in [ZRKB21], where a `reasoning' function acts on a string of digits to produce the label. More generally, the paper considers the learning of logical functions with gradient descent (GD) on neural networks. It is first shown that in order to learn logical functions with gradient descent on symmetric neural networks, the generalization error can be lower-bounded in terms of the noise-stability of the target function, supporting a conjecture made in [ZRKB21]. It is then shown that in the distribution shift setting, when the data withholding corresponds to freezing a single feature (referred to as canonical holdout), the generalization error of gradient descent admits a tight characterization in terms of the Boolean influence for several relevant architectures. This is shown on linear models and supported experimentally on other models such as MLPs and Transformers. In particular, this puts forward the hypothesis that for such architectures and for learning logical functions such as PVR functions, GD tends to have an implicit bias towards low-degree representations, which in turn gives the Boolean influence for the generalization error under quadratic loss.
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Neural Networks (NNs) have been successfully employed to represent the state evolution of complex dynamical systems. Such models, referred to as NN dynamic models (NNDMs), use iterative noisy predictions of NN to estimate a distribution of system trajectories over time. Despite their accuracy, safety analysis of NNDMs is known to be a challenging problem and remains largely unexplored. To address this issue, in this paper, we introduce a method of providing safety guarantees for NNDMs. Our approach is based on stochastic barrier functions, whose relation with safety are analogous to that of Lyapunov functions with stability. We first show a method of synthesizing stochastic barrier functions for NNDMs via a convex optimization problem, which in turn provides a lower bound on the system's safety probability. A key step in our method is the employment of the recent convex approximation results for NNs to find piece-wise linear bounds, which allow the formulation of the barrier function synthesis problem as a sum-of-squares optimization program. If the obtained safety probability is above the desired threshold, the system is certified. Otherwise, we introduce a method of generating controls for the system that robustly minimize the unsafety probability in a minimally-invasive manner. We exploit the …
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In offline model-based reinforcement learning (offline MBRL), we learn a dynamic model from historically collected data, and subsequently utilize the learned model and fixed datasets for policy learning, without further interacting with the environment. Offline MBRL algorithms can improve the efficiency and stability of policy learning over the model-free algorithms. However, in most of the existing offline MBRL algorithms, the learning objectives for the dynamic models and the policies are isolated from each other. Such an objective mismatch may lead to inferior performance of the learned agents. In this paper, we address this issue by developing an iterative offline MBRL framework, where we maximize a lower bound of the true expected return, by alternating between dynamic-model training and policy learning. With the proposed unified model-policy learning framework, we achieve competitive performance on a wide range of continuous-control offline reinforcement learning datasets. Source code is released at https://github.com/Shentao-YANG/AMPL_NeurIPS2022.
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We consider distributed stochastic variational inequalities (VIs) on unbounded domains with the problem data that is heterogeneous (non-IID) and distributed across many devices. We make a very general assumption on the computational network that, in particular, covers the settings of fully decentralized calculations with time-varying networks and centralized topologies commonly used in Federated Learning. Moreover, multiple local updates on the workers can be made for reducing the communication frequency between the workers.We extend the stochastic extragradient method to this very general setting and theoretically analyze its convergence rate in the strongly-monotone, monotone, and non-monotone (when a Minty solution exists) settings. The provided rates explicitly exhibit the dependence on network characteristics (e.g., mixing time), iteration counter, data heterogeneity, variance, number of devices, and other standard parameters. As a special case, our method and analysis apply to distributed stochastic saddle-point problems (SPP), e.g., to the training of Deep Generative Adversarial Networks (GANs) for which decentralized training has been reported to be extremely challenging. In experiments for the decentralized training of GANs we demonstrate the effectiveness of our proposed approach.
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Gradient estimation---approximating the gradient of an expectation with respect to the parameters of a distribution---is central to the solution of many machine learning problems. However, when the distribution is discrete, most common gradient estimators suffer from excessive variance. To improve the quality of gradient estimation, we introduce a variance reduction technique based on Stein operators for discrete distributions. We then use this technique to build flexible control variates for the REINFORCE leave-one-out estimator. Our control variates can be adapted online to minimize variance and do not require extra evaluations of the target function. In benchmark generative modeling tasks such as training binary variational autoencoders, our gradient estimator achieves substantially lower variance than state-of-the-art estimators with the same number of function evaluations.
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Approximating Stochastic Gradient Descent (SGD) as a Stochastic Differential Equation (SDE) has allowed researchers to enjoy the benefits of studying a continuous optimization trajectory while carefully preserving the stochasticity of SGD. Analogous study of adaptive gradient methods, such as RMSprop and Adam, has been challenging because there were no rigorously proven SDE approximations for these methods. This paper derives the SDE approximations for RMSprop and Adam, giving theoretical guarantees of their correctness as well as experimental validation of their applicability to common large-scaling vision and language settings. A key practical result is the derivation of a square root scaling rule to adjust the optimization hyperparameters of RMSprop and Adam when changing batch size, and its empirical validation in deep learning settings.
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The matching principles behind optimal transport (OT) play an increasingly important role in machine learning, a trend which can be observed when OT is used to disambiguate datasets in applications (e.g. single-cell genomics) or used to improve more complex methods (e.g. balanced attention in transformers or self-supervised learning). To scale to more challenging problems, there is a growing consensus that OT requires solvers that can operate on millions, not thousands, of points. The low-rank optimal transport (LOT) approach advocated in \cite{scetbon2021lowrank} holds several promises in that regard, and was shown to complement more established entropic regularization approaches, being able to insert itself in more complex pipelines, such as quadratic OT. LOT restricts the search for low-cost couplings to those that have a low-nonnegative rank, yielding linear time algorithms in cases of interest. However, these promises can only be fulfilled if the LOT approach is seen as a legitimate contender to entropic regularization when compared on properties of interest, where the scorecard typically includes theoretical properties (statistical complexity and relation to other methods) or practical aspects (debiasing, hyperparameter tuning, initialization). We target each of these areas in this paper in order to cement the impact of low-rank approaches in computational OT.
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Single-index models are a class of functions given by an unknown univariate ``link'' function applied to an unknown one-dimensional projection of the input. These models are particularly relevant in high dimension, when the data might present low-dimensional structure that learning algorithms should adapt to. While several statistical aspects of this model, such as the sample complexity of recovering the relevant (one-dimensional) subspace, are well-understood, they rely on tailored algorithms that exploit the specific structure of the target function. In this work, we introduce a natural class of shallow neural networks and study its ability to learn single-index models via gradient flow. More precisely, we consider shallow networks in which biases of the neurons are frozen at random initialization. We show that the corresponding optimization landscape is benign, which in turn leads to generalization guarantees that match the near-optimal sample complexity of dedicated semi-parametric methods.
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We develop a framework for generalized variational inference in infinite-dimensional function spaces and use it to construct a method termed Gaussian Wasserstein inference (GWI). GWI leverages the Wasserstein distance between Gaussian measures on the Hilbert space of square-integrable functions in order to determine a variational posterior using a tractable optimization criterion. It avoids pathologies arising in standard variational function space inference. An exciting application of GWI is the ability to use deep neural networks in the variational parametrization of GWI, combining their superior predictive performance with the principled uncertainty quantification analogous to that of Gaussian processes. The proposed method obtains state-of-the-art performance on several benchmark datasets.
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Simulation-based Bayesian inference (SBI) can be used to estimate the parameters of complex mechanistic models given observed model outputs without requiring access to explicit likelihood evaluations. A prime example for the application of SBI in neuroscience involves estimating the parameters governing the response dynamics of Hodgkin-Huxley (HH) models from electrophysiological measurements, by inferring a posterior over the parameters that is consistent with a set of observations. To this end, many SBI methods employ a set of summary statistics or scientifically interpretable features to estimate a surrogate likelihood or posterior. However, currently, there is no way to identify how much each summary statistic or feature contributes to reducing posterior uncertainty. To address this challenge, one could simply compare the posteriors with and without a given feature included in the inference process. However, for large or nested feature sets, this would necessitate repeatedly estimating the posterior, which is computationally expensive or even prohibitive. Here, we provide a more efficient approach based on the SBI method neural likelihood estimation (NLE): We show that one can marginalize the trained surrogate likelihood post-hoc before inferring the posterior to assess the contribution of a feature. We demonstrate the usefulness of our method by identifying the most …
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Learning in deep neural networks is known to depend critically on the knowledge embedded in the initial network weights. However, few theoretical results have precisely linked prior knowledge to learning dynamics. Here we derive exact solutions to the dynamics of learning with rich prior knowledge in deep linear networks by generalising Fukumizu's matrix Riccati solution \citep{fukumizu1998effect}. We obtain explicit expressions for the evolving network function, hidden representational similarity, and neural tangent kernel over training for a broad class of initialisations and tasks. The expressions reveal a class of task-independent initialisations that radically alter learning dynamics from slow non-linear dynamics to fast exponential trajectories while converging to a global optimum with identical representational similarity, dissociating learning trajectories from the structure of initial internal representations. We characterise how network weights dynamically align with task structure, rigorously justifying why previous solutions successfully described learning from small initial weights without incorporating their fine-scale structure. Finally, we discuss the implications of these findings for continual learning, reversal learning and learning of structured knowledge. Taken together, our results provide a mathematical toolkit for understanding the impact of prior knowledge on deep learning.
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In the future, powerful AI systems may be deployed in high-stakes settings, where a single failure could be catastrophic. One technique for improving AI safety in high-stakes settings is adversarial training, which uses an adversary to generate examples to train on in order to achieve better worst-case performance.In this work, we used a safe language generation task (``avoid injuries'') as a testbed for achieving high reliability through adversarial training. We created a series of adversarial training techniques---including a tool that assists human adversaries---to find and eliminate failures in a classifier that filters text completions suggested by a generator. In our task, we determined that we can set very conservative classifier thresholds without significantly impacting the quality of the filtered outputs. We found that adversarial training significantly increased robustness to the adversarial attacks that we trained on--- tripling the time to find adversarial examples without tools and doubling the time with our tool (from 13 to 26 minutes)---without affecting in-distribution performance. We hope to see further work in the high-stakes reliability setting, including more powerful tools for enhancing human adversaries and better ways to measure high levels of reliability, until we can confidently rule out the possibility of catastrophic deployment-time failures …
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Theorem proving in natural mathematical language – the mixture of symbolic and natural language used by humans – plays a central role in mathematical advances and education, and tests aspects of reasoning that are core to intelligence. Yet it has remained underexplored with modern generative models. We study large-scale language models on two new generation tasks: suggesting the next step in a mathematical proof, and full proof generation. We develop NaturalProver, a language model that generates proofs by conditioning on background references (e.g. theorems and definitions that are either retrieved or human-provided), and optionally enforces their presence with constrained decoding. On theorems from the NaturalProofs benchmark, NaturalProver improves the quality of next-step suggestions and generated proofs over fine-tuned GPT-3, according to human evaluations from university-level mathematics students. NaturalProver is capable of proving some theorems that require short (2-6 step) proofs, and providing next-step suggestions that are rated as correct and useful over 40% of the time, which is to our knowledge the first demonstration of these capabilities using neural language models.
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Inspired by the great success of unsupervised learning in Computer Vision and Natural Language Processing, the Reinforcement Learning community has recently started to focus more on unsupervised discovery of skills. Most current approaches, like DIAYN or DADS, optimize some form of mutual information objective. We propose a different approach that uses reward functions encoded by neural networks. These are trained iteratively to reward more complex behavior. In high-dimensional robotic environments our approach learns a wide range of interesting skills including front-flips for Half-Cheetah and one-legged running for Humanoid. It is the first skill discovery algorithm that can learn such skills without relying on any form of feature engineering. In the pixel-based Montezuma's Revenge environment our method also works with minimal changes and it learns complex skills that involve interacting with items and visiting diverse locations.
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The training of neural networks by gradient descent methods is a cornerstone of the deep learning revolution. Yet, despite some recent progress, a complete theory explaining its success is still missing. This article presents, for orthogonal input vectors, a precise description of the gradient flow dynamics of training one-hidden layer ReLU neural networks for the mean squared error at small initialisation. In this setting, despite non-convexity, we show that the gradient flow converges to zero loss and characterise its implicit bias towards minimum variation norm. Furthermore, some interesting phenomena are highlighted: a quantitative description of the initial alignment phenomenon and a proof that the process follows a specific saddle to saddle dynamics.
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Software packages like TensorFlow and PyTorch are designed to support linear algebra operations, and their speed and usability determine their success. However, by prioritising speed, they often neglect memory requirements. As a consequence, the implementations of memory-intensive algorithms that are convenient in terms of software design can often not be run for large problems due to memory overflows. Memory-efficient solutions require complex programming approaches with significant logic outside the computational framework. This impairs the adoption and use of such algorithms. To address this, we developed an XLA compiler extension that adjusts the computational data-flow representation of an algorithm according to a user-specified memory limit. We show that k-nearest neighbour, sparse Gaussian process regression methods and Transformers can be run on a single device at a much larger scale, where standard implementations would have failed. Our approach leads to better use of hardware resources. We believe that further focus on removing memory constraints at a compiler level will widen the range of machine learning methods that can be developed in the future.
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We present coarse-to-fine autoregressive networks (C2FAR), a method for modeling the probability distribution of univariate, numeric random variables. C2FAR generates a hierarchical, coarse-to-fine discretization of a variable autoregressively; progressively finer intervals of support are generated from a sequence of binned distributions, where each distribution is conditioned on previously-generated coarser intervals. Unlike prior (flat) binned distributions, C2FAR can represent values with exponentially higher precision, for only a linear increase in complexity. We use C2FAR for probabilistic forecasting via a recurrent neural network, thus modeling time series autoregressively in both space and time. C2FAR is the first method to simultaneously handle discrete and continuous series of arbitrary scale and distribution shape. This flexibility enables a variety of time series use cases, including anomaly detection, interpolation, and compression. C2FAR achieves improvements over the state-of-the-art on several benchmark forecasting datasets.
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Abstraction has been widely studied as a way to improve the efficiency and generalization of reinforcement learning algorithms. In this paper, we study abstraction in the continuous-control setting. We extend the definition of MDP homomorphisms to encompass continuous actions in continuous state spaces. We derive a policy gradient theorem on the abstract MDP, which allows us to leverage approximate symmetries of the environment for policy optimization. Based on this theorem, we propose an actor-critic algorithm that is able to learn the policy and the MDP homomorphism map simultaneously, using the lax bisimulation metric. We demonstrate the effectiveness of our method on benchmark tasks in the DeepMind Control Suite. Our method's ability to utilize MDP homomorphisms for representation learning leads to improved performance when learning from pixel observations.
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We present a simple, yet powerful data-augmentation technique to enable data-efficient learning from parametric experts for reinforcement and imitation learning. We focus on what we call the policy cloning setting, in which we use online or offline queries of an expert or expert policy to inform the behavior of a student policy. This setting arises naturally in a number of problems, for instance as variants of behavior cloning, or as a component of other algorithms such as DAGGER, policy distillation or KL-regularized RL. Our approach, augmented policy cloning (APC), uses synthetic states to induce feedback-sensitivity in a region around sampled trajectories, thus dramatically reducing the environment interactions required for successful cloning of the expert. We achieve highly data-efficient transfer of behavior from an expert to a student policy for high-degrees-of-freedom control problems. We demonstrate the benefit of our method in the context of several existing and widely used algorithms that include policy cloning as a constituent part. Moreover, we highlight the benefits of our approach in two practically relevant settings (a) expert compression, i.e. transfer to a student with fewer parameters; and (b) transfer from privileged experts, i.e. where the expert has a different observation space than the student, usually …
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Pretrained language models (PLMs) have demonstrated remarkable performance in various natural language processing tasks: Unidirectional PLMs (e.g., GPT) are well known for their superior text generation capabilities; bidirectional PLMs (e.g., BERT) have been the prominent choice for natural language understanding (NLU) tasks. While both types of models have achieved promising few-shot learning performance, their potential for zero-shot learning has been underexplored. In this paper, we present a simple approach that uses both types of PLMs for fully zero-shot learning of NLU tasks without requiring any task-specific data: A unidirectional PLM generates class-conditioned texts guided by prompts, which are used as the training data for fine-tuning a bidirectional PLM. With quality training data selected based on the generation probability and regularization techniques (label smoothing and temporal ensembling) applied to the fine-tuning stage for better generalization and stability, our approach demonstrates strong performance across seven classification tasks of the GLUE benchmark (e.g., 72.3/73.8 on MNLI-m/mm and 92.8 on SST-2), significantly outperforming zero-shot prompting methods and achieving even comparable results to strong few-shot approaches using 32 training samples per class.
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Recent progress in reinforcement learning (RL) has started producing generally capable agents that can solve a distribution of complex environments. These agents are typically tested on fixed, human-authored environments. On the other hand, quality diversity (QD) optimization has been proven to be an effective component of environment generation algorithms, which can generate collections of high-quality environments that are diverse in the resulting agent behaviors. However, these algorithms require potentially expensive simulations of agents on newly generated environments. We propose Deep Surrogate Assisted Generation of Environments (DSAGE), a sample-efficient QD environment generation algorithm that maintains a deep surrogate model for predicting agent behaviors in new environments. Results in two benchmark domains show that DSAGE significantly outperforms existing QD environment generation algorithms in discovering collections of environments that elicit diverse behaviors of a state-of-the-art RL agent and a planning agent. Our source code and videos are available at https://dsagepaper.github.io/.
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We present simultaneous generation and mapping (SGAM), a novel 3D scene generation algorithm. Our goal is to produce a realistic, globally consistent 3D world on a large scale. Achieving this goal is challenging and goes beyond the capacities of existing 3D generation or video generation approaches, which fail to scale up to create large, globally consistent 3D scene structures. Towards tackling the challenges, we take a hybrid approach that integrates generative sensor model- ing with 3D reconstruction. Our proposed approach is an autoregressive generative framework that simultaneously generates sensor data at novel viewpoints and builds a 3D map at each timestamp. Given an arbitrary camera trajectory, our method repeatedly applies this generation-and-mapping process for thousands of steps, allowing us to create a gigantic virtual world. Our model can be trained from RGB-D sequences without having access to the complete 3D scene structure. The generated scenes are readily compatible with various interactive environments and rendering engines. Experiments on CLEVER and GoogleEarth datasets demon- strates ours can generate consistent, realistic, and geometrically-plausible scenes that compare favorably to existing view synthesis methods. Our project page is available at https://yshen47.github.io/sgam.
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The recent availability of large datasets in bio-medicine has inspired the development of representation learning methods for multiple healthcare applications. Despite advances in predictive performance, the clinical utility of such methods is limited when exposed to real-world data. This study develops model diagnostic measures to detect potential pitfalls before deployment without assuming access to external data. Specifically, we focus on modeling realistic data shifts in electrophysiological signals (EEGs) via data transforms and extend the conventional task-based evaluations with analyses of a) the model's latent space and b) predictive uncertainty under these transforms. We conduct experiments on multiple EEG feature encoders and two clinically relevant downstream tasks using publicly available large-scale clinical EEGs. Within this experimental setting, our results suggest that measures of latent space integrity and model uncertainty under the proposed data shifts may help anticipate performance degradation during deployment.
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Single-cell transcriptomics enabled the study of cellular heterogeneity in response to perturbations at the resolution of individual cells. However, scaling high-throughput screens (HTSs) to measure cellular responses for many drugs remains a challenge due to technical limitations and, more importantly, the cost of such multiplexed experiments. Thus, transferring information from routinely performed bulk RNA HTS is required to enrich single-cell data meaningfully.We introduce chemCPA, a new encoder-decoder architecture to study the perturbational effects of unseen drugs. We combine the model with an architecture surgery for transfer learning and demonstrate how training on existing bulk RNA HTS datasets can improve generalisation performance. Better generalisation reduces the need for extensive and costly screens at single-cell resolution. We envision that our proposed method will facilitate more efficient experiment designs through its ability to generate in-silico hypotheses, ultimately accelerating drug discovery.
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While language tasks are naturally expressed in a single, unified, modeling framework, i.e., generating sequences of tokens, this has not been the case in computer vision. As a result, there is a proliferation of distinct architectures and loss functions for different vision tasks. In this work we show that a diverse set of "core" computer vision tasks can also be unified if formulated in terms of a shared pixel-to-sequence interface. We focus on four tasks, namely, object detection, instance segmentation, keypoint detection, and image captioning, all with diverse types of outputs, e.g., bounding boxes or dense masks. Despite that, by formulating the output of each task as a sequence of discrete tokens with a unified interface, we show that one can train a neural network with a single model architecture and loss function on all these tasks, with no task-specific customization. To solve a specific task, we use a short prompt as task description, and the sequence output adapts to the prompt so it can produce task-specific output. We show that such a model can achieve competitive performance compared to well-established task-specific models.
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Mean-Field Game (MFG) serves as a crucial mathematical framework in modeling the collective behavior of individual agents interacting stochastically with a large population. In this work, we aim at solving a challenging class of MFGs in which the differentiability of these interacting preferences may not be available to the solver, and the population is urged to converge exactly to some desired distribution. These setups are, despite being well-motivated for practical purposes, complicated enough to paralyze most (deep) numerical solvers. Nevertheless, we show that Schrödinger Bridge — as an entropy-regularized optimal transport model — can be generalized to accepting mean-field structures, hence solving these MFGs. This is achieved via the application of Forward-Backward Stochastic Differential Equations theory, which, intriguingly, leads to a computational framework with a similar structure to Temporal Difference learning. As such, it opens up novel algorithmic connections to Deep Reinforcement Learning that we leverage to facilitate practical training. We show that our proposed objective function provides necessary and sufficient conditions to the mean-field problem. Our method, named Deep Generalized Schrödinger Bridge (DeepGSB), not only outperforms prior methods in solving classical population navigation MFGs, but is also capable of solving 1000-dimensional opinion depolarization, setting a new state-of-the-art numerical solver …
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We present the Neural Satisfiability Network (NSNet), a general neural framework that models satisfiability problems as probabilistic inference and meanwhile exhibits proper explainability. Inspired by the Belief Propagation (BP), NSNet uses a novel graph neural network (GNN) to parameterize BP in the latent space, where its hidden representations maintain the same probabilistic interpretation as BP. NSNet can be flexibly configured to solve both SAT and #SAT problems by applying different learning objectives. For SAT, instead of directly predicting a satisfying assignment, NSNet performs marginal inference among all satisfying solutions, which we empirically find is more feasible for neural networks to learn. With the estimated marginals, a satisfying assignment can be efficiently generated by rounding and executing a stochastic local search. For #SAT, NSNet performs approximate model counting by learning the Bethe approximation of the partition function. Our evaluations show that NSNet achieves competitive results in terms of inference accuracy and time efficiency on multiple SAT and #SAT datasets.
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Although a vast body of literature relates to image segmentation methods that use deep neural networks (DNNs), less attention has been paid to assessing the statistical reliability of segmentation results. In this study, we interpret the segmentation results as hypotheses driven by DNN (called DNN-driven hypotheses) and propose a method to quantify the reliability of these hypotheses within a statistical hypothesis testing framework. To this end, we introduce a conditional selective inference (SI) framework---a new statistical inference framework for data-driven hypotheses that has recently received considerable attention---to compute exact (non-asymptotic) valid p-values for the segmentation results. To use the conditional SI framework for DNN-based segmentation, we develop a new SI algorithm based on the homotopy method, which enables us to derive the exact (non-asymptotic) sampling distribution of DNN-driven hypothesis. We conduct several experiments to demonstrate the performance of the proposed method.
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Imitation learning (IL) is a general learning paradigm for sequential decision-making problems. Interactive imitation learning, where learners can interactively query for expert annotations, has been shown to achieve provably superior sample efficiency guarantees compared with its offline counterpart or reinforcement learning. In this work, we study classification-based online imitation learning (abbrev. COIL) and the fundamental feasibility to design oracle-efficient regret-minimization algorithms in this setting, with a focus on the general non-realizable case. We make the following contributions: (1) we show that in the COIL problem, any proper online learning algorithm cannot guarantee a sublinear regret in general; (2) we propose Logger, an improper online learning algorithmic framework, that reduces COIL to online linear optimization, by utilizing a new definition of mixed policy class; (3) we design two oracle-efficient algorithms within the Logger framework that enjoy different sample and interaction round complexity tradeoffs, and show their improvements over behavior cloning; (4) we show that under standard complexity-theoretic assumptions, efficient dynamic regret minimization is infeasible in the Logger framework.
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Large neural networks trained in the overparameterized regime are able to fit noise to zero train error. Recent work of Nakkiran and Bansal has empirically observed that such networks behave as “conditional samplers” from the noisy distribution. That is, they replicate the noise in the train data to unseen examples. We give a theoretical framework for studying this conditional sampling behavior in the context of learning theory. We relate the notion of such samplers to knowledge distillation, where a student network imitates the outputs of a teacher on unlabeled data. We show that samplers, while being bad classifiers, can be good teachers. Concretely, we prove that distillation from samplers is guaranteed to produce a student which approximates the Bayes optimal classifier. Finally, we show that some common learning algorithms (e.g., Nearest-Neighbours and Kernel Machines) can often generate samplers when applied in the overparameterized regime.
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The workhorse of machine learning is stochastic gradient descent.To access stochastic gradients, it is common to consider iteratively input/output pairs of a training dataset.Interestingly, it appears that one does not need full supervision to access stochastic gradients, which is the main motivation of this paper.After formalizing the "active labeling" problem, which focuses on active learning with partial supervision, we provide a streaming technique that provably minimizes the ratio of generalization error over the number of samples.We illustrate our technique in depth for robust regression.
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Recent works have derived neural networks with online correlation-based learning rules to perform \textit{kernel similarity matching}. These works applied existing linear similarity matching algorithms to nonlinear features generated with random Fourier methods. In this paper attempt to perform kernel similarity matching by directly learning the nonlinear features. Our algorithm proceeds by deriving and then minimizing an upper bound for the sum of squared errors between output and input kernel similarities. The construction of our upper bound leads to online correlation-based learning rules which can be implemented with a 1 layer recurrent neural network. In addition to generating high-dimensional linearly separable representations, we show that our upper bound naturally yields representations which are sparse and selective for specific input patterns. We compare the approximation quality of our method to neural random Fourier method and variants of the popular but non-biological ``Nystr{\"o}m'' method for approximating the kernel matrix. Our method appears to be comparable or better than randomly sampled Nystr{\"o}m methods when the outputs are relatively low dimensional (although still potentially higher dimensional than the inputs) but less faithful when the outputs are very high dimensional.
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Training convolutional neural networks (CNNs) with a strict 1-Lipschitz constraint under the l{2} norm is useful for adversarial robustness, interpretable gradients and stable training. 1-Lipschitz CNNs are usually designed by enforcing each layer to have an orthogonal Jacobian matrix (for all inputs) to prevent the gradients from vanishing during backpropagation. However, their performance often significantly lags behind that of heuristic methods to enforce Lipschitz constraints where the resulting CNN is not provably 1-Lipschitz. In this work, we reduce this gap by introducing (a) a procedure to certify robustness of 1-Lipschitz CNNs by replacing the last linear layer with a 1-hidden layer MLP that significantly improves their performance for both standard and provably robust accuracy, (b) a method to significantly reduce the training time per epoch for Skew Orthogonal Convolution (SOC) layers (>30\% reduction for deeper networks) and (c) a class of pooling layers using the mathematical property that the l{2} distance of an input to a manifold is 1-Lipschitz. Using these methods, we significantly advance the state-of-the-art for standard and provable robust accuracies on CIFAR-10 (gains of +1.79\% and +3.82\%) and similarly on CIFAR-100 (+3.78\% and +4.75\% across all networks.
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Convolutional Neural Networks (CNNs) are known for requiring extensive computational resources, and quantization is among the best and most common methods for compressing them. While aggressive quantization (i.e., less than 4-bits) performs well for classification, it may cause severe performance degradation in image-to-image tasks such as semantic segmentation and depth estimation. In this paper, we propose Wavelet Compressed Convolution (WCC)---a novel approach for high-resolution activation maps compression integrated with point-wise convolutions, which are the main computational cost of modern architectures. To this end, we use an efficient and hardware-friendly Haar-wavelet transform, known for its effectiveness in image compression, and define the convolution on the compressed activation map. We experiment with various tasks that benefit from high-resolution input. By combining WCC with light quantization, we achieve compression rates equivalent to 1-4bit activation quantization with relatively small and much more graceful degradation in performance. Our code is available at https://github.com/BGUCompSci/WaveletCompressedConvolution.
[ Hall J ]

This paper tackles post-hoc interpretability for audio processing networks. Our goal is to interpret decisions of a trained network in terms of high-level audio objects that are also listenable for the end-user. To this end, we propose a novel interpreter design that incorporates non-negative matrix factorization (NMF). In particular, a regularized interpreter module is trained to take hidden layer representations of the targeted network as input and produce time activations of pre-learnt NMF components as intermediate outputs. Our methodology allows us to generate intuitive audio-based interpretations that explicitly enhance parts of the input signal most relevant for a network's decision. We demonstrate our method's applicability on popular benchmarks, including a real-world multi-label classification task.
[ Hall J ]
A hallmark of the deep learning era for computer vision is the successful use of large-scale labeled datasets to train feature representations. This has been done for tasks ranging from object recognition and semantic segmentation to optical flow estimation and novel view synthesis of 3D scenes. In this work, we aim to learn dense discriminative object representations for low-shot category recognition without requiring any category labels. To this end, we propose Deep Object Patch Encodings (DOPE), which can be trained from multiple views of object instances without any category or semantic object part labels. To train DOPE, we assume access to sparse depths, foreground masks and known cameras, to obtain pixel-level correspondences between views of an object, and use this to formulate a self-supervised learning task to learn discriminative object patches. We find that DOPE can directly be used for low-shot classification of novel categories using local-part matching, and is competitive with and outperforms supervised and self-supervised learning baselines.
[ Hall J ]
Precise and accurate predictions over boundary areas are essential for semantic segmentation. However, the commonly used convolutional operators tend to smooth and blur local detail cues, making it difficult for deep models to generate accurate boundary predictions. In this paper, we introduce an operator-level approach to enhance semantic boundary awareness, so as to improve the prediction of the deep semantic segmentation model. Specifically, we formulate the boundary feature enhancement process as an anisotropic diffusion process. We propose a novel learnable approach called semantic diffusion network (SDN) for approximating the diffusion process, which contains a parameterized semantic difference convolution operator followed by a feature fusion module and constructs a differentiable mapping from original backbone features to advanced boundary-aware features. The proposed SDN is an efficient and flexible module that can be plugged into existing encoder-decoder segmentation models. Extensive experiments show that our approach can achieve consistent improvements over several typical state-of-the-art segmentation baseline models on challenging public benchmarks.
[ Hall J ]

Semantic representation learning for sentences is an important and well-studied problem in NLP. The current trend for this task involves training a Transformer-based sentence encoder through a contrastive objective with text, i.e., clustering sentences with semantically similar meanings and scattering others. In this work, we find the performance of Transformer models as sentence encoders can be improved by training with multi-modal multi-task losses, using unpaired examples from another modality (e.g., sentences and unrelated image/audio data). In particular, besides learning by the contrastive loss on text, our model clusters examples from a non-linguistic domain (e.g., visual/audio) with a similar contrastive loss at the same time. The reliance of our framework on unpaired non-linguistic data makes it language-agnostic, enabling it to be widely applicable beyond English NLP. Experiments on 7 semantic textual similarity benchmarks reveal that models trained with the additional non-linguistic (images/audio) contrastive objective lead to higher quality sentence embeddings. This indicates that Transformer models are able to generalize better by doing a similar task (i.e., clustering) with \textit{unpaired} examples from different modalities in a multi-task fashion. The code is available at https://github.com/yiren-jian/NonLing-CSE.
[ Hall J ]

The ability to reuse previous policies is an important aspect of human intelligence. To achieve efficient policy reuse, a Deep Reinforcement Learning (DRL) agent needs to decide when to reuse and which source policies to reuse. Previous methods solve this problem by introducing extra components to the underlying algorithm, such as hierarchical high-level policies over source policies, or estimations of source policies' value functions on the target task. However, training these components induces either optimization non-stationarity or heavy sampling cost, significantly impairing the effectiveness of transfer. To tackle this problem, we propose a novel policy reuse algorithm called Critic-gUided Policy reuse (CUP), which avoids training any extra components and efficiently reuses source policies. CUP utilizes the critic, a common component in actor-critic methods, to evaluate and choose source policies. At each state, CUP chooses the source policy that has the largest one-step improvement over the current target policy, and forms a guidance policy. The guidance policy is theoretically guaranteed to be a monotonic improvement over the current target policy. Then the target policy is regularized to imitate the guidance policy to perform efficient policy search. Empirical results demonstrate that CUP achieves efficient transfer and significantly outperforms baseline algorithms.
[ Hall J ]
Extreme compression, particularly ultra-low bit precision (binary/ternary) quantization, has been proposed to fit large NLP models on resource-constraint devices. However, to preserve the accuracy for such aggressive compression schemes, cutting-edge methods usually introduce complicated compression pipelines, e.g., multi-stage expensive knowledge distillation with extensive hyperparameter tuning. Also, they oftentimes focus less on smaller transformer models that have already been heavily compressed via knowledge distillation and lack a systematic study to show the effectiveness of their methods.In this paper, we perform a very comprehensive systematic study to measure the impact of many key hyperparameters and training strategies from previous. As a result, we find out that previous baselines for ultra-low bit precision quantization are significantly under-trained. Based on our study, we propose a simple yet effective compression pipeline for extreme compression. Our simplified pipeline demonstrates that(1) we can skip the pre-training knowledge distillation to obtain a 5-layer \bert while achieving better performance than previous state-of-the-art methods, like TinyBERT; (2) extreme quantization plus layer reduction is able to reduce the model size by 50x, resulting in new state-of-the-art results on GLUE tasks.
[ Hall J ]
Capitalizing on large pre-trained models for various downstream tasks of interest have recently emerged with promising performance. Due to the ever-growing model size, the standard full fine-tuning based task adaptation strategy becomes prohibitively costly in terms of model training and storage. This has led to a new research direction in parameter-efficient transfer learning. However, existing attempts typically focus on downstream tasks from the same modality (e.g., image understanding) of the pre-trained model. This creates a limit because in some specific modalities, (e.g., video understanding) such a strong pre-trained model with sufficient knowledge is less or not available. In this work, we investigate such a novel cross-modality transfer learning setting, namely parameter-efficient image-to-video transfer learning. To solve this problem, we propose a new Spatio-Temporal Adapter (ST-Adapter) for parameter-efficient fine-tuning per video task. With a built-in spatio-temporal reasoning capability in a compact design, ST-Adapter enables a pre-trained image model without temporal knowledge to reason about dynamic video content at a small ~8% per-task parameter cost, requiring approximately 20 times fewer updated parameters compared to previous work. Extensive experiments on video action recognition tasks show that our ST-Adapter can match or even outperform the strong full fine-tuning strategy and state-of-the-art video models, whilst …
[ Hall J ]

In recent years, generative adversarial networks (GANs) have been an actively studied topic and shown to successfully produce high-quality realistic images in various domains. The controllable synthesis ability of GAN generators suggests that they maintain informative, disentangled, and explainable image representations, but leveraging and transferring their representations to downstream tasks is largely unexplored. In this paper, we propose to distill knowledge from GAN generators by squeezing and spanning their representations. We \emph{squeeze} the generator features into representations that are invariant to semantic-preserving transformations through a network before they are distilled into the student network. We \emph{span} the distilled representation of the synthetic domain to the real domain by also using real training data to remedy the mode collapse of GANs and boost the student network performance in a real domain. Experiments justify the efficacy of our method and reveal its great significance in self-supervised representation learning. Code is available at https://github.com/yangyu12/squeeze-and-span.
[ Hall J ]

Hypergraph neural networks can model multi-way connections among nodes of the graphs, which are common in real-world applications such as genetic medicine. In particular, genetic pathways or gene sets encode molecular functions driven by multiple genes, naturally represented as hyperedges. Thus, hypergraph-guided embedding can capture functional relations in learned representations. Existing hypergraph neural network models often focus on node-level or graph-level inference. There is an unmet need in learning powerful representations of subgraphs of hypergraphs in real-world applications. For example, a cancer patient can be viewed as a subgraph of genes harboring mutations in the patient, while all the genes are connected by hyperedges that correspond to pathways representing specific molecular functions. For accurate inductive subgraph prediction, we propose SubHypergraph Inductive Neural nEtwork (SHINE). SHINE uses informative genetic pathways that encode molecular functions as hyperedges to connect genes as nodes. SHINE jointly optimizes the objectives of end-to-end subgraph classification and hypergraph nodes' similarity regularization. SHINE simultaneously learns representations for both genes and pathways using strongly dual attention message passing. The learned representations are aggregated via a subgraph attention layer and used to train a multilayer perceptron for subgraph inferencing. We evaluated SHINE against a wide array of state-of-the-art (hyper)graph neural …
[ Hall J ]

The large pre-trained vision transformers (ViTs) have demonstrated remarkable performance on various visual tasks, but suffer from expensive computational and memory cost problems when deployed on resource-constrained devices. Among the powerful compression approaches, quantization extremely reduces the computation and memory consumption by low-bit parameters and bit-wise operations. However, low-bit ViTs remain largely unexplored and usually suffer from a significant performance drop compared with the real-valued counterparts. In this work, through extensive empirical analysis, we first identify the bottleneck for severe performance drop comes from the information distortion of the low-bit quantized self-attention map. We then develop an information rectification module (IRM) and a distribution guided distillation (DGD) scheme for fully quantized vision transformers (Q-ViT) to effectively eliminate such distortion, leading to a fully quantized ViTs. We evaluate our methods on popular DeiT and Swin backbones. Extensive experimental results show that our method achieves a much better performance than the prior arts. For example, our Q-ViT can theoretically accelerates the ViT-S by 6.14x and achieves about 80.9% Top-1 accuracy, even surpassing the full-precision counterpart by 1.0% on ImageNet dataset. Our codes and models are attached on https://github.com/YanjingLi0202/Q-ViT
[ Hall J ]

Symbolic music generation aims to generate music scores automatically. A recent trend is to use Transformer or its variants in music generation, which is, however, suboptimal, because the full attention cannot efficiently model the typically long music sequences (e.g., over 10,000 tokens), and the existing models have shortcomings in generating musical repetition structures. In this paper, we propose Museformer, a Transformer with a novel fine- and coarse-grained attention for music generation. Specifically, with the fine-grained attention, a token of a specific bar directly attends to all the tokens of the bars that are most relevant to music structures (e.g., the previous 1st, 2nd, 4th and 8th bars, selected via similarity statistics); with the coarse-grained attention, a token only attends to the summarization of the other bars rather than each token of them so as to reduce the computational cost. The advantages are two-fold. First, it can capture both music structure-related correlations via the fine-grained attention, and other contextual information via the coarse-grained attention. Second, it is efficient and can model over 3X longer music sequences compared to its full-attention counterpart. Both objective and subjective experimental results demonstrate its ability to generate long music sequences with high quality and better structures.
[ Hall J ]

Universally modeling all typical information extraction tasks (UIE) with one generative language model (GLM) has revealed great potential by the latest study, where various IE predictions are unified into a linearized hierarchical expression under a GLM. Syntactic structure information, a type of effective feature which has been extensively utilized in IE community, should also be beneficial to UIE. In this work, we propose a novel structure-aware GLM, fully unleashing the power of syntactic knowledge for UIE. A heterogeneous structure inductor is explored to unsupervisedly induce rich heterogeneous structural representations by post-training an existing GLM. In particular, a structural broadcaster is devised to compact various latent trees into explicit high-order forests, helping to guide a better generation during decoding. We finally introduce a task-oriented structure fine-tuning mechanism, further adjusting the learned structures to most coincide with the end-task's need. Over 12 IE benchmarks across 7 tasks our system shows significant improvements over the baseline UIE system. Further in-depth analyses show that our GLM learns rich task-adaptive structural bias that greatly resolves the UIE crux, the long-range dependence issue and boundary identifying.
[ Hall J ]
Denoising diffusion models (DDMs) have shown promising results in 3D point cloud synthesis. To advance 3D DDMs and make them useful for digital artists, we require (i) high generation quality, (ii) flexibility for manipulation and applications such as conditional synthesis and shape interpolation, and (iii) the ability to output smooth surfaces or meshes. To this end, we introduce the hierarchical Latent Point Diffusion Model (LION) for 3D shape generation. LION is set up as a variational autoencoder (VAE) with a hierarchical latent space that combines a global shape latent representation with a point-structured latent space. For generation, we train two hierarchical DDMs in these latent spaces. The hierarchical VAE approach boosts performance compared to DDMs that operate on point clouds directly, while the point-structured latents are still ideally suited for DDM-based modeling. Experimentally, LION achieves state-of-the-art generation performance on multiple ShapeNet benchmarks. Furthermore, our VAE framework allows us to easily use LION for different relevant tasks: LION excels at multimodal shape denoising and voxel-conditioned synthesis, and it can be adapted for text- and image-driven 3D generation. We also demonstrate shape autoencoding and latent shape interpolation, and we augment LION with modern surface reconstruction techniques to generate smooth 3D meshes. We …
[ Hall J ]
Much of sensory neuroscience focuses on sensory features that are chosen by the experimenter because they are thought to be behaviorally relevant to the organism. However, it is not generally known what these features are in complex, natural scenes. This work focuses on using the retinal encoding of natural movies to determine the presumably behaviorally-relevant features that the brain represents. It is prohibitive to parameterize a natural movie and its respective retinal encoding fully. We use time within a natural movie as a proxy for the whole suite of features evolving across the scene. We then use a task-agnostic deep architecture, an encoder-decoder, to model the retinal encoding process and characterize its representation of ``time in the natural scene'' in a compressed latent space. In our end-to-end training, an encoder learns a compressed latent representation from a large population of salamander retinal ganglion cells responding to natural movies, while a decoder samples from this compressed latent space to generate the appropriate movie frame. By comparing latent representations of retinal activity from three movies, we find that the retina performs transfer learning to encode time: the precise, low-dimensional representation of time learned from one movie can be used to represent time …
[ Hall J ]

Evaluating robustness of machine-learning models to adversarial examples is a challenging problem. Many defenses have been shown to provide a false sense of robustness by causing gradient-based attacks to fail, and they have been broken under more rigorous evaluations.Although guidelines and best practices have been suggested to improve current adversarial robustness evaluations, the lack of automatic testing and debugging tools makes it difficult to apply these recommendations in a systematic manner.In this work, we overcome these limitations by: (i) categorizing attack failures based on how they affect the optimization of gradient-based attacks, while also unveiling two novel failures affecting many popular attack implementations and past evaluations; (ii) proposing six novel \emph{indicators of failure}, to automatically detect the presence of such failures in the attack optimization process; and (iii) suggesting a systematic protocol to apply the corresponding fixes. Our extensive experimental analysis, involving more than 15 models in 3 distinct application domains, shows that our indicators of failure can be used to debug and improve current adversarial robustness evaluations, thereby providing a first concrete step towards automatizing and systematizing them. Our open-source code is available at: https://github.com/pralab/IndicatorsOfAttackFailure.
[ Hall J ]

Temporal Difference (TD) learning is ubiquitous in reinforcement learning, where it is often combined with off-policy sampling and function approximation. Unfortunately learning with this combination (known as the deadly triad), exhibits instability and unbounded error. To account for this, modern Reinforcement Learning methods often implicitly (or sometimes explicitly) assume that regularization is sufficient to mitigate the problem in practice; indeed, the standard deadly triad examples from the literature can be ``fixed'' via proper regularization. In this paper, we introduce a series of new counterexamples to show that the instability and unbounded error of TD methods is not solved by regularization. We demonstrate that, in the off-policy setting with linear function approximation, TD methods can fail to learn a non-trivial value function under any amount of regularization; we further show that regularization can induce divergence under common conditions; and we show that one of the most promising methods to mitigate this divergence (Emphatic TD algorithms) may also diverge under regularization. We further demonstrate such divergence when using neural networks as function approximators. Thus, we argue that the role of regularization in TD methods needs to be reconsidered, given that it is insufficient to prevent divergence and may itself introduce instability. There …
[ Hall J ]

[ Hall J ]
Spiking neural networks (SNNs) are promising brain-inspired energy-efficient models. Recent progress in training methods has enabled successful deep SNNs on large-scale tasks with low latency. Particularly, backpropagation through time (BPTT) with surrogate gradients (SG) is popularly used to enable models to achieve high performance in a very small number of time steps. However, it is at the cost of large memory consumption for training, lack of theoretical clarity for optimization, and inconsistency with the online property of biological learning rules and rules on neuromorphic hardware. Other works connect the spike representations of SNNs with equivalent artificial neural network formulation and train SNNs by gradients from equivalent mappings to ensure descent directions. But they fail to achieve low latency and are also not online. In this work, we propose online training through time (OTTT) for SNNs, which is derived from BPTT to enable forward-in-time learning by tracking presynaptic activities and leveraging instantaneous loss and gradients. Meanwhile, we theoretically analyze and prove that the gradients of OTTT can provide a similar descent direction for optimization as gradients from equivalent mapping between spike representations under both feedforward and recurrent conditions. OTTT only requires constant training memory costs agnostic to time steps, avoiding the …
[ Hall J ]

[ Hall J ]
[ Hall J ]

[ Hall J ]

We study differentially private (DP) algorithms for smooth stochastic minimax optimization, with stochastic minimization as a byproduct. The holy grail of these settings is to guarantee the optimal trade-off between the privacy and the excess population loss, using an algorithm with a linear time-complexity in the number of training samples. We provide a general framework for solving differentially private stochastic minimax optimization (DP-SMO) problems, which enables the practitioners to bring their own base optimization algorithm and use it as a black-box to obtain the near-optimal privacy-loss trade-off. Our framework is inspired from the recently proposed Phased-ERM method [22] for nonsmooth differentially private stochastic convex optimization (DP-SCO), which exploits the stability of the empirical risk minimization (ERM) for the privacy guarantee. The flexibility of our approach enables us to sidestep the requirement that the base algorithm needs to have bounded sensitivity, and allows the use of sophisticated variance-reduced accelerated methods to achieve near-linear time-complexity. To the best of our knowledge, these are the first near-linear time algorithms with near-optimal guarantees on the population duality gap for smooth DP-SMO, when the objective is (strongly-)convex--(strongly-)concave. Additionally, based on our flexible framework, we enrich the family of near-linear time algorithms for smooth DP-SCO with …
[ Hall J ]

We consider a scenario where multiple agents are learning a common decision vector from data which can be influenced by the agents’ decisions. This leads to the problem of multi-agent performative prediction (Multi-PfD). In this paper, we formulate Multi-PfD as a decentralized optimization problem that minimizes a sum of loss functions, where each loss function is based on a distribution influenced by the local decision vector. We first prove the necessary and sufficient condition for the Multi-PfD problem to admit a unique multi-agent performative stable (Multi-PS) solution. We show that enforcing consensus leads to a laxer condition for existence of Multi-PS solution with respect to the distributions’ sensitivities, compared to the single agent case. Then, we study a decentralized extension to the greedy deployment scheme [Mendler-Dünner et al., 2020], called the DSGD-GD scheme. We show that DSGD-GD converges to the Multi-PS solution and analyze its non asymptotic convergence rate. Numerical results validate our analysis.
[ Hall J ]

[ Hall J ]
Despite their ability to represent highly expressive functions, deep learning models seem to find simple solutions that generalize surprisingly well. Spectral bias -- the tendency of neural networks to prioritize learning low frequency functions -- is one possible explanation for this phenomenon, but so far spectral bias has primarily been observed in theoretical models and simplified experiments. In this work, we propose methodologies for measuring spectral bias in modern image classification networks on CIFAR-10 and ImageNet. We find that these networks indeed exhibit spectral bias, and that interventions that improve test accuracy on CIFAR-10 tend to produce learned functions that have higher frequencies overall but lower frequencies in the vicinity of examples from each class. This trend holds across variation in training time, model architecture, number of training examples, data augmentation, and self-distillation. We also explore the connections between function frequency and image frequency and find that spectral bias is sensitive to the low frequencies prevalent in natural images. On ImageNet, we find that learned function frequency also varies with internal class diversity, with higher frequencies on more diverse classes. Our work enables measuring and ultimately influencing the spectral behavior of neural networks used for image classification, and is a …
[ Hall J ]

The main challenge of multiagent reinforcement learning is the difficulty of learning useful policies in the presence of other simultaneously learning agents whose changing behaviors jointly affect the environment's transition and reward dynamics. An effective approach that has recently emerged for addressing this non-stationarity is for each agent to anticipate the learning of other agents and influence the evolution of future policies towards desirable behavior for its own benefit. Unfortunately, previous approaches for achieving this suffer from myopic evaluation, considering only a finite number of policy updates. As such, these methods can only influence transient future policies rather than achieving the promise of scalable equilibrium selection approaches that influence the behavior at convergence. In this paper, we propose a principled framework for considering the limiting policies of other agents as time approaches infinity. Specifically, we develop a new optimization objective that maximizes each agent's average reward by directly accounting for the impact of its behavior on the limiting set of policies that other agents will converge to. Our paper characterizes desirable solution concepts within this problem setting and provides practical approaches for optimizing over possible outcomes. As a result of our farsighted objective, we demonstrate better long-term performance than state-of-the-art …
[ Hall J ]
Web-crawled datasets have enabled remarkable generalization capabilities in recent image-text models such as CLIP (Contrastive Language-Image pre-training) or Flamingo, but little is known about the dataset creation processes. In this work, we introduce a testbed of six publicly available data sources---YFCC, LAION, Conceptual Captions, WIT, RedCaps, Shutterstock---to investigate how pre-training distributions induce robustness in CLIP. We find that the performance of the pre-training data varies substantially across distribution shifts, with no single data source dominating. Moreover, we systematically study the interactions between these data sources and find that mixing multiple sources does not necessarily yield better models, but rather dilutes the robustness of the best individual data source. We complement our empirical findings with theoretical insights from a simple setting, where combining the training data also results in diluted robustness. In addition, our theoretical model provides a candidate explanation for the success of the CLIP-based data filtering technique recently employed in the LAION dataset. Overall our results demonstrate that simply gathering a large amount of data from the web is not the most effective way to build a pre-training dataset for robust generalization, necessitating further study into dataset design. Code is available at https://github.com/mlfoundations/clipqualitynot_quantity.
[ Hall J ]

Developing interactive software, such as websites or games, is a particularly engaging way to learn computer science. However, teaching and giving feedback on such software is time-consuming — standard approaches require instructors to manually grade student-implemented interactive programs. As a result, online platforms that serve millions, like Code.org, are unable to provide any feedback on assignments for implementing interactive programs, which critically hinders students’ ability to learn. One approach toward automatic grading is to learn an agent that interacts with a student’s program and explores states indicative of errors via reinforcement learning. However, existing work on this approach only provides binary feedback of whether a program is correct or not, while students require finer-grained feedback on the specific errors in their programs to understand their mistakes. In this work, we show that exploring to discover errors can be cast as a meta-exploration problem. This enables us to construct a principled objective for discovering errors and an algorithm for optimizing this objective, which provides fine-grained feedback. We evaluate our approach on a set of over 700K real anonymized student programs from a Code.org interactive assignment. Our approach provides feedback with 94.3% accuracy, improving over existing approaches by 17.7% and coming within …
[ Hall J ]

In many imaging modalities, objects of interest can occur in a variety of locations and poses (i.e. are subject to translations and rotations in 2d or 3d), but the location and pose of an object does not change its semantics (i.e. the object's essence). That is, the specific location and rotation of an airplane in satellite imagery, or the 3d rotation of a chair in a natural image, or the rotation of a particle in a cryo-electron micrograph, do not change the intrinsic nature of those objects. Here, we consider the problem of learning semantic representations of objects that are invariant to pose and location in a fully unsupervised manner. We address shortcomings in previous approaches to this problem by introducing TARGET-VAE, a translation and rotation group-equivariant variational autoencoder framework. TARGET-VAE combines three core innovations: 1) a rotation and translation group-equivariant encoder architecture, 2) a structurally disentangled distribution over latent rotation, translation, and a rotation-translation-invariant semantic object representation, which are jointly inferred by the approximate inference network, and 3) a spatially equivariant generator network. In comprehensive experiments, we show that TARGET-VAE learns disentangled representations without supervision that significantly improve upon, and avoid the pathologies of, previous methods. When trained on …
[ Hall J ]
In this paper, we consider a challenging but realistic continual learning problem, Few-Shot Continual Active Learning (FoCAL), where a CL agent is provided with unlabeled data for a new or a previously learned task in each increment and the agent only has limited labeling budget available. Towards this, we build on the continual learning and active learning literature and develop a framework that can allow a CL agent to continually learn new object classes from a few labeled training examples. Our framework represents each object class using a uniform Gaussian mixture model (GMM) and uses pseudo-rehearsal to mitigate catastrophic forgetting. The framework also uses uncertainty measures on the Gaussian representations of the previously learned classes to find the most informative samples to be labeled in an increment. We evaluate our approach on the CORe-50 dataset and on a real humanoid robot for the object classification task. The results show that our approach not only produces state-of-the-art results on the dataset but also allows a real robot to continually learn unseen objects in a real environment with limited labeling supervision provided by its user.
[ Hall J ]
Offline reinforcement learning (RL) can be used to improve future performance by leveraging historical data. There exist many different algorithms for offline RL, and it is well recognized that these algorithms, and their hyperparameter settings, can lead to decision policies with substantially differing performance. This prompts the need for pipelines that allow practitioners to systematically perform algorithm-hyperparameter selection for their setting. Critically, in most real-world settings, this pipeline must only involve the use of historical data. Inspired by statistical model selection methods for supervised learning, we introduce a task- and method-agnostic pipeline for automatically training, comparing, selecting, and deploying the best policy when the provided dataset is limited in size. In particular, our work highlights the importance of performing multiple data splits to produce more reliable algorithm-hyperparameter selection. While this is a common approach in supervised learning, to our knowledge, this has not been discussed in detail in the offline RL setting. We show it can have substantial impacts when the dataset is small. Compared to alternate approaches, our proposed pipeline outputs higher-performing deployed policies from a broad range of offline policy learning algorithms and across various simulation domains in healthcare, education, and robotics. This work contributes toward the development …
[ Hall J ]

As governments and corporations adopt deep learning systems to collect and analyze user-generated audio data, concerns about security and privacy naturally emerge in areas such as automatic speaker recognition. While audio adversarial examples offer one route to mislead or evade these invasive systems, they are typically crafted through time-intensive offline optimization, limiting their usefulness in streaming contexts. Inspired by architectures for audio-to-audio tasks such as denoising and speech enhancement, we propose a neural network model capable of adversarially modifying a user's audio stream in real-time. Our model learns to apply a time-varying finite impulse response (FIR) filter to outgoing audio, allowing for effective and inconspicuous perturbations on a small fixed delay suitable for streaming tasks. We demonstrate our model is highly effective at de-identifying user speech from speaker recognition and able to transfer to an unseen recognition system. We conduct a perceptual study and find that our method produces perturbations significantly less perceptible than baseline anonymization methods, when controlling for effectiveness. Finally, we provide an implementation of our model capable of running in real-time on a single CPU thread. Audio examples and code can be found at https://interactiveaudiolab.github.io/project/voiceblock.html.
[ Hall J ]
Novel architectures have recently improved generative image synthesis leading to excellent visual quality in various tasks. Much of this success is due to the scalability of these architectures and hence caused by a dramatic increase in model complexity and in the computational resources invested in training these models. Our work questions the underlying paradigm of compressing large training data into ever growing parametric representations. We rather present an orthogonal, semi-parametric approach. We complement comparably small diffusion or autoregressive models with a separate image database and a retrieval strategy. During training we retrieve a set of nearest neighbors from this external database for each training instance and condition the generative model on these informative samples. While the retrieval approach is providing the (local) content, the model is focusing on learning the composition of scenes based on this content. As demonstrated by our experiments, simply swapping the database for one with different contents transfers a trained model post-hoc to a novel domain. The evaluation shows competitive performance on tasks which the generative model has not been trained on, such as class-conditional synthesis, zero-shot stylization or text-to-image synthesis without requiring paired text-image data. With negligible memory and computational overhead for the external database …
[ Hall J ]

Diffusion-based Deep Generative Models (DDGMs) offer state-of-the-art performance in generative modeling. Their main strength comes from their unique setup in which a model (the backward diffusion process) is trained to reverse the forward diffusion process, which gradually adds noise to the input signal. Although DDGMs are well studied, it is still unclear how the small amount of noise is transformed during the backward diffusion process. Here, we focus on analyzing this problem to gain more insight into the behavior of DDGMs and their denoising and generative capabilities. We observe a fluid transition point that changes the functionality of the backward diffusion process from generating a (corrupted) image from noise to denoising the corrupted image to the final sample. Based on this observation, we postulate to divide a DDGM into two parts: a denoiser and a generator. The denoiser could be parameterized by a denoising auto-encoder, while the generator is a diffusion-based model with its own set of parameters. We experimentally validate our proposition, showing its pros and cons.
[ Hall J ]

[ Hall J ]
Unmeasured confounding poses a significant threat to the validity of causal inference. Despite that various ad hoc methods are developed to remove confounding effects, they are subject to certain fairly strong assumptions. In this work, we consider the estimation of conditional causal effects in the presence of unmeasured confounding using observational data and historical controls. Under an interpretable transportability condition, we prove the partial identifiability of conditional average treatment effect on the treated group (CATT). For tree-based models, a new notion, \emph{confounding entropy}, is proposed to measure the discrepancy introduced by unobserved confounders between the conditional outcome distribution of the treated and control groups. The confounding entropy generalizes conventional confounding bias, and can be estimated effectively using historical controls. We develop a new method, debiased causal tree, whose splitting rule is to minimize the empirical risk regularized by the confounding entropy. Notably, our method integrates current observational data (for empirical risk) and their historical controls (for confounding entropy) harmoniously. We highlight that, debiased causal tree can not only estimate CATT well in the presence of unmeasured confounding, but also is a robust estimator of conditional average treatment effect (CATE) against the imbalance of the treated and control populations when all …
[ Hall J ]
The conflicting gradients problem is one of the major bottlenecks for the effective training of machine learning models that deal with multiple objectives. To resolve this problem, various gradient manipulation techniques, such as PCGrad, MGDA, and CAGrad, have been developed, which directly alter the conflicting gradients to refined ones with alleviated or even no conflicts. However, the existing design and analysis of these techniques are mainly conducted under the full-batch gradient setting, ignoring the fact that they are primarily applied with stochastic mini-batch gradients. In this paper, we illustrate that the stochastic gradient manipulation algorithms may fail to converge to Pareto optimal solutions. Firstly, we show that these different algorithms can be summarized into a unified algorithmic framework, where the descent direction is given by the composition of the gradients of the multiple objectives. Then we provide an explicit two-objective convex optimization instance to explicate the non-convergence issue under the unified framework, which suggests that the non-convergence results from the determination of the composite weights solely by the instantaneous stochastic gradients. To fix the non-convergence issue, we propose a novel composite weights determination scheme that exponentially averages the past calculated weights. Finally, we show the resulting new variant of stochastic …
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Multi-modal knowledge graph embeddings (KGE) have caught more and more attention in learning representations of entities and relations for link prediction tasks. Different from previous uni-modal KGE approaches, multi-modal KGE can leverage expressive knowledge from a wealth of modalities (image, text, etc.), leading to more comprehensive representations of real-world entities. However, the critical challenge along this course lies in that the multi-modal embedding spaces are usually heterogeneous. In this sense, direct fusion will destroy the inherent spatial structure of different modal embeddings. To overcome this challenge, we revisit multi-modal KGE from a distributional alignment perspective and propose optimal transport knowledge graph embeddings (OTKGE). Specifically, we model the multi-modal fusion procedure as a transport plan moving different modal embeddings to a unified space by minimizing the Wasserstein distance between multi-modal distributions. Theoretically, we show that by minimizing the Wasserstein distance between the individual modalities and the unified embedding space, the final results are guaranteed to maintain consistency and comprehensiveness. Moreover, experimental results on well-established multi-modal knowledge graph completion benchmarks show that our OTKGE achieves state-of-the-art performance.
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Partially monotone regression is a regression analysis in which the target values are monotonically increasing with respect to a subset of input features. The TensorFlow Lattice library is one of the standard machine learning libraries for partially monotone regression. It consists of several neural network layers, and its core component is the lattice layer. One of the problems of the lattice layer is that it requires the projected gradient descent algorithm with many constraints to train it. Another problem is that it cannot receive a high-dimensional input vector due to the memory consumption. We propose a novel neural network layer, the hierarchical lattice layer (HLL), as an extension of the lattice layer so that we can use a standard stochastic gradient descent algorithm to train HLL while satisfying monotonicity constraints and so that it can receive a high-dimensional input vector. Our experiments demonstrate that HLL did not sacrifice its prediction performance on real datasets compared with the lattice layer.
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Cryo-Electron Microscopy (Cryo-EM) is an important imaging method which allows high-resolution reconstruction of the 3D structures of biomolecules. It produces highly noisy 2D images by projecting a molecule's 3D density from random viewing directions. Because the projection directions are unknown, estimating the images' poses is necessary to perform the reconstruction. We focus on this task and study it under the group synchronization framework: if the relative poses of pairs of images can be approximated from the data, an estimation of the images' poses is given by the assignment which is most consistent with the relative ones.In particular, by studying the symmetries of cryo-EM, we show that relative poses in the group O(2) provide sufficient constraints to identify the images' poses, up to the molecule's chirality. With this in mind, we improve the existing multi-frequency vector diffusion maps (MFVDM) method: by using O(2) relative poses, our method not only predicts the similarity between the images' viewing directions but also recovers their poses. Hence, we can leverage all input images in a 3D reconstruction algorithm by initializing the poses with our estimation rather than just clustering and averaging the input images. We validate the recovery capabilities and robustness of our method on …
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Knowledge distillation (KD) is a general neural network training approach that uses a teacher model to guide the student model. Existing works mainly study KD from the network output side (e.g., trying to design a better KD loss function), while few have attempted to understand it from the input side. Especially, its interplay with data augmentation (DA) has not been well understood. In this paper, we ask: Why do some DA schemes (e.g., CutMix) inherently perform much better than others in KD? What makes a "good" DA in KD? Our investigation from a statistical perspective suggests that a good DA scheme should reduce the covariance of the teacher-student cross-entropy. A practical metric, the stddev of teacher’s mean probability (T. stddev), is further presented and well justified empirically. Besides the theoretical understanding, we also introduce a new entropy-based data-mixing DA scheme, CutMixPick, to further enhance CutMix. Extensive empirical studies support our claims and demonstrate how we can harvest considerable performance gains simply by using a better DA scheme in knowledge distillation. Code: https://github.com/MingSun-Tse/Good-DA-in-KD.
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Stereo matching is a classic challenging problem in computer vision, which has recently witnessed remarkable progress by Deep Neural Networks (DNNs). This paradigm shift leads to two interesting and entangled questions that have not been addressed well. First, it is unclear whether stereo matching DNNs that are trained from scratch really learn to perform matching well. This paper studies this problem from the lens of white-box adversarial attacks. It presents a method of learning stereo-constrained photometrically-consistent attacks, which by design are weaker adversarial attacks, and yet can cause catastrophic performance drop for those DNNs. This observation suggests that they may not actually learn to perform matching well in the sense that they should otherwise achieve potentially even better after stereo-constrained perturbations are introduced. Second, stereo matching DNNs are typically trained under the simulation-to-real (Sim2Real) pipeline due to the data hungriness of DNNs. Thus, alleviating the impacts of the Sim2Real photometric gap in stereo matching DNNs becomes a pressing need. Towards joint adversarially robust and domain generalizable stereo matching, this paper proposes to learn DNN-contextualized binary-pattern-driven non-parametric cost-volumes. It leverages the perspective of learning the cost aggregation via DNNs, and presents a simple yet expressive design that is fully end-to-end trainable, …
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Contrastive learning (CL) pretrains feature embeddings to scatter instances in the feature space so that the training data can be well discriminated. Most existing CL techniques usually encourage learning such feature embeddings in the highdimensional space to maximize the instance discrimination. However, this practice may lead to undesired results where the scattering instances are sparsely distributed in the high-dimensional feature space, making it difficult to capture the underlying similarity between pairwise instances. To this end, we propose a novel framework called contrastive learning with low-dimensional reconstruction (CLLR), which adopts a regularized projection layer to reduce the dimensionality of the feature embedding. In CLLR, we build the sparse / low-rank regularizer to adaptively reconstruct a low-dimensional projection space while preserving the basic objective for instance discrimination, and thus successfully learning contrastive embeddings that alleviate the above issue. Theoretically, we prove a tighter error bound for CLLR; empirically, the superiority of CLLR is demonstrated across multiple domains. Both theoretical and experimental results emphasize the significance of learning low-dimensional contrastive embeddings.
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The ability to detect anomaly has long been recognized as an inherent human ability, yet to date, practical AI solutions to mimic such capability have been lacking. This lack of progress can be attributed to several factors. To begin with, the distribution of ``abnormalities'' is intractable. Anything outside of a given normal population is by definition an anomaly. This explains why a large volume of work in this area has been dedicated to modeling the normal distribution of a given task followed by detecting deviations from it. This direction is however unsatisfying as it would require modeling the normal distribution of every task that comes along, which includes tedious data collection. In this paper, we report our work aiming to handle these issues. To deal with the intractability of abnormal distribution, we leverage Energy Based Model (EBM). EBMs learn to associates low energies to correct values and higher energies to incorrect values. At its core, the EBM employs Langevin Dynamics (LD) in generating these incorrect samples based on an iterative optimization procedure, alleviating the intractable problem of modeling the world of anomalies. Then, in order to avoid training an anomaly detector for every task, we utilize an adaptive sparse coding …
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We study the problem of representation learning in stochastic contextual linear bandits. While the primary concern in this domain is usually to find \textit{realizable} representations (i.e., those that allow predicting the reward function at any context-action pair exactly), it has been recently shown that representations with certain spectral properties (called \textit{HLS}) may be more effective for the exploration-exploitation task, enabling \textit{LinUCB} to achieve constant (i.e., horizon-independent) regret. In this paper, we propose \textsc{BanditSRL}, a representation learning algorithm that combines a novel constrained optimization problem to learn a realizable representation with good spectral properties with a generalized likelihood ratio test to exploit the recovered representation and avoid excessive exploration. We prove that \textsc{BanditSRL} can be paired with any no-regret algorithm and achieve constant regret whenever an \textit{HLS} representation is available. Furthermore, \textsc{BanditSRL} can be easily combined with deep neural networks and we show how regularizing towards \textit{HLS} representations is beneficial in standard benchmarks.
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Many potential applications of reinforcement learning (RL) are stymied by the large numbers of samples required to learn an effective policy. This is especially true when applying RL to real-world control tasks, e.g. in the sciences or robotics, where executing a policy in the environment is costly. In popular RL algorithms, agents typically explore either by adding stochasticity to a reward-maximizing policy or by attempting to gather maximal information about environment dynamics without taking the given task into account. In this work, we develop a method that allows us to plan for exploration while taking both the task and the current knowledge about the dynamics into account. The key insight to our approach is to plan an action sequence that maximizes the expected information gain about the optimal trajectory for the task at hand. We demonstrate that our method learns strong policies with 2x fewer samples than strong exploration baselines and 200x fewer samples than model free methods on a diverse set of low-to-medium dimensional control tasks in both the open-loop and closed-loop control settings.
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Deep neural networks are powerful tools to model observations over time with non-linear patterns. Despite the widespread useof neural networks in such settings, most theoretical developments of deep neural networks are under the assumption of independent observations, and theoretical results for temporally dependent observations are scarce. To bridge this gap, we study theoretical properties of deep neural networks on modeling non-linear time series data. Specifically, non-asymptotic bounds for prediction error of (sparse) feed-forward neural network with ReLU activation function is established under mixing-type assumptions. These assumptions are mild such that they include a wide range of time series models including auto-regressive models. Compared to independent observations, established convergence rates have additional logarithmic factors to compensate for additional complexity due to dependence among data points. The theoretical results are supported via various numerical simulation settings as well as an application to a macroeconomic data set.
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We study reinforcement learning (RL) in settings where observations are high-dimensional, but where an RL agent has access to abstract knowledge about the structure of the state space, as is the case, for example, when a robot is tasked to go to a specific room in a building using observations from its own camera, while having access to the floor plan. We formalize this setting as transfer reinforcement learning from an "abstract simulator," which we assume is deterministic (such as a simple model of moving around the floor plan), but which is only required to capture the target domain's latent-state dynamics approximately up to unknown (bounded) perturbations (to account for environment stochasticity). Crucially, we assume no prior knowledge about the structure of observations in the target domain except that they can be used to identify the latent states (but the decoding map is unknown). Under these assumptions, we present an algorithm, called TASID, that learns a robust policy in the target domain, with sample complexity that is polynomial in the horizon, and independent of the number of states, which is not possible without access to some prior knowledge. In synthetic experiments, we verify various properties of our algorithm and show …
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It is often said that a deep learning model is ``invariant'' to some specific type of transformation. However, what is meant by this statement strongly depends on the context in which it is made. In this paper we explore the nature of invariance and equivariance of deep learning models with the goal of better understanding the ways that they actually capture these concepts on a formal level. We introduce a family of invariance and equivariance metrics that allow us to quantify these properties in a way that disentangles them from other metrics such as loss or accuracy. We use our metrics to better understand the two most popular methods used to build invariance into networks, data augmentation and equivariant layers. We draw a range of conclusions about invariance and equivariance in deep learning models, ranging from whether initializing a model with pretrained weights has an effect on a trained model's invariance, to the extent to which invariance learned via training can generalize to out-of-distribution data.
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Simulation-based inference (SBI) solves statistical inverse problems by repeatedly running a stochastic simulator and inferring posterior distributions from model-simulations. To improve simulation efficiency, several inference methods take a sequential approach and iteratively adapt the proposal distributions from which model simulations are generated. However, many of these sequential methods are difficult to use in practice, both because the resulting optimisation problems can be challenging and efficient diagnostic tools are lacking. To overcome these issues, we present Truncated Sequential Neural Posterior Estimation (TSNPE). TSNPE performs sequential inference with truncated proposals, sidestepping the optimisation issues of alternative approaches. In addition, TSNPE allows to efficiently perform coverage tests that can scale to complex models with many parameters. We demonstrate that TSNPE performs on par with previous methods on established benchmark tasks. We then apply TSNPE to two challenging problems from neuroscience and show that TSNPE can successfully obtain the posterior distributions, whereas previous methods fail. Overall, our results demonstrate that TSNPE is an efficient, accurate, and robust inference method that can scale to challenging scientific models.
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We consider the task of training machine learning models with data-dependent constraints. Such constraints often arise as empirical versions of expected value constraints that enforce fairness or stability goals. We reformulate data-dependent constraints so that they are calibrated: enforcing the reformulated constraints guarantees that their expected value counterparts are satisfied with a user-prescribed probability. The resulting optimization problem is amendable to standard stochastic optimization algorithms, and we demonstrate the efficacy of our method on a fairness-sensitive classification task where we wish to guarantee the classifier's fairness (at test time).
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We study the problem of policy optimization (PO) with linear temporal logic (LTL) constraints. The language of LTL allows flexible description of tasks that may be unnatural to encode as a scalar cost function. We consider LTL-constrained PO as a systematic framework, decoupling task specification from policy selection, and an alternative to the standard of cost shaping. With access to a generative model, we develop a model-based approach that enjoys a sample complexity analysis for guaranteeing both task satisfaction and cost optimality (through a reduction to a reachability problem). Empirically, our algorithm can achieve strong performance even in low sample regimes.
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We investigate nonlinear instrumental variable (IV) regression given high-dimensional instruments. We propose a simple algorithm which combines kernelized IV methods and an arbitrary, adaptive regression algorithm, accessed as a black box. Our algorithm enjoys faster-rate convergence and adapts to the dimensionality of informative latent features, while avoiding an expensive minimax optimization procedure, which has been necessary to establish similar guarantees. It further brings the benefit of flexible machine learning models to quasi-Bayesian uncertainty quantification, likelihood-based model selection, and model averaging. Simulation studies demonstrate the competitive performance of our method.
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We explore the connection between outlier-robust high-dimensional statistics and non-convex optimization in the presence of sparsity constraints, with a focus on the fundamental tasks of robust sparse mean estimation and robust sparse PCA. We develop novel and simple optimization formulations for these problems such that any approximate stationary point of the associated optimization problem yields a near-optimal solution for the underlying robust estimation task. As a corollary, we obtain that any first-order method that efficiently converges to stationarity yields an efficient algorithm for these tasks. The obtained algorithms are simple, practical, and succeed under broader distributional assumptions compared to prior work.
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We introduce new planning and reinforcement learning algorithms for discounted MDPs that utilize an approximate model of the environment to accelerate the convergence of the value function. Inspired by the splitting approach in numerical linear algebra, we introduce \emph{Operator Splitting Value Iteration} (OS-VI) for both Policy Evaluation and Control problems. OS-VI achieves a much faster convergence rate when the model is accurate enough. We also introduce a sample-based version of the algorithm called OS-Dyna. Unlike the traditional Dyna architecture, OS-Dyna still converges to the correct value function in presence of model approximation error.
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Reinforcement learning (RL) is a general framework for modeling sequential decision making problems, at the core of which lies the dilemma of exploitation and exploration. An agent failing to explore systematically will inevitably fail to learn efficiently. Optimism in the face of uncertainty (OFU) is a conventionally successful strategy for efficient exploration. An agent following the OFU principle explores actively and efficiently. However, when applied to model-based RL, it involves specifying a confidence set of the underlying model and solving a series of nonlinear constrained optimization, which can be computationally intractable. This paper proposes an algorithm, Bayesian optimistic optimization (BOO), which adopts a dynamic weighting technique for enforcing the constraint rather than explicitly solving a constrained optimization problem. BOO is a general algorithm proved to be sample-efficient for models in a finite-dimensional reproducing kernel Hilbert space. We also develop techniques for effective optimization and show through some simulation experiments that BOO is competitive with the existing algorithms.
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This paper considers the problem of recovering the policies of multiple interacting experts by estimating their reward functions and constraints where the demonstration data of the experts is distributed to a group of learners. We formulate this problem as a distributed bi-level optimization problem and propose a novel bi-level ``distributed inverse constrained reinforcement learning" (D-ICRL) algorithm that allows the learners to collaboratively estimate the constraints in the outer loop and learn the corresponding policies and reward functions in the inner loop from the distributed demonstrations through intermittent communications. We formally guarantee that the distributed learners asymptotically achieve consensus which belongs to the set of stationary points of the bi-level optimization problem.
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We introduce a new multi-armed bandit model where the reward is a sum of multiple random variables, and each action only alters the distributions of some of these variables. Upon taking an action, the agent observes the realizations of all variables. This model is motivated by marketing campaigns and recommender systems, where the variables represent outcomes on individual customers, such as clicks. We propose UCB-style algorithms that estimate the uplifts of the actions over a baseline. We study multiple variants of the problem, including when the baseline and affected variables are unknown, and prove sublinear regret bounds for all of these. In addition, we provide regret lower bounds that justify the necessity of our modeling assumptions. Experiments on synthetic and real-world datasets demonstrate the benefit of methods that estimate the uplifts over policies that do not use this structure.
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Automated algorithm configuration relieves users from tedious, trial-and-error tuning tasks. A popular algorithm configuration tuning paradigm is dynamic algorithm configuration (DAC), in which an agent learns dynamic configuration policies across instances by reinforcement learning (RL). However, in many complex algorithms, there may exist different types of configuration hyperparameters, and such heterogeneity may bring difficulties for classic DAC which uses a single-agent RL policy. In this paper, we aim to address this issue and propose multi-agent DAC (MA-DAC), with one agent working for one type of configuration hyperparameter. MA-DAC formulates the dynamic configuration of a complex algorithm with multiple types of hyperparameters as a contextual multi-agent Markov decision process and solves it by a cooperative multi-agent RL (MARL) algorithm. To instantiate, we apply MA-DAC to a well-known optimization algorithm for multi-objective optimization problems. Experimental results show the effectiveness of MA-DAC in not only achieving superior performance compared with other configuration tuning approaches based on heuristic rules, multi-armed bandits, and single-agent RL, but also being capable of generalizing to different problem classes. Furthermore, we release the environments in this paper as a benchmark for testing MARL algorithms, with the hope of facilitating the application of MARL.
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Decentralized optimization is increasingly popular in machine learning for its scalability and efficiency. Intuitively, it should also provide better privacy guarantees, as nodes only observe the messages sent by their neighbors in the network graph. But formalizing and quantifying this gain is challenging: existing results are typically limited to Local Differential Privacy (LDP) guarantees that overlook the advantages of decentralization. In this work, we introduce pairwise network differential privacy, a relaxation of LDP that captures the fact that the privacy leakage from a node u to a node v may depend on their relative position in the graph. We then analyze the combination of local noise injection with (simple or randomized) gossip averaging protocols on fixed and random communication graphs. We also derive a differentially private decentralized optimization algorithm that alternates between local gradient descent steps and gossip averaging. Our results show that our algorithms amplify privacy guarantees as a function of the distance between nodes in the graph, matching the privacy-utility trade-off of the trusted curator, up to factors that explicitly depend on the graph topology. Remarkably, these factors become constant for expander graphs. Finally, we illustrate our privacy gains with experiments on synthetic and real-world datasets.
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Transformation invariances are present in many real-world problems. For example, image classification is usually invariant to rotation and color transformation: a rotated car in a different color is still identified as a car. Data augmentation, which adds the transformed data into the training set and trains a model on the augmented data, is one commonly used technique to build these invariances into the learning process. However, it is unclear how data augmentation performs theoretically and what the optimal algorithm is in presence of transformation invariances. In this paper, we study PAC learnability under transformation invariances in three settings according to different levels of realizability: (i) A hypothesis fits the augmented data; (ii) A hypothesis fits only the original data and the transformed data lying in the support of the data distribution; (iii) Agnostic case. One interesting observation is that distinguishing between the original data and the transformed data is necessary to achieve optimal accuracy in setting (ii) and (iii), which implies that any algorithm not differentiating between the original and transformed data (including data augmentation) is not optimal. Furthermore, this type of algorithms can even ``harm'' the accuracy. In setting (i), although it is unnecessary to distinguish between the two …
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Recent research has shown that generative models with highly disentangled representations fail to generalise to unseen combination of generative factor values. These findings contradict earlier research which showed improved performance in out-of-training distribution settings when compared to entangled representations. Additionally, it is not clear if the reported failures are due to (a) encoders failing to map novel combinations to the proper regions of the latent space, or (b) novel combinations being mapped correctly but the decoder is unable to render the correct output for the unseen combinations. We investigate these alternatives by testing several models on a range of datasets and training settings. We find that (i) when models fail, their encoders also fail to map unseen combinations to correct regions of the latent space and (ii) when models succeed, it is either because the test conditions do not exclude enough examples, or because excluded cases involve combinations of object properties with it's shape. We argue that to generalise properly, models not only need to capture factors of variation, but also understand how to invert the process that causes the visual stimulus.
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Understanding how the dynamics of neural networks is shaped by the computations they perform is a fundamental question in neuroscience. Recently, the framework of efficient coding proposed a theory of how spiking neural networks can compute low-dimensional stimulus signals with high efficiency. Efficient spiking networks are based on time-dependent minimization of a loss function related to information coding with spikes. To inform the understanding of the function and dynamics of biological networks in the brain, however, the mathematical models have to be informed by biology and obey the same constraints as biological networks. Currently, spiking network models of efficient coding have been extended to include some features of biological plausibility, such as architectures with excitatory and inhibitory neurons. However, biological realism of efficient coding theories is still limited to simple cases and does not include single neuron and network properties that are known to be key in biological circuits. Here, we revisit the theory of efficient coding with spikes to develop spiking neural networks that are closer to biological circuits. Namely, we find a biologically plausible spiking model realizing efficient coding in the case of a generalized leaky integrate-and-fire network with excitatory and inhibitory units, equipped with fast and slow …
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Sensory observations about the world are invariably ambiguous. Inference about the world's latent variables is thus an important computation for the brain. However, computational constraints limit the performance of these computations. These constraints include energetic costs for neural activity and noise on every channel. Efficient coding is one prominent theory that describes how such limited resources can best be used. In one incarnation, this leads to a theory of predictive coding, where predictions are subtracted from signals, reducing the cost of sending something that is already known. This theory does not, however, account for the costs or noise associated with those predictions. Here we offer a theory that accounts for both feedforward and feedback costs, and noise in all computations. We formulate this inference problem as message-passing on a graph whereby feedback serves as an internal control signal aiming to maximize how well an inference tracks a target state while minimizing the costs of computation. We apply this novel formulation of inference as control to the canonical problem of inferring the hidden scalar state of a linear dynamical system with Gaussian variability. The best solution depends on architectural constraints, such as Dale's law, the ubiquitous law that each neuron makes …
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We present a novel method for the safety verification of nonlinear dynamical models that uses neural networks to represent abstractions of their dynamics. Neural networks have extensively been used before as approximators; in this work, we make a step further and use them for the first time as abstractions. For a given dynamical model, our method synthesises a neural network that overapproximates its dynamics by ensuring an arbitrarily tight, formally certified bound on the approximation error. For this purpose, we employ a counterexample-guided inductive synthesis procedure. We show that this produces a neural ODE with non-deterministic disturbances that constitutes a formal abstraction of the concrete model under analysis. This guarantees a fundamental property: if the abstract model is safe, i.e., free from any initialised trajectory that reaches an undesirable state, then the concrete model is also safe. By using neural ODEs with ReLU activation functions as abstractions, we cast the safety verification problem for nonlinear dynamical models into that of hybrid automata with affine dynamics, which we verify using SpaceEx. We demonstrate that our approach performs comparably to the mature tool Flow* on existing benchmark nonlinear models. We additionally demonstrate and that it is effective on models that do not …
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Recent extensions to dynamic games of the well known fictitious play learning procedure in static games were proved to globally converge to stationary Nash equilibria in two important classes of dynamic games (zero-sum and identical-interest discounted stochastic games). However, those decentralized algorithms need the players to know exactly the model (the transition probabilities and their payoffs at every stage). To overcome these strong assumptions, our paper introduces regularizations of the recent algorithms which are moreover, model-free (players don't know the transitions and their payoffs are perturbed at every stage). Our novel procedures can be interpreted as extensions to stochastic games of the classical smooth fictitious play learning procedures in static games (where players best responses are regularized, thanks to a smooth perturbation of their payoff functions). We prove the convergence of our family of procedures to stationary regularized Nash equilibria in the same classes of dynamic games (zero-sum and identical interests discounted stochastic games). The proof uses the continuous smooth best-response dynamics counterparts, and stochastic approximation methods. In the case of a MDP (a one-player stochastic game), our procedures globally converge to the optimal stationary policy of the regularized problem. In that sense, they can be seen as an alternative …
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Attention mechanisms take an expectation of a data representation with respect to probability weights. Recently, (Martins et al. 2020, 2021) proposed continuous attention mechanisms, focusing on unimodal attention densities from the exponential and deformed exponential families: the latter has sparse support. (Farinhas et al 2021) extended this to to multimodality via Gaussian mixture attention densities. In this paper, we extend this to kernel exponential families (Canu and Smola 2006) and our new sparse counterpart, kernel deformed exponential families. Theoretically, we show new existence results for both kernel exponential and deformed exponential families, and that the deformed case has similar approximation capabilities to kernel exponential families. Lacking closed form expressions for the context vector, we use numerical integration: we show exponential convergence for both kernel exponential and deformed exponential families. Experiments show that kernel continuous attention often outperforms unimodal continuous attention, and the sparse variant tends to highlight peaks of time series.
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We study a constructive procedure that approximates Gateaux derivatives for statistical functionals by finite-differencing, with attention to causal inference functionals. We focus on the case where probability distributions are not known a priori but need also to be estimated from data, leading to empirical Gateaux derivatives, and study relationships between empirical, numerical, and analytical Gateaux derivatives. Starting with a case study of counterfactual mean estimation, we verify the exact relationship between finite-differences and the analytical Gateaux derivative. We then derive requirements on the rates of numerical approximation in perturbation and smoothing that preserve statistical benefits. We study more complicated functionals such as dynamic treatment regimes and the linear-programming formulation for policy optimization infinite-horizon Markov decision processes. In the case of the latter, this approach can be used to approximate bias adjustments in the presence of arbitrary constraints, illustrating the usefulness of constructive approaches for Gateaux derivatives. We find that, omitting unfavorable dimension dependence of smoothing, although rate-double robustness permits for coarser rates of perturbation size than implied by generic approximation analysis of finite-differences for the case of the counterfactual mean, this is not the case for the infinite-horizon MDP policy value.
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When subjected to automated decision-making, decision subjects may strategically modify their observable features in ways they believe will maximize their chances of receiving a favorable decision. In many practical situations, the underlying assessment rule is deliberately kept secret to avoid gaming and maintain competitive advantage. The resulting opacity forces the decision subjects to rely on incomplete information when making strategic feature modifications. We capture such settings as a game of Bayesian persuasion, in which the decision maker offers a form of recourse to the decision subject by providing them with an action recommendation (or signal) to incentivize them to modify their features in desirable ways. We show that when using persuasion, the decision maker and decision subject are never worse off in expectation, while the decision maker can be significantly better off. While the decision maker’s problem of finding the optimal Bayesian incentive compatible (BIC) signaling policy takes the form of optimization over infinitely many variables, we show that this optimization can be cast as a linear program over finitely-many regions of the space of possible assessment rules. While this reformulation simplifies the problem dramatically, solving the linear program requires reasoning about exponentially-many variables, even in relatively simple cases. Motivated …
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We give superpolynomial statistical query (SQ) lower bounds for learning two-hidden-layer ReLU networks with respect to Gaussian inputs in the standard (noise-free) model. No general SQ lower bounds were known for learning ReLU networks of any depth in this setting: previous SQ lower bounds held only for adversarial noise models (agnostic learning) (Kothari and Klivans 2014, Goel et al. 2020a, Diakonikolas et al. 2020a) or restricted models such as correlational SQ (Goel et al. 2020b, Diakonikolas et al. 2020b). Prior work hinted at the impossibility of our result: Vempala and Wilmes (2019) showed that general SQ lower bounds cannot apply to any real-valued family of functions that satisfies a simple non-degeneracy condition. To circumvent their result, we refine a lifting procedure due to Daniely and Vardi (2021) that reduces Boolean PAC learning problems to Gaussian ones. We show how to extend their technique to other learning models and, in many well-studied cases, obtain a more efficient reduction. As such, we also prove new cryptographic hardness results for PAC learning two-hidden-layer ReLU networks, as well as new lower bounds for learning constant-depth ReLU networks from membership queries.
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Predictor screening rules, which discard predictors before fitting a model, have had considerable impact on the speed with which sparse regression problems, such as the lasso, can be solved. In this paper we present a new screening rule for solving the lasso path: the Hessian Screening Rule. The rule uses second-order information from the model to provide both effective screening, particularly in the case of high correlation, as well as accurate warm starts. The proposed rule outperforms all alternatives we study on simulated data sets with both low and high correlation for (\ell_1)-regularized least-squares (the lasso) and logistic regression. It also performs best in general on the real data sets that we examine.
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Bilevel optimization has arisen as a powerful tool for solving a variety of machine learning problems. Two current popular bilevel optimizers AID-BiO and ITD-BiO naturally involve solving one or two sub-problems, and consequently, whether we solve these problems with loops (that take many iterations) or without loops (that take only a few iterations) can significantly affect the overall computational efficiency. Existing studies in the literature cover only some of those implementation choices, and the complexity bounds available are not refined enough to enable rigorous comparison among different implementations. In this paper, we first establish unified convergence analysis for both AID-BiO and ITD-BiO that are applicable to all implementation choices of loops. We then specialize our results to characterize the computational complexity for all implementations, which enable an explicit comparison among them. Our result indicates that for AID-BiO, the loop for estimating the optimal point of the inner function is beneficial for overall efficiency, although it causes higher complexity for each update step, and the loop for approximating the outer-level Hessian-inverse-vector product reduces the gradient complexity. For ITD-BiO, the two loops always coexist, and our convergence upper and lower bounds show that such loops are necessary to guarantee a vanishing convergence …
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The graph retrieval problem is to search in a large corpus of graphs for ones that are most similar to a query graph. A common consideration for scoring similarity is the maximum common subgraph (MCS) between the query and corpus graphs, usually counting the number of common edges (i.e., MCES). In some applications, it is also desirable that the common subgraph be connected, i.e., the maximum common connected subgraph (MCCS). Finding exact MCES and MCCS is intractable, but may be unnecessary if ranking corpus graphs by relevance is the goal. We design fast and trainable neural functions that approximate MCES and MCCS well. Late interaction methods compute dense representations for the query and corpus graph separately, and compare these representations using simple similarity functions at the last stage, leading to highly scalable systems. Early interaction methods combine information from both graphs right from the input stages, are usually considerably more accurate, but slower. We propose both late and early interaction neural MCES and MCCS formulations. They are both based on a continuous relaxation of a node alignment matrix between query and corpus nodes. For MCCS, we propose a novel differentiable network for estimating the size of the largest connected common …
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The quintessential model-based reinforcement-learning agent iteratively refines its estimates or prior beliefs about the true underlying model of the environment. Recent empirical successes in model-based reinforcement learning with function approximation, however, eschew the true model in favor of a surrogate that, while ignoring various facets of the environment, still facilitates effective planning over behaviors. Recently formalized as the value equivalence principle, this algorithmic technique is perhaps unavoidable as real-world reinforcement learning demands consideration of a simple, computationally-bounded agent interacting with an overwhelmingly complex environment, whose underlying dynamics likely exceed the agent's capacity for representation. In this work, we consider the scenario where agent limitations may entirely preclude identifying an exactly value-equivalent model, immediately giving rise to a trade-off between identifying a model that is simple enough to learn while only incurring bounded sub-optimality. To address this problem, we introduce an algorithm that, using rate-distortion theory, iteratively computes an approximately-value-equivalent, lossy compression of the environment which an agent may feasibly target in lieu of the true model. We prove an information-theoretic, Bayesian regret bound for our algorithm that holds for any finite-horizon, episodic sequential decision-making problem. Crucially, our regret bound can be expressed in one of two possible forms, providing a …
[ Hall J ]

Community detection in random graphs or hypergraphs is an interesting fundamental problem in statistics, machine learning and computer vision. When the hypergraphs are generated by a {\em stochastic block model}, the existence of a sharp threshold on the model parameters for community detection was conjectured by Angelini et al. 2015. In this paper, we confirm the positive part of the conjecture, the possibility of non-trivial reconstruction above the threshold, for the case of two blocks. We do so by comparing the hypergraph stochastic block model with its Erd{\"o}s-R{\'e}nyi counterpart. We also obtain estimates for the parameters of the hypergraph stochastic block model. The methods developed in this paper are generalised from the study of sparse random graphs by Mossel et al. 2015 and are motivated by the work of Yuan et al. 2022. Furthermore, we present some discussion on the negative part of the conjecture, i.e., non-reconstruction of community structures.
[ Hall J ]

We propose Differentiable Temporal Logic (DTL), a model-agnostic framework that introduces temporal constraints to deep networks. DTL treats the outputs of a network as a truth assignment of a temporal logic formula, and computes a temporal logic loss reflecting the consistency between the output and the constraints. We propose a comprehensive set of constraints, which are implicit in data annotations, and incorporate them with deep networks via DTL. We evaluate the effectiveness of DTL on the temporal action segmentation task and observe improved performance and reduced logical errors in the output of different task models. Furthermore, we provide an extensive analysis to visualize the desirable effects of DTL.
[ Hall J ]

With the emergence of varied visual navigation tasks (e.g., image-/object-/audio-goal and vision-language navigation) that specify the target in different ways, the community has made appealing advances in training specialized agents capable of handling individual navigation tasks well. Given plenty of embodied navigation tasks and task-specific solutions, we address a more fundamental question: can we learn a single powerful agent that masters not one but multiple navigation tasks concurrently? First, we propose VXN, a large-scale 3D dataset that instantiates~four classic navigation tasks in standardized, continuous, and audiovisual-rich environments. Second, we propose Vienna, a versatile embodied navigation agent that simultaneously learns to perform the four navigation tasks with one model. Building upon a full-attentive architecture, Vienna formulates various navigation tasks as a unified, parse-and-query procedure: the target description, augmented with four task embeddings, is comprehensively interpreted into a set of diversified goal vectors, which are refined as the navigation progresses, and used as queries to retrieve supportive context from episodic history for decision making. This enables the reuse of knowledge across navigation tasks with varying input domains/modalities. We empirically demonstrate that, compared with learning each visual navigation task individually, our multitask agent achieves comparable or even better performance with reduced complexity.
[ Hall J ]
Recovering a skeletal shape from a monocular video is a longstanding challenge. Prevailing nonrigid animal reconstruction methods often adopt a control-point driven animation model and optimize bone transforms individually without considering skeletal topology, yielding unsatisfactory shape and articulation. In contrast, humans can easily infer the articulation structure of an unknown character by associating it with a seen articulated object in their memory. Inspired by this fact, we present CASA, a novel category-agnostic articulated animal reconstruction method. Our method consists of two components, a video-to-shape retrieval process and a neural inverse graphics framework. During inference, CASA first finds a matched articulated shape from a 3D character assets bank so that the input video scores highly with the rendered image, according to a pretrained image-language model. It then integrates the retrieved character into an inverse graphics framework and jointly infers the shape deformation, skeleton structure, and skinning weights through optimization. Experiments validate the efficacy of our method in shape reconstruction and articulation. We further show that we can use the resulting skeletal-animated character for re-animation.
[ Hall J ]

Recent years have witnessed the rise of misinformation campaigns that spread specific narratives on social media to manipulate public opinions on different areas, such as politics and healthcare. Consequently, an effective and efficient automatic methodology to estimate the influence of the misinformation on user beliefs and activities is needed. However, existing works on misinformation impact estimation either rely on small-scale psychological experiments or can only discover the correlation between user behaviour and misinformation. To address these issues, in this paper, we build up a causal framework that model the causal effect of misinformation from the perspective of temporal point process. To adapt the large-scale data, we design an efficient yet precise way to estimate the \textbf{Individual Treatment Effect} (ITE) via neural temporal point process and gaussian mixture models. Extensive experiments on synthetic dataset verify the effectiveness and efficiency of our model. We further apply our model on a real-world dataset of social media posts and engagements about COVID-19 vaccines. The experimental results indicate that our model recognized identifiable causal effect of misinformation that hurts people's subjective emotions toward the vaccines.
[ Hall J ]
As deep learning blooms with growing demand for computation and data resources, outsourcing model training to a powerful cloud server becomes an attractive alternative to training at a low-power and cost-effective end device. Traditional outsourcing requires uploading device data to the cloud server, which can be infeasible in many real-world applications due to the often sensitive nature of the collected data and the limited communication bandwidth. To tackle these challenges, we propose to leverage widely available open-source data, which is a massive dataset collected from public and heterogeneous sources (e.g., Internet images). We develop a novel strategy called Efficient Collaborative Open-source Sampling (ECOS) to construct a proximal proxy dataset from open-source data for cloud training, in lieu of client data. ECOS probes open-source data on the cloud server to sense the distribution of client data via a communication- and computation-efficient sampling process, which only communicates a few compressed public features and client scalar responses. Extensive empirical studies show that the proposed ECOS improves the quality of automated client labeling, model compression, and label outsourcing when applied in various learning scenarios. Source codes will be released.
[ Hall J ]
Human brains are commonly modeled as networks of Regions of Interest (ROIs) and their connections for the understanding of brain functions and mental disorders. Recently, Transformer-based models have been studied over different types of data, including graphs, shown to bring performance gains widely. In this work, we study Transformer-based models for brain network analysis. Driven by the unique properties of data, we model brain networks as graphs with nodes of fixed size and order, which allows us to (1) use connection profiles as node features to provide natural and low-cost positional information and (2) learn pair-wise connection strengths among ROIs with efficient attention weights across individuals that are predictive towards downstream analysis tasks. Moreover, we propose an Orthonormal Clustering Readout operation based on self-supervised soft clustering and orthonormal projection. This design accounts for the underlying functional modules that determine similar behaviors among groups of ROIs, leading to distinguishable cluster-aware node embeddings and informative graph embeddings. Finally, we re-standardize the evaluation pipeline on the only one publicly available large-scale brain network dataset of ABIDE, to enable meaningful comparison of different models. Experiment results show clear improvements of our proposed Brain Network Transformer on both the public ABIDE and our restricted ABCD …
[ Hall J ]
Long-term fairness is an important factor of consideration in designing and deploying learning-based decision systems in high-stake decision-making contexts. Recent work has proposed the use of Markov Decision Processes (MDPs) to formulate decision-making with long-term fairness requirements in dynamically changing environments, and demonstrated major challenges in directly deploying heuristic and rule-based policies that worked well in static environments. We show that policy optimization methods from deep reinforcement learning can be used to find strictly better decision policies that can often achieve both higher overall utility and less violation of the fairness requirements, compared to previously-known strategies. In particular, we propose new methods for imposing fairness requirements in policy optimization by regularizing the advantage evaluation of different actions. Our proposed methods make it easy to impose fairness constraints without reward engineering or sacrificing training efficiency. We perform detailed analyses in three established case studies, including attention allocation in incident monitoring, bank loan approval, and vaccine distribution in population networks.
[ Hall J ]

In the past few years, graph neural networks (GNNs) have become the de facto model of choice for graph classification. While, from the theoretical viewpoint, most GNNs can operate on graphs of any size, it is empirically observed that their classification performance degrades when they are applied on graphs with sizes that differ from those in the training data. Previous works have tried to tackle this issue in graph classification by providing the model with inductive biases derived from assumptions on the generative process of the graphs, or by requiring access to graphs from the test domain. The first strategy is tied to the quality of the assumptions made for the generative process, and requires the use of specific models designed after the explicit definition of the generative process of the data, leaving open the question of how to improve the performance of generic GNN models in general settings. On the other hand, the second strategy can be applied to any GNN, but requires access to information that is not always easy to obtain. In this work we consider the scenario in which we only have access to the training data, and we propose a regularization strategy that can be …
[ Hall J ]

[ Hall J ]

We propose a new approach to automated theorem proving where an AlphaZero-style agent is self-training to refine a generic high-level expert strategy expressed as a nondeterministic program. An analogous teacher agent is self-training to generate tasks of suitable relevance and difficulty for the learner. This allows leveraging minimal amounts of domain knowledge to tackle problems for which training data is unavailable or hard to synthesize. As a specific illustration, we consider loop invariant synthesis for imperative programs and use neural networks to refine both the teacher and solver strategies.
[ Hall J ]

This paper considers doing quantile regression on censored data using neural networks (NNs). This adds to the survival analysis toolkit by allowing direct prediction of the target variable, along with a distribution-free characterisation of uncertainty, using a flexible function approximator. We begin by showing how an algorithm popular in linear models can be applied to NNs. However, the resulting procedure is inefficient, requiring sequential optimisation of an individual NN at each desired quantile. Our major contribution is a novel algorithm that simultaneously optimises a grid of quantiles output by a single NN. To offer theoretical insight into our algorithm, we show firstly that it can be interpreted as a form of expectation-maximisation, and secondly that it exhibits a desirable `self-correcting' property. Experimentally, the algorithm produces quantiles that are better calibrated than existing methods on 10 out of 12 real datasets.
[ Hall J ]

Graph classifiers are vulnerable to topological attacks. Although certificates of robustness have been recently developed, their threat model only counts local and global edge perturbations, which effectively ignores important graph structures such as isomorphism. To address this issue, we propose measuring the perturbation with the orthogonal Gromov-Wasserstein discrepancy, and building its Fenchel biconjugate to facilitate convex optimization. Our key insight is drawn from the matching loss whose root connects two variables via a monotone operator, and it yields a tight outer convex approximation for resistance distance on graph nodes. When applied to graph classification by graph convolutional networks, both our certificate and attack algorithm are demonstrated effective.
[ Hall J ]

Recent advances in deep learning optimization showed that, with some a-posteriori information on fully-trained models, it is possible to match the same performance by simply training a subset of their parameters. Such a discovery has a broad impact from theory to applications, driving the research towards methods to identify the minimum subset of parameters to train without look-ahead information exploitation. However, the methods proposed do not match the state-of-the-art performance, and rely on unstructured sparsely connected models.In this work we shift our focus from the single parameters to the behavior of the whole neuron, exploiting the concept of neuronal equilibrium (NEq). When a neuron is in a configuration at equilibrium (meaning that it has learned a specific input-output relationship), we can halt its update; on the contrary, when a neuron is at non-equilibrium, we let its state evolve towards an equilibrium state, updating its parameters. The proposed approach has been tested on different state-of-the-art learning strategies and tasks, validating NEq and observing that the neuronal equilibrium depends on the specific learning setup.
[ Hall J ]

Reinforcement learning (RL) agents are particularly hard to train when rewards are sparse. One common solution is to use intrinsic rewards to encourage agents to explore their environment. However, recent intrinsic exploration methods often use state-based novelty measures which reward low-level exploration and may not scale to domains requiring more abstract skills. Instead, we explore natural language as a general medium for highlighting relevant abstractions in an environment. Unlike previous work, we evaluate whether language can improve over existing exploration methods by directly extending (and comparing to) competitive intrinsic exploration baselines: AMIGo (Campero et al., 2021) and NovelD (Zhang et al., 2021). These language-based variants outperform their non-linguistic forms by 47-85% across 13 challenging tasks from the MiniGrid and MiniHack environment suites.
[ Hall J ]
This paper shows that masked generative adversarial network (MaskedGAN) is robust image generation learners with limited training data. The idea of MaskedGAN is simple: it randomly masks out certain image information for effective GAN training with limited data. We develop two masking strategies that work along orthogonal dimensions of training images, including a shifted spatial masking that masks the images in spatial dimensions with random shifts, and a balanced spectral masking that masks certain image spectral bands with self-adaptive probabilities. The two masking strategies complement each other which together encourage more challenging holistic learning from limited training data, ultimately suppressing trivial solutions and failures in GAN training. Albeit simple, extensive experiments show that MaskedGAN achieves superior performance consistently across different network architectures (e.g., CNNs including BigGAN and StyleGAN-v2 and Transformers including TransGAN and GANformer) and datasets (e.g., CIFAR-10, CIFAR-100, ImageNet, 100-shot, AFHQ, FFHQ and Cityscapes).
[ Hall J ]
The binding problem is one of the fundamental challenges that prevent the artificial neural network (ANNs) from a compositional understanding of the world like human perception, because disentangled and distributed representations of generative factors can interfere and lead to ambiguity when complex data with multiple objects are presented. In this paper, we propose a brain-inspired unsupervised hybrid neural network (HNN) that introduces temporal binding theory originated from neuroscience into ANNs by integrating spike timing dynamics (via spiking neural networks, SNNs) with reconstructive attention (by ANNs). Spike timing provides an additional dimension for grouping, while reconstructive feedback coordinates the spikes into temporal coherent states. Through iterative interaction of ANN and SNN, the model continuously binds multiple objects at alternative synchronous firing times in the SNN coding space. The effectiveness of the model is evaluated on five artificially generated datasets of binary images. By visualization and analysis, we demonstrate that the binding is explainable, soft, flexible, and hierarchical. Notably, the model is trained on single object datasets without explicit supervision on grouping, but can successfully bind multiple objects on test datasets, showing its compositional generalization capability. Further results show its binding ability in dynamic situations.
[ Hall J ]

We present Theseus, an efficient application-agnostic open source library for differentiable nonlinear least squares (DNLS) optimization built on PyTorch, providing a common framework for end-to-end structured learning in robotics and vision. Existing DNLS implementations are application specific and do not always incorporate many ingredients important for efficiency. Theseus is application-agnostic, as we illustrate with several example applications that are built using the same underlying differentiable components, such as second-order optimizers, standard costs functions, and Lie groups. For efficiency, Theseus incorporates support for sparse solvers, automatic vectorization, batching, GPU acceleration, and gradient computation with implicit differentiation and direct loss minimization. We do extensive performance evaluation in a set of applications, demonstrating significant efficiency gains and better scalability when these features are incorporated. Project page: https://sites.google.com/view/theseus-ai/
[ Hall J ]

Due to its high sample complexity, simulation is, as of today, critical for the successful application of reinforcement learning. Many real-world problems, however, exhibit overly complex dynamics, making their full-scale simulation computationally slow. In this paper, we show how to factorize large networked systems of many agents into multiple local regions such that we can build separate simulators that run independently and in parallel. To monitor the influence that the different local regions exert on one another, each of these simulators is equipped with a learned model that is periodically trained on real trajectories. Our empirical results reveal that distributing the simulation among different processes not only makes it possible to train large multi-agent systems in just a few hours but also helps mitigate the negative effects of simultaneous learning.
[ Hall J ]
Consider making a prediction over new test data without any opportunity to learn from a training set of labelled data - instead given access to a set of expert models and their predictions alongside some limited information about the dataset used to train them. In scenarios from finance to the medical sciences, and even consumer practice, stakeholders have developed models on private data they either cannot, or do not want to, share. Given the value and legislation surrounding personal information, it is not surprising that only the models, and not the data, will be released - the pertinent question becoming: how best to use these models? Previous work has focused on global model selection or ensembling, with the result of a single final model across the feature space. Machine learning models perform notoriously poorly on data outside their training domain however, and so we argue that when ensembling models the weightings for individual instances must reflect their respective domains - in other words models that are more likely to have seen information on that instance should have more attention paid to them. We introduce a method for such an instance-wise ensembling of models, including a novel representation learning step for …
[ Hall J ]

[ Hall J ]

This paper focuses on developing a more effective method of hierarchical propagation for semi-supervised Video Object Segmentation (VOS). Based on vision transformers, the recently-developed Associating Objects with Transformers (AOT) approach introduces hierarchical propagation into VOS and has shown promising results. The hierarchical propagation can gradually propagate information from past frames to the current frame and transfer the current frame feature from object-agnostic to object-specific. However, the increase of object-specific information will inevitably lead to the loss of object-agnostic visual information in deep propagation layers. To solve such a problem and further facilitate the learning of visual embeddings, this paper proposes a Decoupling Features in Hierarchical Propagation (DeAOT) approach. Firstly, DeAOT decouples the hierarchical propagation of object-agnostic and object-specific embeddings by handling them in two independent branches. Secondly, to compensate for the additional computation from dual-branch propagation, we propose an efficient module for constructing hierarchical propagation, i.e., Gated Propagation Module, which is carefully designed with single-head attention. Extensive experiments show that DeAOT significantly outperforms AOT in both accuracy and efficiency. On YouTube-VOS, DeAOT can achieve 86.0% at 22.4fps and 82.0% at 53.4fps. Without test-time augmentations, we achieve new state-of-the-art performance on four benchmarks, i.e., YouTube-VOS (86.2%), DAVIS 2017 (86.2%), DAVIS 2016 …
[ Hall J ]

Supervised learning aims to train a classifier under the assumption that training and test data are from the same distribution. To ease the above assumption, researchers have studied a more realistic setting: out-of-distribution (OOD) detection, where test data may come from classes that are unknown during training (i.e., OOD data). Due to the unavailability and diversity of OOD data, good generalization ability is crucial for effective OOD detection algorithms. To study the generalization of OOD detection, in this paper, we investigate the probably approximately correct (PAC) learning theory of OOD detection, which is proposed by researchers as an open problem. First, we find a necessary condition for the learnability of OOD detection. Then, using this condition, we prove several impossibility theorems for the learnability of OOD detection under some scenarios. Although the impossibility theorems are frustrating, we find that some conditions of these impossibility theorems may not hold in some practical scenarios. Based on this observation, we next give several necessary and sufficient conditions to characterize the learnability of OOD detection in some practical scenarios. Lastly, we also offer theoretical supports for several representative OOD detection works based on our OOD theory.
[ Hall J ]
Large-scale language models often learn behaviors that are misaligned with user expectations. Generated text may contain offensive or toxic language, contain significant repetition, or be of a different sentiment than desired by the user. We consider the task of unlearning these misalignments by fine-tuning the language model on signals of what not to do. We introduce Quantized Reward Konditioning (Quark), an algorithm for optimizing a reward function that quantifies an (un)wanted property, while not straying too far from the original model. Quark alternates between (i) collecting samples with the current language model, (ii) sorting them into quantiles based on reward, with each quantile identified by a reward token prepended to the language model’s input, and (iii) using a standard language modeling loss on samples from each quantile conditioned on its reward token, while remaining nearby the original language model via a KL-divergence penalty. By conditioning on a high-reward token at generation time, the model generates text that exhibits less of the unwanted property. For unlearning toxicity, negative sentiment, and repetition, our experiments show that Quark outperforms both strong baselines and state-of-the-art reinforcement learning methods like PPO, while relying only on standard language modeling primitives.
[ Hall J ]

Recently Loizou et al. (2021), proposed and analyzed stochastic gradient descent (SGD) with stochastic Polyak stepsize (SPS). The proposed SPS comes with strong convergence guarantees and competitive performance; however, it has two main drawbacks when it is used in non-over-parameterized regimes: (i) It requires a priori knowledge of the optimal mini-batch losses, which are not available when the interpolation condition is not satisfied (e.g., regularized objectives), and (ii) it guarantees convergence only to a neighborhood of the solution. In this work, we study the dynamics and the convergence properties of SGD equipped with new variants of the stochastic Polyak stepsize and provide solutions to both drawbacks of the original SPS. We first show that a simple modification of the original SPS that uses lower bounds instead of the optimal function values can directly solve issue (i). On the other hand, solving issue (ii) turns out to be more challenging and leads us to valuable insights into the method's behavior. We show that if interpolation is not satisfied, the correlation between SPS and stochastic gradients introduces a bias, which effectively distorts the expectation of the gradient signal near minimizers, leading to non-convergence - even if the stepsize is scaled down during …
[ Hall J ]

[ Hall J ]
Machine learning based traffic forecasting models leverage sophisticated spatiotemporal auto-correlations to provide accurate predictions of city-wide traffic states. However, existing methods assume a reliable and unbiased forecasting environment, which is not always available in the wild. In this work, we investigate the vulnerability of spatiotemporal traffic forecasting models and propose a practical adversarial spatiotemporal attack framework. Specifically, instead of simultaneously attacking all geo-distributed data sources, an iterative gradient guided node saliency method is proposed to identify the time-dependent set of victim nodes. Furthermore, we devise a spatiotemporal gradient descent based scheme to generate real-valued adversarial traffic states under a perturbation constraint.Meanwhile, we theoretically demonstrate the worst performance bound of adversarial traffic forecasting attacks. Extensive experiments on two real-world datasets show that the proposed two-step framework achieves up to 67.8% performance degradation on various advanced spatiotemporal forecasting models. Remarkably, we also show that adversarial training with our proposed attacks can significantly improve the robustness of spatiotemporal traffic forecasting models.
[ Hall J ]
[ Hall J ]
As several industries are moving towards modeling massive 3D virtual worlds, the need for content creation tools that can scale in terms of the quantity, quality, and diversity of 3D content is becoming evident. In our work, we aim to train performant 3D generative models that synthesize textured meshes which can be directly consumed by 3D rendering engines, thus immediately usable in downstream applications. Prior works on 3D generative modeling either lack geometric details, are limited in the mesh topology they can produce, typically do not support textures, or utilize neural renderers in the synthesis process, which makes their use in common 3D software non-trivial. In this work, we introduce GET3D, a Generative model that directly generates Explicit Textured 3D meshes with complex topology, rich geometric details, and high fidelity textures. We bridge recent success in the differentiable surface modeling, differentiable rendering as well as 2D Generative Adversarial Networks to train our model from 2D image collections. GET3D is able to generate high-quality 3D textured meshes, ranging from cars, chairs, animals, motorbikes and human characters to buildings, achieving significant improvements over previous methods.
[ Hall J ]

[ Hall J ]
CLIPDraw is an algorithm that synthesizes novel drawings from natural language input. It does not require any additional training; rather, a pre-trained CLIP language-image encoder is used as a metric for maximizing similarity between the given description and a generated drawing. Crucially, CLIPDraw operates over vector strokes rather than pixel images, which biases drawings towards simpler human-recognizable shapes. Results compare CLIPDraw with other synthesis-through-optimization methods, as well as highlight various interesting behaviors of CLIPDraw.
[ Hall J ]

Many past works aim to improve visual reasoning in models by supervising feature importance (estimated by model explanation techniques) with human annotations such as highlights of important image regions. However, recent work has shown that performance gains from feature importance (FI) supervision for Visual Question Answering (VQA) tasks persist even with random supervision, suggesting that these methods do not meaningfully align model FI with human FI. In this paper, we show that model FI supervision can meaningfully improve VQA model accuracy as well as performance on several Right-for-the-Right-Reason (RRR) metrics by optimizing for four key model objectives: (1) accurate predictions given limited but sufficient information (Sufficiency); (2) max-entropy predictions given no important information (Uncertainty); (3) invariance of predictions to changes in unimportant features (Invariance); and (4) alignment between model FI explanations and human FI explanations (Plausibility). Our best performing method, Visual Feature Importance Supervision (VISFIS), outperforms strong baselines on benchmark VQA datasets in terms of both in-distribution and out-of-distribution accuracy. While past work suggests that the mechanism for improved accuracy is through improved explanation plausibility, we show that this relationship depends crucially on explanation faithfulness (whether explanations truly represent the model’s internal reasoning). Predictions are more accurate when explanations are …
[ Hall J ]

Physics-informed neural networks (PINNs) are neural networks trained by using physical laws in the form of partial differential equations (PDEs) as soft constraints. We present a new technique for the accelerated training of PINNs that combines modern scientific computing techniques with machine learning: discretely-trained PINNs (DT-PINNs). The repeated computation of the partial derivative terms in the PINN loss functions via automatic differentiation during training is known to be computationally expensive, especially for higher-order derivatives. DT-PINNs are trained by replacing these exact spatial derivatives with high-order accurate numerical discretizations computed using meshless radial basis function-finite differences (RBF-FD) and applied via sparse-matrix vector multiplication. While in principle any high-order discretization may be used, the use of RBF-FD allows for DT-PINNs to be trained even on point cloud samples placed on irregular domain geometries. Additionally, though traditional PINNs (vanilla-PINNs) are typically stored and trained in 32-bit floating-point (fp32) on the GPU, we show that for DT-PINNs, using fp64 on the GPU leads to significantly faster training times than fp32 vanilla-PINNs with comparable accuracy. We demonstrate the efficiency and accuracy of DT-PINNs via a series of experiments. First, we explore the effect of network depth on both numerical and automatic differentiation of a neural …
[ Hall J ]
Generalization bounds which assess the difference between the true risk and the empirical risk have been studied extensively. However, to obtain bounds, current techniques use strict assumptions such as a uniformly bounded or a Lipschitz loss function. To avoid these assumptions, in this paper, we follow an alternative approach: we relax uniform bounds assumptions by using on-average bounded loss and on-average bounded gradient norm assumptions. Following this relaxation, we propose a new generalization bound that exploits the contractivity of the log-Sobolev inequalities. These inequalities add an additional loss-gradient norm term to the generalization bound, which is intuitively a surrogate of the model complexity. We apply the proposed bound on Bayesian deep nets and empirically analyze the effect of this new loss-gradient norm term on different neural architectures.
[ Hall J ]
Recently in the field of unsupervised representation learning, strong identifiability results for disentanglement of causally-related latent variables have been established by exploiting certain side information, such as class labels, in addition to independence. However, most existing work is constrained by functional form assumptions such as independent sources or further with linear transitions, and distribution assumptions such as stationary, exponential family distribution. It is unknown whether the underlying latent variables and their causal relations are identifiable if they have arbitrary, nonparametric causal influences in between. In this work, we establish the identifiability theories of nonparametric latent causal processes from their nonlinear mixtures under fixed temporal causal influences and analyze how distribution changes can further benefit the disentanglement. We propose TDRL, a principled framework to recover time-delayed latent causal variables and identify their relations from measured sequential data under stationary environments and under different distribution shifts. Specifically, the framework can factorize unknown distribution shifts into transition distribution changes under fixed and time-varying latent causal relations, and under global changes in observation. Through experiments, we show that time-delayed latent causal influences are reliably identified and that our approach considerably outperforms existing baselines that do not correctly exploit this modular representation of changes.
[ Hall J ]

For animals to navigate an uncertain world, their brains need to estimate uncertainty at the timescales of sensations and actions. Sampling-based algorithms afford a theoretically-grounded framework for probabilistic inference in neural circuits, but it remains unknown how one can implement fast sampling algorithms in biologically-plausible spiking networks. Here, we propose to leverage the population geometry, controlled by the neural code and the neural dynamics, to implement fast samplers in spiking neural networks. We first show that two classes of spiking samplers---efficient balanced spiking networks that simulate Langevin sampling, and networks with probabilistic spike rules that implement Metropolis-Hastings sampling---can be unified within a common framework. We then show that careful choice of population geometry, corresponding to the natural space of parameters, enables rapid inference of parameters drawn from strongly-correlated high-dimensional distributions in both networks. Our results suggest design principles for algorithms for sampling-based probabilistic inference in spiking neural networks, yielding potential inspiration for neuromorphic computing and testable predictions for neurobiology.
[ Hall J ]

Bayesian optimization involves "inner optimization" over a new-data acquisition criterion which is non-convex/highly multi-modal, may be non-differentiable, or may otherwise thwart local numerical optimizers. In such cases it is common to replace continuous search with a discrete one over random candidates. Here we propose using candidates based on a Delaunay triangulation of the existing input design. We detail the construction of these "tricands" and demonstrate empirically how they outperform both numerically optimized acquisitions and random candidate-based alternatives, and are well-suited for hybrid schemes, on benchmark synthetic and real simulation experiments.
[ Hall J ]
We give uniform concentration inequality for random tensors acting on rank-1 Kronecker structured signals, which parallels a Gordon-type inequality for this class of tensor structured data. Two variants of the random embedding are considered, where the embedding dimension depends on explicit quantities characterizing the complexity of the signal. As applications of the tools developed herein, we illustrate with examples from signal recovery and optimization.
[ Hall J ]

[ Hall J ]
[ Hall J ]

[ Hall J ]
[ Hall J ]

Contextual bandit algorithms have been recently studied under the federated learning setting to satisfy the demand of keeping data decentralized and pushing the learning of bandit models to the client side. But limited by the required communication efficiency, existing solutions are restricted to linear models to exploit their closed-form solutions for parameter estimation. Such a restricted model choice greatly hampers these algorithms' practical utility. In this paper, we take the first step to addressing this challenge by studying generalized linear bandit models under the federated learning setting. We propose a communication-efficient solution framework that employs online regression for local update and offline regression for global update. We rigorously proved, though the setting is more general and challenging, our algorithm can attain sub-linear rate in both regret and communication cost, which is also validated by our extensive empirical evaluations.
[ Hall J ]

Recurrent Neural Networks (RNNs) frequently exhibit complicated dynamics, and their sensitivity to the initialization process often renders them notoriously hard to train. Recent works have shed light on such phenomena analyzing when exploding or vanishing gradients may occur, either of which is detrimental for training dynamics. In this paper, we point to a formal connection between RNNs and chaotic dynamical systems and prove a qualitatively stronger phenomenon about RNNs than what exploding gradients seem to suggest. Our main result proves that under standard initialization (e.g., He, Xavier etc.), RNNs will exhibit \textit{Li-Yorke chaos} with \textit{constant} probability \textit{independent} of the network's width. This explains the experimentally observed phenomenon of \textit{scrambling}, under which trajectories of nearby points may appear to be arbitrarily close during some timesteps, yet will be far away in future timesteps. In stark contrast to their feedforward counterparts, we show that chaotic behavior in RNNs is preserved under small perturbations and that their expressive power remains exponential in the number of feedback iterations. Our technical arguments rely on viewing RNNs as random walks under non-linear activations, and studying the existence of certain types of higher-order fixed points called \textit{periodic points} in order to establish phase transitions from order to …
[ Hall J ]
[ Hall J ]

[ Hall J ]

We introduce 3DB: an extendable, unified framework for testing and debugging vision models using photorealistic simulation. We demonstrate, through a wide range of use cases, that 3DB allows users to discover vulnerabilities in computer vision systems and gain insights into how models make decisions. 3DB captures and generalizes many robustness analyses from prior work, and enables one to study their interplay. Finally, we find that the insights generated by the system transfer to the physical world. 3DB will be released as a library alongside a set of examples and documentation. We attach 3DB to the submission.
[ Hall J ]

Neural architecture search (NAS) has gained immense popularity owing to its ability to automate neural architecture design. A number of training-free metrics are recently proposed to realize NAS without training, hence making NAS more scalable. Despite their competitive empirical performances, a unified theoretical understanding of these training-free metrics is lacking. As a consequence, (a) the relationships among these metrics are unclear, (b) there is no theoretical interpretation for their empirical performances, and (c) there may exist untapped potential in existing training-free NAS, which probably can be unveiled through a unified theoretical understanding. To this end, this paper presents a unified theoretical analysis of gradient-based training-free NAS, which allows us to (a) theoretically study their relationships, (b) theoretically guarantee their generalization performances, and (c) exploit our unified theoretical understanding to develop a novel framework named hybrid NAS (HNAS) which consistently boosts training-free NAS in a principled way. Remarkably, HNAS can enjoy the advantages of both training-free (i.e., the superior search efficiency) and training-based (i.e., the remarkable search effectiveness) NAS, which we have demonstrated through extensive experiments.
[ Hall J ]

The collaborative inference systems are designed to speed up the prediction processes in edge-cloud scenarios, where the local devices and the cloud system work together to run a complex deep-learning model. However, those edge-cloud collaborative inference systems are vulnerable to emerging reconstruction attacks, where malicious cloud service providers are able to recover the edge-side users’ private data. To defend against such attacks, several defense countermeasures have been recently introduced. Unfortunately, little is known about the robustness of those defense countermeasures. In this paper, we take the first step towards measuring the robustness of those state-of-the-art defenses with respect to reconstruction attacks. Specifically, we show that the latent privacy features are still retained in the obfuscated representations. Motivated by such an observation, we design a technology called Sensitive Feature Distillation (SFD) to restore sensitive information from the protected feature representations. Our experiments show that SFD can break through defense mechanisms in model partitioning scenarios, demonstrating the inadequacy of existing defense mechanisms as a privacy-preserving technique against reconstruction attacks. We hope our findings inspire further work in improving the robustness of defense mechanisms against reconstruction attacks for collaborative inference systems.
[ Hall J ]
Unsupervised learning of latent variable models (LVMs) is widely used to represent data in machine learning. When such model reflects the ground truth factors and the mechanisms mapping them to observations, there is reason to expect that such models allow generalisation in downstream tasks. It is however well known that such identifiability guaranties are typically not achievable without putting constraints on the model class. This is notably the case for nonlinear Independent Component Analysis, in which the LVM maps statistically independent variables to observations via a deterministic nonlinear function. Several families of spurious solutions fitting perfectly the data, but that do not correspond to the ground truth factors can be constructed in generic settings. However, recent work suggests that constraining the function class of such models may promote identifiability. Specifically, function classes with constraints on their partial derivatives, gathered in the Jacobian matrix, have been proposed, such as orthogonal coordinate transformations (OCT), which impose orthogonality of the Jacobian columns. In the present work, we prove that a subclass of these transformations, conformal maps, is identifiable and provide novel theoretical results suggesting that OCTs have properties that prevent families of spurious solutions to spoil identifiability in a generic setting.
[ Hall J ]

[ Hall J ]

Contrastive learning (CL) has been the de facto technique for self-supervised representation learning (SSL), with impressive empirical success such as multi-modal representation learning. However, traditional CL loss only considers negative samples from a minibatch, which could cause biased gradients due to the non-decomposibility of the loss. For the first time, we consider optimizing a more generalized contrastive loss, where each data sample is associated with an infinite number of negative samples. We show that directly using minibatch stochastic optimization could lead to gradient bias. To remedy this, we propose an efficient Bayesian data augmentation technique to augment the contrastive loss into a decomposable one, where standard stochastic optimization can be directly applied without gradient bias. Specifically, our augmented loss defines a joint distribution over the model parameters and the augmented parameters, which can be conveniently optimized by a proposed stochastic expectation-maximization algorithm. Our framework is more general and is related to several popular SSL algorithms. We verify our framework on both small scale models and several large foundation models, including SSL of ImageNet and SSL for vision-language representation learning. Experiment results indicate the existence of gradient bias in all cases, and demonstrate the effectiveness of the proposed method on improving …
[ Hall J ]

This work analyzes the robust learning problem in the multiclass setting. Under the framework of Probably Approximately Correct (PAC) learning, we first show that the graph dimension and the Natarajan dimension, which characterize the standard multiclass learnability, are no longer applicable in robust learning problem. We then generalize these notions to the robust learning setting, denoted as the adversarial graph dimension (AG-dimension) and the adversarial Natarajan dimension (AN-dimension). Upper and lower bounds of the sample complexity of robust multiclass learning are rigorously derived based on the AG-dimension and AN-dimension, respectively. Moreover, we calculate the AG-dimension and AN-dimension of the class of linear multiclass predictors, and show that the graph (Natarajan) dimension is of the same order as the AG(AN)-dimension. Finally, we prove that the AG-dimension and AN-dimension are not equivalent.
[ Hall J ]

In the last decade, recent successes in deep clustering majorly involved the mutual information (MI) as an unsupervised objective for training neural networks with increasing regularisations. While the quality of the regularisations have been largely discussed for improvements, little attention has been dedicated to the relevance of MI as a clustering objective. In this paper, we first highlight how the maximisation of MI does not lead to satisfying clusters. We identified the Kullback-Leibler divergence as the main reason of this behaviour. Hence, we generalise the mutual information by changing its core distance, introducing the generalised mutual information (GEMINI): a set of metrics for unsupervised neural network training. Unlike MI, some GEMINIs do not require regularisations when training. Some of these metrics are geometry-aware thanks to distances or kernels in the data space. Finally, we highlight that GEMINIs can automatically select a relevant number of clusters, a property that has been little studied in deep clustering context where the number of clusters is a priori unknown.
[ Hall J ]

[ Hall J ]

Many experiments compare count outcomes among treatment groups. Examples include the number of successful signups in conversion rate experiments or the number of errors produced by software versions in canary tests. Observations typically arrive in a sequence and practitioners wish to continuously monitor their experiments, sequentially testing hypotheses while maintaining Type I error probabilities under optional stopping and continuation. These goals are frequently complicated in practice by non-stationary time dynamics. We provide practical solutions through sequential tests of multinomial hypotheses, hypotheses about many inhomogeneous Bernoulli processes and hypotheses about many time-inhomogeneous Poisson counting processes. For estimation, we further provide confidence sequences for multinomial probability vectors, all contrasts among probabilities of inhomogeneous Bernoulli processes and all contrasts among intensities of time-inhomogeneous Poisson counting processes. Together, these provide an ``anytime-valid'' inference framework for a wide variety of experiments dealing with count outcomes, which we illustrate with several industry applications.
[ Hall J ]

Out-of-distribution (OOD) detection is vital to safety-critical machine learning applications and has thus been extensively studied, with a plethora of methods developed in the literature. However, the field currently lacks a unified, strictly formulated, and comprehensive benchmark, which often results in unfair comparisons and inconclusive results. From the problem setting perspective, OOD detection is closely related to neighboring fields including anomaly detection (AD), open set recognition (OSR), and model uncertainty, since methods developed for one domain are often applicable to each other. To help the community to improve the evaluation and advance, we build a unified, well-structured codebase called OpenOOD, which implements over 30 methods developed in relevant fields and provides a comprehensive benchmark under the recently proposed generalized OOD detection framework. With a comprehensive comparison of these methods, we are gratified that the field has progressed significantly over the past few years, where both preprocessing methods and the orthogonal post-hoc methods show strong potential.
[ Hall J ]

Finance is a particularly challenging playground for deep reinforcement learning. However, establishing high-quality market environments and benchmarks for financial reinforcement learning is challenging due to three major factors, namely, low signal-to-noise ratio of financial data, survivorship bias of historical data, and backtesting overfitting. In this paper, we present an openly accessible FinRL-Meta library that has been actively maintained by the AI4Finance community. First, following a DataOps paradigm, we will provide hundreds of market environments through an automatic data curation pipeline that processes dynamic datasets from real-world markets into gym-style market environments. Second, we reproduce popular papers as stepping stones for users to design new trading strategies. We also deploy the library on cloud platforms so that users can visualize their own results and assess the relative performance via community-wise competitions. Third, FinRL-Meta provides tens of Jupyter/Python demos organized into a curriculum and a documentation website to serve the rapidly growing community. FinRL-Meta is available at: \url{https://github.com/AI4Finance-Foundation/FinRL-Meta}
[ Hall J ]
Most existing neural architecture search (NAS) benchmarks and algorithms prioritize well-studied tasks, e.g. image classification on CIFAR or ImageNet. This makes the performance of NAS approaches in more diverse areas poorly understood. In this paper, we present NAS-Bench-360, a benchmark suite to evaluate methods on domains beyond those traditionally studied in architecture search, and use it to address the following question: do state-of-the-art NAS methods perform well on diverse tasks? To construct the benchmark, we curate ten tasks spanning a diverse array of application domains, dataset sizes, problem dimensionalities, and learning objectives. Each task is carefully chosen to interoperate with modern CNN-based search methods while possibly being far-afield from its original development domain. To speed up and reduce the cost of NAS research, for two of the tasks we release the precomputed performance of 15,625 architectures comprising a standard CNN search space. Experimentally, we show the need for more robust NAS evaluation of the kind NAS-Bench-360 enables by showing that several modern NAS procedures perform inconsistently across the ten tasks, with many catastrophically poor results. We also demonstrate how NAS-Bench-360 and its associated precomputed results will enable future scientific discoveries by testing whether several recent hypotheses promoted in the NAS …
[ Hall J ]
Echocardiography is one of the most commonly used diagnostic imaging modalities in cardiology. Application of deep learning models to echocardiograms can enable automated identification of cardiac structures, estimation of cardiac function, and prediction of clinical outcomes. However, a major hindrance to realizing the full potential of deep learning is the lack of large-scale, fully curated and annotated data sets required for supervised training. High-quality pre-trained representations that can transfer useful visual features of echocardiograms to downstream tasks can help adapt deep learning models to new setups using fewer examples. In this paper, we design a suite of benchmarks that can be used to pre-train and evaluate echocardiographic representations with respect to various clinically-relevant tasks using publicly accessible data sets. In addition, we develop a unified evaluation protocol---which we call the echocardiographic task adaptation benchmark (ETAB)---that measures how well a visual representation of echocardiograms generalizes to common downstream tasks of interest. We use our benchmarking framework to evaluate state-of-the-art vision modeling pipelines. We envision that our standardized, publicly accessible benchmarks would encourage future research and expedite progress in applying deep learning to high-impact problems in cardiovascular medicine.
[ Hall J ]
Evaluating new techniques on realistic datasets plays a crucial role in the development of ML research and its broader adoption by practitioners. In recent years, there has been a significant increase of publicly available unstructured data resources for computer vision and NLP tasks. However, tabular data — which is prevalent in many high-stakes domains — has been lagging behind. To bridge this gap, we present Bank Account Fraud (BAF), the first publicly available 1 privacy-preserving, large-scale, realistic suite of tabular datasets. The suite was generated by applying state-of-the-art tabular data generation techniques on an anonymized,real-world bank account opening fraud detection dataset. This setting carries a set of challenges that are commonplace in real-world applications, including temporal dynamics and significant class imbalance. Additionally, to allow practitioners to stress test both performance and fairness of ML methods, each dataset variant of BAF contains specific types of data bias. With this resource, we aim to provide the research community with a more realistic, complete, and robust test bed to evaluate novel and existing methods.
[ Hall J ]

Humans learn from visual inputs at multiple timescales, both rapidly and flexibly acquiring visual knowledge over short periods, and robustly accumulating online learning progress over longer periods. Modeling these powerful learning capabilities is an important problem for computational visual cognitive science, and models that could replicate them would be of substantial utility in real-world computer vision settings. In this work, we establish benchmarks for both real-time and life-long continual visual learning. Our real-time learning benchmark measures a model's ability to match the rapid visual behavior changes of real humans over the course of minutes and hours, given a stream of visual inputs. Our life-long learning benchmark evaluates the performance of models in a purely online learning curriculum obtained directly from child visual experience over the course of years of development. We evaluate a spectrum of recent deep self-supervised visual learning algorithms on both benchmarks, finding that none of them perfectly match human performance, though some algorithms perform substantially better than others. Interestingly, algorithms embodying recent trends in self-supervised learning -- including BYOL, SwAV and MAE -- are substantially worse on our benchmarks than an earlier generation of self-supervised algorithms such as SimCLR and MoCo-v2. We present analysis indicating that the …
[ Hall J ]

This paper introduces ActionSense, a multimodal dataset and recording framework with an emphasis on wearable sensing in a kitchen environment. It provides rich, synchronized data streams along with ground truth data to facilitate learning pipelines that could extract insights about how humans interact with the physical world during activities of daily living, and help lead to more capable and collaborative robot assistants. The wearable sensing suite captures motion, force, and attention information; it includes eye tracking with a first-person camera, forearm muscle activity sensors, a body-tracking system using 17 inertial sensors, finger-tracking gloves, and custom tactile sensors on the hands that use a matrix of conductive threads. This is coupled with activity labels and with externally-captured data from multiple RGB cameras, a depth camera, and microphones. The specific tasks recorded in ActionSense are designed to highlight lower-level physical skills and higher-level scene reasoning or action planning. They include simple object manipulations (e.g., stacking plates), dexterous actions (e.g., peeling or cutting vegetables), and complex action sequences (e.g., setting a table or loading a dishwasher). The resulting dataset and underlying experiment framework are available at https://action-sense.csail.mit.edu. Preliminary networks and analyses explore modality subsets and cross-modal correlations. ActionSense aims to support applications including …
[ Hall J ]

We introduce Breaking Bad, a large-scale dataset of fractured objects. Our dataset consists of over one million fractured objects simulated from ten thousand base models. The fracture simulation is powered by a recent physically based algorithm that efficiently generates a variety of fracture modes of an object. Existing shape assembly datasets decompose objects according to semantically meaningful parts, effectively modeling the construction process. In contrast, Breaking Bad models the destruction process of how a geometric object naturally breaks into fragments. Our dataset serves as a benchmark that enables the study of fractured object reassembly and presents new challenges for geometric shape understanding. We analyze our dataset with several geometry measurements and benchmark three state-of-the-art shape assembly deep learning methods under various settings. Extensive experimental results demonstrate the difficulty of our dataset, calling on future research in model designs specifically for the geometric shape assembly task. We host our dataset at https://breaking-bad-dataset.github.io/.
[ Hall J ]

Flying at speed through complex environments is a challenging task that has been performed successfully by insects since the Carboniferous, but which remains a challenge for robotic and autonomous systems. Insects navigate the world using optical flow sensed by their compound eyes, which they process using a deep neural network weighing just a few milligrams. Deploying an insect-inspired network architecture in computer vision could therefore enable more efficient and effective ways of estimating structure and self-motion using optical flow. Training a bio-informed deep network to implement these tasks requires biologically relevant training, test, and validation data. To this end, we introduce FlyView, a novel bio-informed truth dataset for visual navigation. This simulated dataset is rendered using open source 3D scenes in which the observer's position is known at every frame, and is accompanied by truth data on depth, self-motion, and motion flow. This dataset comprising 42,475 frames has several key features that are missing from existing optical flow datasets, including: (i) panoramic cameras with a monocular and binocular field of view matched to that of a fly's compound eyes; (ii) dynamically meaningful self-motion modelled on motion primitives, or the 3D trajectories of drones and flies; and (iii) complex natural and …
[ Hall J ]

Machine learning on blockchain graphs is an emerging field with many applications such as ransomware payment tracking, price manipulation analysis, and money laundering detection. However, analyzing blockchain data requires domain expertise and computational resources, which pose a significant barrier and hinder advancement in this field. We introduce Chartalist, the first comprehensive platform to methodically access and use machine learning across a large selection of blockchains to address this challenge. Chartalist contains ML-ready datasets from unspent transaction output (UTXO) (e.g., Bitcoin) and account-based blockchains (e.g., Ethereum). We envision that Chartalist can facilitate data modeling, analysis, and representation of blockchain data and attract a wider community of scientists to analyze blockchains. Chartalist is an open-science initiative at https://github.com/cakcora/Chartalist.
[ Hall J ]

Traditional biological and pharmaceutical manufacturing plants are controlled by human workers or pre-defined thresholds. Modernized factories have advanced process control algorithms such as model predictive control (MPC). However, there is little exploration of applying deep reinforcement learning to control manufacturing plants. One of the reasons is the lack of high fidelity simulations and standard APIs for benchmarking. To bridge this gap, we develop an easy-to-use library that includes five high-fidelity simulation environments: BeerFMTEnv, ReactorEnv, AtropineEnv, PenSimEnv and mAbEnv, which cover a wide range of manufacturing processes. We build these environments on published dynamics models. Furthermore, we benchmark online and offline, model-based and model-free reinforcement learning algorithms for comparisons of follow-up research.
[ Hall J ]

While vision-and-language models perform well on tasks such as visual question answering, they struggle when it comes to basic human commonsense reasoning skills. In this work, we introduce WinoGAViL: an online game of vision-and-language associations (e.g., between werewolves and a full moon), used as a dynamic evaluation benchmark. Inspired by the popular card game Codenames, a spymaster gives a textual cue related to several visual candidates, and another player tries to identify them. Human players are rewarded for creating associations that are challenging for a rival AI model but still solvable by other human players. We use the game to collect 3.5K instances, finding that they are intuitive for humans (>90% Jaccard index) but challenging for state-of-the-art AI models, where the best model (ViLT) achieves a score of 52%, succeeding mostly where the cue is visually salient. Our analysis as well as the feedback we collect from players indicate that the collected associations require diverse reasoning skills, including general knowledge, common sense, abstraction, and more. We release the dataset, the code and the interactive game, allowing future data collection that can be used to develop models with better association abilities.
[ Hall J ]
There are multiple scales of abstraction from which we can describe the same image, depending on whether we are focusing on fine-grained details or a more global attribute of the image. In brain mapping, learning to automatically parse images to build representations of both small-scale features (e.g., the presence of cells or blood vessels) and global properties of an image (e.g., which brain region the image comes from) is a crucial and open challenge. However, most existing datasets and benchmarks for neuroanatomy consider only a single downstream task at a time. To bridge this gap, we introduce a new dataset, annotations, and multiple downstream tasks that provide diverse ways to readout information about brain structure and architecture from the same image. Our multi-task neuroimaging benchmark (MTNeuro) is built on volumetric, micrometer-resolution X-ray microtomography images spanning a large thalamocortical section of mouse brain, encompassing multiple cortical and subcortical regions. We generated a number of different prediction challenges and evaluated several supervised and self-supervised models for brain-region prediction and pixel-level semantic segmentation of microstructures. Our experiments not only highlight the rich heterogeneity of this dataset, but also provide insights into how self-supervised approaches can be used to learn representations that capture multiple …
[ Hall J ]

Unsustainable fishing practices worldwide pose a major threat to marine resources and ecosystems. Identifying vessels that do not show up in conventional monitoring systems---known as ``dark vessels''---is key to managing and securing the health of marine environments. With the rise of satellite-based synthetic aperture radar (SAR) imaging and modern machine learning (ML), it is now possible to automate detection of dark vessels day or night, under all-weather conditions. SAR images, however, require a domain-specific treatment and are not widely accessible to the ML community. Maritime objects (vessels and offshore infrastructure) are relatively small and sparse, challenging traditional computer vision approaches. We present the largest labeled dataset for training ML models to detect and characterize vessels and ocean structures in SAR imagery. xView3-SAR consists of nearly 1,000 analysis-ready SAR images from the Sentinel-1 mission that are, on average, 29,400-by-24,400 pixels each. The images are annotated using a combination of automated and manual analysis. Co-located bathymetry and wind state rasters accompany every SAR image. We also provide an overview of the xView3 Computer Vision Challenge, an international competition using xView3-SAR for ship detection and characterization at large scale. We release the data (\href{https://iuu.xview.us/}{https://iuu.xview.us/}) and code (\href{https://github.com/DIUx-xView}{https://github.com/DIUx-xView}) to support ongoing development and evaluation …
[ Hall J ]

Optical Chemical Structure Recognition (OCSR) deals with the translation from chemical images to molecular structures, this being the main way chemical compounds are depicted in scientific documents. Traditionally, rule-based methods have followed a framework based on the detection of chemical entities, such as atoms and bonds, followed by a compound structure reconstruction step. Recently, neural architectures analog to image captioning have been explored to solve this task, yet they still show to be data inefficient, using millions of examples just to show performances comparable with traditional methods. Looking to motivate and benchmark new approaches based on atomic-level entities detection and graph reconstruction, we present CEDe, a unique collection of chemical entity bounding boxes manually curated by experts for scientific literature datasets. These annotations combine to more than 700,000 chemical entity bounding boxes with the necessary information for structure reconstruction. Also, a large synthetic dataset containing one million molecular images and annotations is released in order to explore transfer-learning techniques that could help these architectures perform better under low-data regimes. Benchmarks show that detection-reconstruction based models can achieve performances on par with or better than image captioning-like models, even with 100x fewer training examples.
[ Hall J ]

Foundational Models (FMs) have demonstrated unprecedented capabilities including zero-shot learning, high fidelity data synthesis, and out of domain generalization. However, the parameter capacity of FMs is still limited, leading to poor out-of-the-box performance of FMs on many expert tasks (e.g. retrieval of car manuals technical illustrations from language queries), data for which is either unseen or belonging to a long-tail part of the data distribution of the huge datasets used for FM pre-training. This underlines the necessity to explicitly evaluate and finetune FMs on such expert tasks, arguably ones that appear the most in practical real-world applications. In this paper, we propose a first of its kind FETA benchmark built around the task of teaching FMs to understand technical documentation, via learning to match their graphical illustrations to corresponding language descriptions. Our FETA benchmark focuses on text-to-image and image-to-text retrieval in public car manuals and sales catalogue brochures. FETA is equipped with a procedure for completely automatic annotation extraction (code would be released upon acceptance), allowing easy extension of FETA to more documentation types and application domains in the future. Our automatic annotation leads to an automated performance metric shown to be consistent with metrics computed on human-curated annotations (also …
[ Hall J ]

[ Hall J ]

The ability of a document classifier to handle inputs that are drawn from a distribution different from the training distribution is crucial for robust deployment and generalizability. The RVL-CDIP corpus is the de facto standard benchmark for document classification, yet to our knowledge all studies that use this corpus do not include evaluation on out-of-distribution documents. In this paper, we curate and release a new out-of-distribution benchmark for evaluating out-of-distribution performance for document classifiers. Our new out-of-distribution benchmark consists of two types of documents: those that are not part of any of the 16 in-domain RVL-CDIP categories (RVL-CDIP-O), and those that are one of the 16 in-domain categories yet are drawn from a distribution different from that of the original RVL-CDIP dataset (RVL-CDIP-N). While prior work on document classification for in-domain RVL-CDIP documents reports high accuracy scores, we find that these models exhibit accuracy drops of between roughly 15-30% on our new out-of-domain RVL-CDIP-N benchmark, and further struggle to distinguish between in-domain RVL-CDIP-N and out-of-domain RVL-CDIP-O inputs. Our new benchmark provides researchers with a valuable new resource for analyzing out-of-distribution performance on document classifiers.
[ Hall J ]

To improve the sustainability and resilience of modern food systems, designing improved crop management strategies is crucial. The increasing abundance of data on agricultural systems suggests that future strategies could benefit from adapting to environmental conditions, but how to design these adaptive policies poses a new frontier. A natural technique for learning policies in these kinds of sequential decision-making problems is reinforcement learning (RL). To obtain the large number of samples required to learn effective RL policies, existing work has used mechanistic crop growth models (CGMs) as simulators. These solutions focus on single-year, single-crop simulations for learning strategies for a single agricultural management practice. However, to learn sustainable long-term policies we must be able to train in multi-year environments, with multiple crops, and consider a wider array of management techniques. We introduce CYCLESGYM, an RL environment based on the multi-year, multi-crop CGM Cycles. CYCLESGYM allows for long-term planning in agroecosystems, provides modular state space and reward constructors and weather generators, and allows for complex actions. For RL researchers, this is a novel benchmark to investigate issues arising in real-world applications. For agronomists, we demonstrate the potential of RL as a powerful optimization tool for agricultural systems management in multi-year case …
[ Hall J ]
Personalized Federated Learning (pFL), which utilizes and deploys distinct local models, has gained increasing attention in recent years due to its success in handling the statistical heterogeneity of FL clients. However, standardized evaluation and systematical analysis of diverse pFL methods remain a challenge. Firstly, the highly varied datasets, FL simulation settings and pFL implementations prevent easy and fair comparisons of pFL methods. Secondly, the current pFL literature diverges in the adopted evaluation and ablation protocols. Finally, the effectiveness and robustness of pFL methods are under-explored in various practical scenarios, such as the generalization to new clients and the participation of resource-limited clients. To tackle these challenges, we propose the first comprehensive pFL benchmark, pFL-Bench, for facilitating rapid, reproducible, standardized and thorough pFL evaluation. The proposed benchmark contains more than 10 dataset variants in various application domains with a unified data partition and realistic heterogeneous settings; a modularized and easy-to-extend pFL codebase with more than 20 competitive pFL method implementations; and systematic evaluations under containerized environments in terms of generalization, fairness, system overhead, and convergence. We highlight the benefits and potential of state-of-the-art pFL methods and hope pFL-Bench enables further pFL research and broad applications that would otherwise be difficult owing …
[ Hall J ]

We present Myriad, a testbed written in JAX which enables machine learning researchers to benchmark imitation learning and reinforcement learning algorithms against trajectory optimization-based methods in real-world environments. Myriad contains 17 optimal control problems presented in continuous time which span medicine, ecology, epidemiology, and engineering. As such, Myriad strives to serve as a stepping stone towards application of modern machine learning techniques for impactful real-world tasks. The repository also provides machine learning practitioners access to trajectory optimization techniques, not only for standalone use, but also for integration within a typical automatic differentiation workflow. Indeed, the combination of classical control theory and deep learning in a fully GPU-compatible package unlocks potential for new algorithms to arise. We present one such novel approach for use in dynamics learning and control tasks. Trained in a fully end-to-end fashion, our model leverages an implicit planning module over neural ordinary differential equations, enabling simultaneous learning and planning with unknown environment dynamics. All environments, optimizers and tools are available in the software package at \url{https://github.com/nikihowe/myriad}.
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We consider dynamical and geometrical aspects of deep learning. For many standard choices of layer maps we display semi-invariant metrics which quantify differences between data or decision functions. This allows us, when considering random layer maps and using non-commutative ergodic theorems, to deduce that certain limits exist when letting the number of layers tend to infinity. We also examine the random initialization of standard networks where we observe a surprising cut-off phenomenon in terms of the number of layers, the depth of the network. This could be a relevant parameter when choosing an appropriate number of layers for a given learning task, or for selecting a good initialization procedure. More generally, we hope that the notions and results in this paper can provide a framework, in particular a geometric one, for a part of the theoretical understanding of deep neural networks.
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[ Hall J ]

[ Hall J ]
Spectral inference on multiple networks is a rapidly-developing subfield of graph statistics. Recent work has demonstrated that joint, or simultaneous, spectral embedding of multiple independent networks can deliver more accurate estimation than individual spectral decompositions of those same networks. Such inference procedures typically rely heavily on independence assumptions across the multiple network realizations, and even in this case, little attention has been paid to the induced network correlation that can be a consequence of such joint embeddings. In this paper, we present a generalized omnibus embedding methodology and we provide a detailed analysis of this embedding across both independent and correlated networks, the latter of which significantly extends the reach of such procedures, and we describe how this omnibus embedding can itself induce correlation. This leads us to distinguish betwee inherent correlation---that is, the correlation that arises naturally in multisample network data---and induced correlation, which is an artifice of the joint embedding methodology. We show that the generalized omnibus embedding procedure is flexible and robust, and we prove both consistency and a central limit theorem for the embedded points. We examine how induced and inherent correlation can impact inference for network time series data, and we provide network analogues of …
[ Hall J ]
[ Hall J ]

We conducted a reproducibility study of the paper 'Exacerbating Algorithmic Bias through Fairness Attacks'. According to the paper, current research on adversarial attacks is primarily focused on targeting model performance, which motivates the need for adversarial attacks on fairness. To that end, the authors propose two novel data poisoning adversarial attacks, the influence attack on fairness and the anchoring attack. We aim to verify the main claims of the paper, namely that: a) the proposed methods indeed affect a model's fairness and outperform existing attacks, b) the anchoring attack hardly affects performance, while impacting fairness, and c) the influence attack on fairness provides a controllable trade-off between performance and fairness degradation.
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In this paper, we work on reproducing the results obtained in the 'Fairness and Bias in Online Selection' paper. The goal of the reproduction study is to validate the 4 main claims made by the authors. The claims made are: (1) for the multi-color secretary problem, an optimal online algorithm is fair, (2) for the multi-color secretary problem, an optimal offline algorithm is unfair, (3) for the multi-color prophet problem, an optimal online algorithm is fair (4) for the multi-color prophet problem, an optimal online algorithm is less efficient relative to the offline algorithm. The proposed algorithms and baselines are applied to the UFRGS Entrance Exam and GPA data set to evaluate generalisation. For our experiments, we reimplemented their available C++ code in Python. Our goal was to reproduce the code in an efficient manner without altering the core logic. The reproduced results support all claims made in the original paper. However, in the case of the unfair secretary algorithm (SA), some irregular results arise in the experiments due to randomness.
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Scope of Reproducibility Variational Fair Clustering (VFC) is a general variational fair clustering framework that is compatible with a large class of clustering algorithms, both prototype-based and graph-based (Ziko et al., 2021). VFC is capable of handling large datasets and offers a mechanism that allows for a trade-off between fairness and clustering quality. We run a series of experiments to evaluate the major claims made by the authors. Specifically, that VFC is on par with SOTA clustering objectives, that it is scalable, that it has a trade-off control, and that it is compatible with both prototype-based and graph-based clustering algorithms. Methodology To reproduce the results from Ziko et al., the original code is altered by removing bugs. This code is used to perform reproduction experiments to test the four claims made by the authors, as described above. Furthermore, three replication experiments have been implemented as well: different values for the trade-off parameter and Lipschitz constants have been investigated, an alternative dataset is used, and a kernel-based VFC framework has been derived and implemented. Results We found that that three of the four claims made by Ziko et al. are supported, and that one claim is partially supported. VFC is mostly …
Invited Talk: Emmanuel Candes
Conformal inference methods are becoming all the rage in academia and industry alike. In a nutshell, these methods deliver exact prediction intervals for future observations without making any distributional assumption whatsoever other than having iid, and more generally, exchangeable data. This talk will review the basic principles underlying conformal inference and survey some major contributions that have occurred in the last 2-3 years or. We will discuss enhanced conformity scores applicable to quantitative as well as categorical labels. We will also survey novel methods which deal with situations, where the distribution of observations can shift drastically — think of finance or economics where market behavior can change over time in response to new legislation or major world events, or public health where changes occur because of geography and/or policies. All along, we shall illustrate the methods with examples including the prediction of election results or COVID19-case trajectories.
Bio :Poster Session 2 Tue 29 Nov 04:00 p.m.
[ Hall J ]

We propose a flexible, yet interpretable model for high-dimensional data with time-varying second-order statistics, motivated and applied to functional neuroimaging data. Our approach implements the neuroscientific hypothesis of discrete cognitive processes by factorizing covariances into sparse spatial and smooth temporal components. Although this factorization results in parsimony and domain interpretability, the resulting estimation problem is nonconvex. We design a two-stage optimization scheme with a tailored spectral initialization, combined with iteratively refined alternating projected gradient descent. We prove a linear convergence rate up to a nontrivial statistical error for the proposed descent scheme and establish sample complexity guarantees for the estimator. Empirical results using simulated data and brain imaging data illustrate that our approach outperforms existing baselines.
[ Hall J ]

Temporal modeling is crucial for various video learning tasks. Most recent approaches employ either factorized (2D+1D) or joint (3D) spatial-temporal operations to extract temporal contexts from the input frames. While the former is more efficient in computation, the latter often obtains better performance. In this paper, we attribute this to a dilemma between the sufficiency and the efficiency of interactions among various positions in different frames. These interactions affect the extraction of task-relevant information shared among frames. To resolve this issue, we prove that frame-by-frame alignments have the potential to increase the mutual information between frame representations, thereby including more task-relevant information to boost effectiveness. Then we propose Alignment-guided Temporal Attention (ATA) to extend 1-dimensional temporal attention with parameter-free patch-level alignments between neighboring frames. It can act as a general plug-in for image backbones to conduct the action recognition task without any model-specific design. Extensive experiments on multiple benchmarks demonstrate the superiority and generality of our module.
[ Hall J ]

[ Hall J ]

Deep classifiers are known to rely on spurious features — patterns which are correlated with the target on the training data but not inherently relevant to the learning problem, such as the image backgrounds when classifying the foregrounds. In this paper we evaluate the amount of information about the core (non-spurious) features that can be decoded from the representations learned by standard empirical risk minimization (ERM) and specialized group robustness training. Following recent work on Deep Feature Reweighting (DFR), we evaluate the feature representations by re-training the last layer of the model on a held-out set where the spurious correlation is broken. On multiple vision and NLP problems, we show that the features learned by simple ERM are highly competitive with the features learned by specialized group robustness methods targeted at reducing the effect of spurious correlations. Moreover, we show that the quality of learned feature representations is greatly affected by the design decisions beyond the training method, such as the model architecture and pre-training strategy. On the other hand, we find that strong regularization is not necessary for learning high-quality feature representations.Finally, using insights from our analysis, we significantly improve upon the best results reported in the literature on …
[ Hall J ]

Many data have an underlying dependence on spatial location; it may be weather on the Earth, a simulation on a mesh, or a registered image. Yet this feature is rarely taken advantage of, and violates common assumptions made by many neural network layers, such as translation equivariance. Further, many works that do incorporate locality fail to capture fine-grained structure. To address this, we introduce the Spatial Mixture-of-Experts (SMoE) layer, a sparsely-gated layer that learns spatial structure in the input domain and routes experts at a fine-grained level to utilize it. We also develop new techniques to train SMoEs, including a self-supervised routing loss and damping expert errors. Finally, we show strong results for SMoEs on numerous tasks, and set new state-of-the-art results for medium-range weather prediction and post-processing ensemble weather forecasts.
[ Hall J ]
The ability to extrapolate from short problem instances to longer ones is an important form of out-of-distribution generalization in reasoning tasks, and is crucial when learning from datasets where longer problem instances are rare. These include theorem proving, solving quantitative mathematics problems, and reading/summarizing novels. In this paper, we run careful empirical studies exploring the length generalization capabilities of transformer-based language models. We first establish that naively finetuning transformers on length generalization tasks shows significant generalization deficiencies independent of model scale. We then show that combining pretrained large language models' in-context learning abilities with scratchpad prompting (asking the model to output solution steps before producing an answer) results in a dramatic improvement in length generalization. We run careful failure analyses on each of the learning modalities and identify common sources of mistakes that highlight opportunities in equipping language models with the ability to generalize to longer problems.
[ Hall J ]

Recent works on machine learning for combinatorial optimization have shown that learning based approaches can outperform heuristic methods in terms of speed and performance. In this paper, we consider the problem of finding an optimal topological order on a directed acyclic graph (DAG) with focus on the memory minimization problem which arises in compilers. We propose an end-to-end machine learning based approach for topological ordering using an encoder-decoder framework. Our encoder is a novel attention based graph neural network architecture called \emph{Topoformer} which uses different topological transforms of a DAG for message passing. The node embeddings produced by the encoder are converted into node priorities which are used by the decoder to generate a probability distribution over topological orders. We train our model on a dataset of synthetically generated graphs called layered graphs. We show that our model outperforms, or is on-par, with several topological ordering baselines while being significantly faster on synthetic graphs with up to 2k nodes. We also train and test our model on a set of real-world computation graphs, showing performance improvements.
[ Hall J ]
We present radiance field propagation (RFP), a novel approach to segmenting objects in 3D during reconstruction given only unlabeled multi-view images of a scene. RFP is derived from emerging neural radiance field-based techniques, which jointly encodes semantics with appearance and geometry. The core of our method is a novel propagation strategy for individual objects' radiance fields with a bidirectional photometric loss, enabling an unsupervised partitioning of a scene into salient or meaningful regions corresponding to different object instances. To better handle complex scenes with multiple objects and occlusions, we further propose an iterative expectation-maximization algorithm to refine object masks. To the best of our knowledge, RFP is the first unsupervised approach for tackling 3D scene object segmentation for neural radiance field (NeRF) without any supervision, annotations, or other cues such as 3D bounding boxes and prior knowledge of object class. Experiments demonstrate that RFP achieves feasible segmentation results that are more accurate than previous unsupervised image/scene segmentation approaches, and are comparable to existing supervised NeRF-based methods. The segmented object representations enable individual 3D object editing operations. Codes and datasets will be made publicly available.
[ Hall J ]
We introduce an offline multi-agent reinforcement learning ( offline MARL) framework that utilizes previously collected data without additional online data collection. Our method reformulates offline MARL as a sequence modeling problem and thus builds on top of the simplicity and scalability of the Transformer architecture. In the fashion of centralized training and decentralized execution, we propose to first train a teacher policy as if the MARL dataset is generated by a single agent. After the teacher policy has identified and recombined the "good" behavior in the dataset, we create separate student policies and distill not only the teacher policy's features but also its structural relations among different agents' features to student policies. Despite its simplicity, the proposed method outperforms state-of-the-art model-free offline MARL baselines while being more robust to demonstration's quality on several environments.
[ Hall J ]

Meta reinforcement learning (Meta-RL) is an approach wherein the experience gained from solving a variety of tasks is distilled into a meta-policy. The meta-policy, when adapted over only a small (or just a single) number of steps, is able to perform near-optimally on a new, related task. However, a major challenge to adopting this approach to solve real-world problems is that they are often associated with sparse reward functions that only indicate whether a task is completed partially or fully. We consider the situation where some data, possibly generated by a sub-optimal agent, is available for each task. We then develop a class of algorithms entitled Enhanced Meta-RL via Demonstrations (EMRLD) that exploit this information---even if sub-optimal---to obtain guidance during training. We show how EMRLD jointly utilizes RL and supervised learning over the offline data to generate a meta-policy that demonstrates monotone performance improvements. We also develop a warm started variant called EMRLD-WS that is particularly efficient for sub-optimal demonstration data. Finally, we show that our EMRLD algorithms significantly outperform existing approaches in a variety of sparse reward environments, including that of a mobile robot.
[ Hall J ]

Maximizing the separation between classes constitutes a well-known inductive bias in machine learning and a pillar of many traditional algorithms. By default, deep networks are not equipped with this inductive bias and therefore many alternative solutions have been proposed through differential optimization. Current approaches tend to optimize classification and separation jointly: aligning inputs with class vectors and separating class vectors angularly. This paper proposes a simple alternative: encoding maximum separation as an inductive bias in the network by adding one fixed matrix multiplication before computing the softmax activations. The main observation behind our approach is that separation does not require optimization but can be solved in closed-form prior to training and plugged into a network. We outline a recursive approach to obtain the matrix consisting of maximally separable vectors for any number of classes, which can be added with negligible engineering effort and computational overhead. Despite its simple nature, this one matrix multiplication provides real impact. We show that our proposal directly boosts classification, long-tailed recognition, out-of-distribution detection, and open-set recognition, from CIFAR to ImageNet. We find empirically that maximum separation works best as a fixed bias; making the matrix learnable adds nothing to the performance. The closed-form implementation and …
[ Hall J ]

Deep neural networks are powerful tools to detect hidden patterns in data and leverage them to make predictions, but they are not designed to understand uncertainty and estimate reliable probabilities. In particular, they tend to be overconfident. We begin to address this problem in the context of multi-class classification by developing a novel training algorithm producing models with more dependable uncertainty estimates, without sacrificing predictive power. The idea is to mitigate overconfidence by minimizing a loss function, inspired by advances in conformal inference, that quantifies model uncertainty by carefully leveraging hold-out data. Experiments with synthetic and real data demonstrate this method can lead to smaller conformal prediction sets with higher conditional coverage, after exact calibration with hold-out data, compared to state-of-the-art alternatives.
[ Hall J ]
Addressing the interpretability problem of NMF on Boolean data, Boolean Matrix Factorization (BMF) uses Boolean algebra to decompose the input into low-rank Boolean factor matrices. These matrices are highly interpretable and very useful in practice, but they come at the high computational cost of solving an NP-hard combinatorial optimization problem. To reduce the computational burden, we propose to relax BMF continuously using a novel elastic-binary regularizer, from which we derive a proximal gradient algorithm. Through an extensive set of experiments, we demonstrate that our method works well in practice: On synthetic data, we show that it converges quickly, recovers the ground truth precisely, and estimates the simulated rank exactly. On real-world data, we improve upon the state of the art in recall, loss, and runtime, and a case study from the medical domain confirms that our results are easily interpretable and semantically meaningful.
[ Hall J ]
Continuous hidden Markov models (HMMs) assume that observations are generated from a mixture of Gaussian densities, limiting their ability to model more complex distributions. In this work, we address this shortcoming and propose novel continuous HMM models, dubbed FlowHMMs, that enable learning general continuous observation densities without constraining them to follow a Gaussian distribution or their mixtures. To that end, we leverage deep flow-based architectures that model complex, non-Gaussian functions and propose two variants of training a FlowHMM model. The first one, based on gradient-based technique, can be applied directly to continuous multidimensional data, yet its application to larger data sequences remains computationally expensive. Therefore, we also present a second approach to training our FlowHMM that relies on the co-occurrence matrix of discretized observations and considers the joint distribution of pairs of co-observed values, hence rendering the training time independent of the training sequence length. As a result, we obtain a model that can be flexibly adapted to the characteristics and dimensionality of the data. We perform a variety of experiments in which we compare both training strategies with a baseline of Gaussian mixture models. We show, that in terms of quality of the recovered probability distribution, accuracy of prediction …
[ Hall J ]
Averaging the parameters of models that have the same architecture and initialization can provide a means of combining their respective capabilities. In this paper, we take the perspective that this "merging" operation can be seen as choosing parameters that approximately maximize the joint likelihood of the posteriors of the models' parameters. Computing a simple average of the models' parameters therefore corresponds to making an isotropic Gaussian approximation to their posteriors. We develop an alternative merging procedure based on the Laplace approximation where we approximate each model's posterior as a Gaussian distribution whose precision matrix corresponds to its Fisher information. We first show that our "Fisher merging" technique provides a performance boost in settings where simple parameter averaging is currently used -- specifically, robust fine-tuning and model ensembling. Then, we compare merging to standard gradient-based transfer learning and demonstrate that merging enables a fundamentally different method for transferring capabilities across models. Specifically, we show that Fisher merging is competitive with gradient-based transfer learning approaches (while being significantly cheaper) in intermediate-task training and domain-adaptive pre-training. We also show that our merging procedure makes it possible to combine models in previously unexplored ways. We release our code to facilitate future research into methods …
[ Hall J ]

[ Hall J ]
In many multi-agent settings, participants can form teams to achieve collective outcomes that may far surpass their individual capabilities. Measuring the relative contributions of agents and allocating them shares of the reward that promote long-lasting cooperation are difficult tasks. Cooperative game theory offers solution concepts identifying distribution schemes, such as the Shapley value, that fairly reflect the contribution of individuals to the performance of the team or the Core, which reduces the incentive of agents to abandon their team. Applications of such methods include identifying influential features and sharing the costs of joint ventures or team formation. Unfortunately, using these solutions requires tackling a computational barrier as they are hard to compute, even in restricted settings. In this work, we show how cooperative game-theoretic solutions can be distilled into a learned model by training neural networks to propose fair and stable payoff allocations. We show that our approach creates models that can generalize to games far from the training distribution and can predict solutions for more players than observed during training. An important application of our framework is Explainable AI: our approach can be used to speed-up Shapley value computations on many instances.
[ Hall J ]

Multiple Instance Learning (MIL) has been widely applied in pathology towards solving critical problems such as automating cancer diagnosis and grading, predicting patient prognosis, and therapy response. Deploying these models in a clinical setting requires careful inspection of these black boxes during development and deployment to identify failures and maintain physician trust. In this work, we propose a simple formulation of MIL models, which enables interpretability while maintaining similar predictive performance. Our Additive MIL models enable spatial credit assignment such that the contribution of each region in the image can be exactly computed and visualized. We show that our spatial credit assignment coincides with regions used by pathologists during diagnosis and improves upon classical attention heatmaps from attention MIL models. We show that any existing MIL model can be made additive with a simple change in function composition. We also show how these models can debug model failures, identify spurious features, and highlight class-wise regions of interest, enabling their use in high-stakes environments such as clinical decision-making.
[ Hall J ]
We propose a new method for approximating active learning acquisition strategies that are based on retraining with hypothetically-labeled candidate data points. Although this is usually infeasible with deep networks, we use the neural tangent kernel to approximate the result of retraining, and prove that this approximation works asymptotically even in an active learning setup -- approximating look-ahead'' selection criteria with far less computation required. This also enables us to conduct sequential active learning, i.e.\ updating the model in a streaming regime, without needing to retrain the model with SGD after adding each new data point. Moreover, our querying strategy, which better understands how the model's predictions will change by adding new data points in comparison to the standard (
myopic'') criteria, beats other look-ahead strategies by large margins, and achieves equal or better performance compared to state-of-the-art methods on several benchmark datasets in pool-based active learning.
[ Hall J ]
Transformers have achieved remarkable success in several domains, ranging from natural language processing to computer vision. Nevertheless, it has been recently shown that stacking self-attention layers — the distinctive architectural component of Transformers — can result in rank collapse of the tokens’ representations at initialization. The question of if and how rank collapse affects training is still largely unanswered, and its investigation is necessary for a more comprehensive understanding of this architecture. In this work, we shed new light on the causes and the effects of this phenomenon. First, we show that rank collapse of the tokens’ representations hinders training by causing the gradients of the queries and keys to vanish at initialization. Furthermore, we provide a thorough description of the origin of rank collapse and discuss how to prevent it via an appropriate depth-dependent scaling of the residual branches. Finally, our analysis unveils that specific architectural hyperparameters affect the gradients of queries, keys and values differently, leading to disproportionate gradient norms. This suggests an explanation for the widespread use of adaptive methods for Transformers' optimization.
[ Hall J ]

[ Hall J ]

[ Hall J ]

Robust generalization to new concepts has long remained a distinctive feature of human intelligence. However, recent progress in deep generative models has now led to neural architectures capable of synthesizing novel instances of unknown visual concepts from a single training example. Yet, a more precise comparison between these models and humans is not possible because existing performance metrics for generative models (i.e., FID, IS, likelihood) are not appropriate for the one-shot generation scenario. Here, we propose a new framework to evaluate one-shot generative models along two axes: sample recognizability vs. diversity (i.e., intra-class variability). Using this framework, we perform a systematic evaluation of representative one-shot generative models on the Omniglot handwritten dataset. We first show that GAN-like and VAE-like models fall on opposite ends of the diversity-recognizability space. Extensive analyses of the effect of key model parameters further revealed that spatial attention and context integration have a linear contribution to the diversity-recognizability trade-off. In contrast, disentanglement transports the model along a parabolic curve that could be used to maximize recognizability. Using the diversity-recognizability framework, we were able to identify models and parameters that closely approximate human data.
[ Hall J ]

Deformable shapes provide important and complex geometric features of objects presented in images. However, such information is oftentimes missing or underutilized as implicit knowledge in many image analysis tasks. This paper presents Geo-SIC, the first deep learning model to learn deformable shapes in a deformation space for an improved performance of image classification. We introduce a newly designed framework that (i) simultaneously derives features from both image and latent shape spaces with large intra-class variations; and (ii) gains increased model interpretability by allowing direct access to the underlying geometric features of image data. In particular, we develop a boosted classification network, equipped with an unsupervised learning of geometric shape representations characterized by diffeomorphic transformations within each class. In contrast to previous approaches using pre-extracted shapes, our model provides a more fundamental approach by naturally learning the most relevant shape features jointly with an image classifier. We demonstrate the effectiveness of our method on both simulated 2D images and real 3D brain magnetic resonance (MR) images. Experimental results show that our model substantially improves the image classification accuracy with an additional benefit of increased model interpretability. Our code is publicly available at https://github.com/jw4hv/Geo-SIC.
[ Hall J ]

Transformers with multi-head self-attention have achieved remarkable success in sequence modeling and beyond. However, they suffer from high computational and memory complexities for computing the attention matrix at each head. Recently, it has been shown that those attention matrices lie on a low-dimensional manifold and, thus, are redundant. We propose the Transformer with a Finite Admixture of Shared Heads (FiSHformers), a novel class of efficient and flexible transformers that allow the sharing of attention matrices between attention heads. At the core of FiSHformer is a novel finite admixture model of shared heads (FiSH) that samples attention matrices from a set of global attention matrices. The number of global attention matrices is much smaller than the number of local attention matrices generated. FiSHformers directly learn these global attention matrices rather than the local ones as in other transformers, thus significantly improving the computational and memory efficiency of the model. We empirically verify the advantages of the FiSHformer over the baseline transformers in a wide range of practical applications including language modeling, machine translation, and image classification. On the WikiText-103, IWSLT'14 De-En and WMT'14 En-De, FiSHformers use much fewer floating-point operations per second (FLOPs), memory, and parameters compared to the baseline transformers.
[ Hall J ]

In federated learning, a strong global model is collaboratively learned by aggregating clients' locally trained models. Although this precludes the need to access clients' data directly, the global model's convergence often suffers from data heterogeneity. This study starts from an analogy to continual learning and suggests that forgetting could be the bottleneck of federated learning. We observe that the global model forgets the knowledge from previous rounds, and the local training induces forgetting the knowledge outside of the local distribution. Based on our findings, we hypothesize that tackling down forgetting will relieve the data heterogeneity problem. To this end, we propose a novel and effective algorithm, Federated Not-True Distillation (FedNTD), which preserves the global perspective on locally available data only for the not-true classes. In the experiments, FedNTD shows state-of-the-art performance on various setups without compromising data privacy or incurring additional communication costs.
[ Hall J ]
We propose an information-theoretic knowledge distillation approach for the compression of generative adversarial networks, which aims to maximize the mutual information between teacher and student networks via a variational optimization based on an energy-based model. Because the direct computation of the mutual information in continuous domains is intractable, our approach alternatively optimizes the student network by maximizing the variational lower bound of the mutual information. To achieve a tight lower bound, we introduce an energy-based model relying on a deep neural network to represent a flexible variational distribution that deals with high-dimensional images and consider spatial dependencies between pixels, effectively. Since the proposed method is a generic optimization algorithm, it can be conveniently incorporated into arbitrary generative adversarial networks and even dense prediction networks, e.g., image enhancement models. We demonstrate that the proposed algorithm achieves outstanding performance in model compression of generative adversarial networks consistently when combined with several existing models.
[ Hall J ]

We propose VRL3, a powerful data-driven framework with a simple design for solving challenging visual deep reinforcement learning (DRL) tasks. We analyze a number of major obstacles in taking a data-driven approach, and present a suite of design principles, novel findings, and critical insights about data-driven visual DRL. Our framework has three stages: in stage 1, we leverage non-RL datasets (e.g. ImageNet) to learn task-agnostic visual representations; in stage 2, we use offline RL data (e.g. a limited number of expert demonstrations) to convert the task-agnostic representations into more powerful task-specific representations; in stage 3, we fine-tune the agent with online RL. On a set of challenging hand manipulation tasks with sparse reward and realistic visual inputs, compared to the previous SOTA, VRL3 achieves an average of 780% better sample efficiency. And on the hardest task, VRL3 is 1220% more sample efficient (2440% when using a wider encoder) and solves the task with only 10% of the computation. These significant results clearly demonstrate the great potential of data-driven deep reinforcement learning.
[ Hall J ]

Counterfactual explanations promote explainability in machine learning models by answering the question “how should the input instance be altered to obtain a desired predicted label?". The comparison of this instance before and after perturbation can enhance human interpretation. Most existing studies on counterfactual explanations are limited in tabular data or image data. In this paper, we study the problem of counterfactual explanation generation on graphs. A few studies have explored to generate counterfactual explanations on graphs, but many challenges of this problem are still not well-addressed: 1) optimizing in the discrete and disorganized space of graphs; 2) generalizing on unseen graphs; 3) maintaining the causality in the generated counterfactuals without prior knowledge of the causal model. To tackle these challenges, we propose a novel framework CLEAR which aims to generate counterfactual explanations on graphs for graph-level prediction models. Specifically, CLEAR leverages a graph variational autoencoder based mechanism to facilitate its optimization and generalization, and promotes causality by leveraging an auxiliary variable to better identify the causal model. Extensive experiments on both synthetic and real-world graphs validate the superiority of CLEAR over state-of-the-art counterfactual explanation methods on graphs in different aspects.
[ Hall J ]

Unsupervised out-of-distribution (OOD) detection is essential for the reliability of machine learning. In the literature, existing work has shown that higher-level semantics captured by hierarchical VAEs can be used to detect OOD instances.However, we empirically show that, the inherent issue of hierarchical VAEs, i.e., `posterior collapse'', would seriously limit their capacity for OOD detection.Based on a thorough analysis for
posterior collapse'', we propose a novel informative hierarchical VAE to alleviate this issue through enhancing the connections between the data sample and its multi-layer stochastic latent representations during training.Furthermore, we propose a novel score function for unsupervised OOD detection, referred to as Adaptive Likelihood Ratio. With this score function, one can selectively aggregate the semantic information on multiple hidden layers of hierarchical VAEs, leading to a strong separability between in-distribution and OOD samples. Experimental results demonstrate that our method can significantly outperform existing state-of-the-art unsupervised OOD detection approaches.
[ Hall J ]
In this paper, we consider the problem of domain generalization in semantic segmentation, which aims to learn a robust model using only labeled synthetic (source) data. The model is expected to perform well on unseen real (target) domains. Our study finds that the image style variation can largely influence the model's performance and the style features can be well represented by the channel-wise mean and standard deviation of images. Inspired by this, we propose a novel adversarial style augmentation (AdvStyle) approach, which can dynamically generate hard stylized images during training and thus can effectively prevent the model from overfitting on the source domain. Specifically, AdvStyle regards the style feature as a learnable parameter and updates it by adversarial training. The learned adversarial style feature is used to construct an adversarial image for robust model training. AdvStyle is easy to implement and can be readily applied to different models. Experiments on two synthetic-to-real semantic segmentation benchmarks demonstrate that AdvStyle can significantly improve the model performance on unseen real domains and show that we can achieve the state of the art. Moreover, AdvStyle can be employed to domain generalized image classification and produces a clear improvement on the considered datasets.
[ Hall J ]

Federated learning is a learning paradigm to enable collaborative learning across different parties without revealing raw data. Notably, vertical federated learning (VFL), where parties share the same set of samples but only hold partial features, has a wide range of real-world applications. However, most existing studies in VFL disregard the "record linkage'' process. They design algorithms either assuming the data from different parties can be exactly linked or simply linking each record with its most similar neighboring record. These approaches may fail to capture the key features from other less similar records. Moreover, such improper linkage cannot be corrected by training since existing approaches provide no feedback on linkage during training. In this paper, we design a novel coupled training paradigm, FedSim, that integrates one-to-many linkage into the training process. Besides enabling VFL in many real-world applications with fuzzy identifiers, FedSim also achieves better performance in traditional VFL tasks. Moreover, we theoretically analyze the additional privacy risk incurred by sharing similarities. Our experiments on eight datasets with various similarity metrics show that FedSim outperforms other state-of-the-art baselines. The codes of FedSim are available at https://github.com/Xtra-Computing/FedSim.
[ Hall J ]

Quantization compresses models to low bits for efficient inferences which has received increasing attentions. However, existing approaches focused on balanced datasets, while imbalanced data is pervasive in the real world. Therefore, in this study, we investigate the realistic problem, quantization on class-imbalanced data. We observe from the analytical results that quantizing imbalanced data tends to obtain a large error due to the differences between separate class distributions, which leads to a significant accuracy loss. To address this issue, we propose a novel quantization framework, Class Imbalanced Quantization (ClimbQ) that focuses on diminishing the inter-class heterogeneity for quantization error reduction. ClimbQ first scales the variance of each class distribution and then projects data through the new distributions to the same space for quantization. To guarantee the homogeneity of class variances after the ClimbQ process, we examine the quantized features and derive that the homogeneity satisfies when data size for each class is restricted (bounded). Accordingly, we design a Homogeneous Variance Loss (HomoVar Loss) which reweights the data losses of each class based on the bounded data sizes to satisfy the homogeneity of class variances. Extensive experiments on class-imbalanced and benchmark balanced datasets reveal that ClimbQ outperforms the state-of-the-art quantization techniques, especially …
[ Hall J ]
Social media has become the fulcrum of all forms of communication. Classifying social texts such as fake news, rumour, sarcasm, etc. has gained significant attention. The surface-level signals expressed by a social-text itself may not be adequate for such tasks; therefore, recent methods attempted to incorporate other intrinsic signals such as user behavior and the underlying graph structure. Oftentimes, the public wisdom expressed through the comments/replies to a social-text acts as a surrogate of crowd-sourced view and may provide us with complementary signals. State-of-the-art methods on social-text classification tend to ignore such a rich hierarchical signal. Here, we propose Hyphen, a discourse-aware hyperbolic spectral co-attention network. Hyphen is a fusion of hyperbolic graph representation learning with a novel Fourier co-attention mechanism in an attempt to generalise the social-text classification tasks by incorporating public discourse. We parse public discourse as an Abstract Meaning Representation (AMR) graph and use the powerful hyperbolic geometric representation to model graphs with hierarchical structure. Finally, we equip it with a novel Fourier co-attention mechanism to capture the correlation between the source post and public discourse. Extensive experiments on four different social-text classification tasks, namely detecting fake news, hate speech, rumour, and sarcasm, show that Hyphen generalises …
[ Hall J ]

Detecting out-of-distribution (OOD) objects is indispensable for safely deploying object detectors in the wild. Although distance-based OOD detection methods have demonstrated promise in image classification, they remain largely unexplored in object-level OOD detection. This paper bridges the gap by proposing a distance-based framework for detecting OOD objects, which relies on the model-agnostic representation space and provides strong generality across different neural architectures. Our proposed framework SIREN contributes two novel components: (1) a representation learning component that uses a trainable loss function to shape the representations into a mixture of von Mises-Fisher (vMF) distributions on the unit hypersphere, and (2) a test-time OOD detection score leveraging the learned vMF distributions in a parametric or non-parametric way. SIREN achieves competitive performance on both the recent detection transformers and CNN-based models, improving the AUROC by a large margin compared to the previous best method. Code is publicly available at https://github.com/deeplearning-wisc/siren.
[ Hall J ]
[ Hall J ]

One-shot Federated Learning (FL) has recently emerged as a promising approach, which allows the central server to learn a model in a single communication round. Despite the low communication cost, existing one-shot FL methods are mostly impractical or face inherent limitations, \eg a public dataset is required, clients' models are homogeneous, and additional data/model information need to be uploaded. To overcome these issues, we propose a novel two-stage \textbf{D}ata-fre\textbf{E} o\textbf{N}e-\textbf{S}hot federated l\textbf{E}arning (DENSE) framework, which trains the global model by a data generation stage and a model distillation stage. DENSE is a practical one-shot FL method that can be applied in reality due to the following advantages:(1) DENSE requires no additional information compared with other methods (except the model parameters) to be transferred between clients and the server;(2) DENSE does not require any auxiliary dataset for training;(3) DENSE considers model heterogeneity in FL, \ie different clients can have different model architectures.Experiments on a variety of real-world datasets demonstrate the superiority of our method.For example, DENSE outperforms the best baseline method Fed-ADI by 5.08\% on CIFAR10 dataset.
[ Hall J ]

Existing work in continual learning (CL) focuses on mitigating catastrophic forgetting, i.e., model performance deterioration on past tasks when learning a new task. However, the training efficiency of a CL system is under-investigated, which limits the real-world application of CL systems under resource-limited scenarios. In this work, we propose a novel framework called Sparse Continual Learning (SparCL), which is the first study that leverages sparsity to enable cost-effective continual learning on edge devices. SparCL achieves both training acceleration and accuracy preservation through the synergy of three aspects: weight sparsity, data efficiency, and gradient sparsity. Specifically, we propose task-aware dynamic masking (TDM) to learn a sparse network throughout the entire CL process, dynamic data removal (DDR) to remove less informative training data, and dynamic gradient masking (DGM) to sparsify the gradient updates. Each of them not only improves efficiency, but also further mitigates catastrophic forgetting. SparCL consistently improves the training efficiency of existing state-of-the-art (SOTA) CL methods by at most 23X less training FLOPs, and, surprisingly, further improves the SOTA accuracy by at most 1.7%. SparCL also outperforms competitive baselines obtained from adapting SOTA sparse training methods to the CL setting in both efficiency and accuracy. We also evaluate the effectiveness …
[ Hall J ]
Despite the enormous success of Graph Convolutional Networks (GCNs) in modeling graph-structured data, most of the current GCNs are shallow due to the notoriously challenging problems of over-smoothening and information squashing along with conventional difficulty caused by vanishing gradients and over-fitting. Previous works have been primarily focused on the study of over-smoothening and over-squashing phenomena in training deep GCNs. Surprisingly, in comparison with CNNs/RNNs, very limited attention has been given to understanding how healthy gradient flow can benefit the trainability of deep GCNs. In this paper, firstly, we provide a new perspective of gradient flow to understand the substandard performance of deep GCNs and hypothesize that by facilitating healthy gradient flow, we can significantly improve their trainability, as well as achieve state-of-the-art (SOTA) level performance from vanilla-GCNs. Next, we argue that blindly adopting the Glorot initialization for GCNs is not optimal, and derive a topology-aware isometric initialization scheme for vanilla-GCNs based on the principles of isometry. Additionally, contrary to ad-hoc addition of skip-connections, we propose to use gradient-guided dynamic rewiring of vanilla-GCNs with skip connections. Our dynamic rewiring method uses the gradient flow within each layer during training to introduce on-demand skip-connections adaptively. We provide extensive empirical evidence across multiple …
[ Hall J ]
The audio-visual video parsing task aims to parse a video into modality- and category-aware temporal segments. Previous work mainly focuses on weakly-supervised approaches, which learn from video-level event labels. During training, they do not know which modality perceives and meanwhile which temporal segment contains the video event. Since there is no explicit grouping in the existing frameworks, the modality and temporal uncertainties make these methods suffer from false predictions. For instance, segments in the same category could be predicted in different event classes. Learning compact and discriminative multi-modal subspaces is essential for mitigating the issue. To this end, in this paper, we propose a novel Multi-modal Grouping Network, namely MGN, for explicitly semantic-aware grouping. Specifically, MGN aggregates event-aware unimodal features through unimodal grouping in terms of learnable categorical embedding tokens. Furthermore, it leverages the cross-modal grouping for modality-aware prediction to match the video-level target. Our simple framework achieves improving results against previous baselines on weakly-supervised audio-visual video parsing. In addition, our MGN is much more lightweight, using only 47.2% of the parameters of baselines (17 MB vs. 36 MB). Code is available at https://github.com/stoneMo/MGN.
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Spatio-Temporal feature matching and alignment are essential for few-shot action recognition as they determine the coherence and effectiveness of the temporal patterns. Nevertheless, this process could be not reliable, especially when dealing with complex video scenarios. In this paper, we propose to improve the performance of matching and alignment from the end-to-end design of models. Our solution comes at two-folds. First, we encourage to enhance the extracted Spatio-Temporal representations from few-shot videos in the perspective of architectures. With this aim, we propose a specialized transformer search method for videos, thus the spatial and temporal attention can be well-organized and optimized for stronger feature representations. Second, we also design an efficient non-parametric spatio-temporal prototype alignment strategy to better handle the high variability of motion. In particular, a query-specific class prototype will be generated for each query sample and category, which can better match query sequences against all support sequences. By doing so, our method SST enjoys significant superiority over the benchmark UCF101 and HMDB51 datasets. For example, with no pretraining, our method achieves 17.1\% Top-1 accuracy improvement than the baseline TRX on UCF101 5-way 1-shot setting but with only 3x fewer FLOPs.
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Deep networks on 3D point clouds have achieved remarkable success in 3D classification, while they are vulnerable to geometry variations caused by inconsistent data acquisition procedures. This results in a challenging 3D domain generalization (3DDG) problem, that is to generalize a model trained on source domain to an unseen target domain. Based on the observation that local geometric structures are more generalizable than the whole shape, we propose to reduce the geometry shift by a generalizable part-based feature representation and design a novel part-based domain generalization network (PDG) for 3D point cloud classification. Specifically, we build a part-template feature space shared by source and target domains. Shapes from distinct domains are first organized to part-level features and then represented by part-template features. The transformed part-level features, dubbed aligned part-based representations, are then aggregated by a part-based feature aggregation module. To improve the robustness of the part-based representations, we further propose a contrastive learning framework upon part-based shape representation. Experiments and ablation studies on 3DDA and 3DDG benchmarks justify the efficacy of the proposed approach for domain generalization, compared with the previous state-of-the-art methods. Our code will be available on http://github.com/weixmath/PDG.
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Implicit neural 3D representation has achieved impressive results in surface or scene reconstruction and novel view synthesis, which typically uses the coordinate-based multi-layer perceptrons (MLPs) to learn a continuous scene representation. However, existing approaches, such as Neural Radiance Field (NeRF) and its variants, usually require dense input views (i.e. 50-150) to obtain decent results. To relive the over-dependence on massive calibrated images and enrich the coordinate-based feature representation, we explore injecting the prior information into the coordinate-based network and introduce a novel coordinate-based model, CoCo-INR, for implicit neural 3D representation. The cores of our method are two attention modules: codebook attention and coordinate attention. The former extracts the useful prototypes containing rich geometry and appearance information from the prior codebook, and the latter propagates such prior information into each coordinate and enriches its feature representation for a scene or object surface. With the help of the prior information, our method can render 3D views with more photo-realistic appearance and geometries than the current methods using fewer calibrated images available. Experiments on various scene reconstruction datasets, including DTU and BlendedMVS, and the full 3D head reconstruction dataset, H3DS, demonstrate the robustness under fewer input views and fine detail-preserving capability of our …
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Meta-learning approaches enable machine learning systems to adapt to new tasks given few examples by leveraging knowledge from related tasks. However, a large number of meta-training tasks are still required for generalization to unseen tasks during meta-testing, which introduces a critical bottleneck for real-world problems that come with only few tasks, due to various reasons including the difficulty and cost of constructing tasks. Recently, several task augmentation methods have been proposed to tackle this issue using domain-specific knowledge to design augmentation techniques to densify the meta-training task distribution. However, such reliance on domain-specific knowledge renders these methods inapplicable to other domains. While Manifold Mixup based task augmentation methods are domain-agnostic, we empirically find them ineffective on non-image domains. To tackle these limitations, we propose a novel domain-agnostic task augmentation method, Meta-Interpolation, which utilizes expressive neural set functions to densify the meta-training task distribution using bilevel optimization. We empirically validate the efficacy of Meta-Interpolation on eight datasets spanning across various domains such as image classification, molecule property prediction, text classification and speech recognition. Experimentally, we show that Meta-Interpolation consistently outperforms all the relevant baselines. Theoretically, we prove that task interpolation with the set function regularizes the meta-learner to improve generalization. We …
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Video question answering (VideoQA) is a complex task that requires diverse multi-modal data for training. Manual annotation of question and answers for videos, however, is tedious and prohibits scalability. To tackle this problem, recent methods consider zero-shot settings with no manual annotation of visual question-answer. In particular, a promising approach adapts frozen autoregressive language models pretrained on Web-scale text-only data to multi-modal inputs. In contrast, we here build on frozen bidirectional language models (BiLM) and show that such an approach provides a stronger and cheaper alternative for zero-shot VideoQA. In particular, (i) we combine visual inputs with the frozen BiLM using light trainable modules, (ii) we train such modules using Web-scraped multi-modal data, and finally (iii) we perform zero-shot VideoQA inference through masked language modeling, where the masked text is the answer to a given question. Our proposed approach, FrozenBiLM, outperforms the state of the art in zero-shot VideoQA by a significant margin on a variety of datasets, including LSMDC-FiB, iVQA, MSRVTT-QA, MSVD-QA, ActivityNet-QA, TGIF-FrameQA, How2QA and TVQA. It also demonstrates competitive performance in the few-shot and fully-supervised setting. Our code and models are publicly available at https://github.com/antoyang/FrozenBiLM.
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This paper studies a conceptually simple extension of Masked Autoencoders (MAE) to spatiotemporal representation learning from videos. We randomly mask out spacetime patches in videos and learn an autoencoder to reconstruct them in pixels. Interestingly, we show that our MAE method can learn strong representations with almost no inductive bias on spacetime (only except for patch and positional embeddings), and spacetime-agnostic random masking performs the best. We observe that the optimal masking ratio is as high as 90% (vs. 75% on images), supporting the hypothesis that this ratio is related to information redundancy of the data. A high masking ratio leads to a large speedup, e.g., > 4x in wall-clock time or even more. We report competitive results on several challenging video datasets using vanilla Vision Transformers. We observe that MAE can outperform supervised pre-training by large margins. We further report encouraging results of training on real-world, uncurated Instagram data. Our study suggests that the general framework of masked autoencoding (BERT, MAE, etc.) can be a unified methodology for representation learning with minimal domain knowledge.
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Recent studies show that graph convolutional network (GCN) often performs worse for low-degree nodes, exhibiting the so-called structural unfairness for graphs with long-tailed degree distributions prevalent in the real world. Graph contrastive learning (GCL), which marries the power of GCN and contrastive learning, has emerged as a promising self-supervised approach for learning node representations. How does GCL behave in terms of structural fairness? Surprisingly, we find that representations obtained by GCL methods are already fairer to degree bias than those learned by GCN. We theoretically show that this fairness stems from intra-community concentration and inter-community scatter properties of GCL, resulting in a much clear community structure to drive low-degree nodes away from the community boundary. Based on our theoretical analysis, we further devise a novel graph augmentation method, called GRAph contrastive learning for DEgree bias (GRADE), which applies different strategies to low- and high-degree nodes. Extensive experiments on various benchmarks and evaluation protocols validate the effectiveness of the proposed method.
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Given an unsupervised novelty detection task on a new dataset, how can we automatically select a ''best'' detection model while simultaneously controlling the error rate of the best model? For novelty detection analysis, numerous detectors have been proposed to detect outliers on a new unseen dataset based on a score function trained on available clean data. However, due to the absence of labeled data for model evaluation and comparison, there is a lack of systematic approaches that are able to select a ''best'' model/detector (i.e., the algorithm as well as its hyperparameters) and achieve certain error rate control simultaneously. In this paper, we introduce a unified data-driven procedure to address this issue. The key idea is to maximize the number of detected outliers while controlling the false discovery rate (FDR) with the help of Jackknife prediction. We establish non-asymptotic bounds for the false discovery proportions and show that the proposed procedure yields valid FDR control under some mild conditions. Numerical experiments on both synthetic and real data validate the theoretical results and demonstrate the effectiveness of our proposed AutoMS method. The code is available at https://github.com/ZhangYifan1996/AutoMS.
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Improving the generalization of deep networks is an important open challenge, particularly in domains without plentiful data. The mixup algorithm improves generalization by linearly interpolating a pair of examples and their corresponding labels. These interpolated examples augment the original training set. Mixup has shown promising results in various classification tasks, but systematic analysis of mixup in regression remains underexplored. Using mixup directly on regression labels can result in arbitrarily incorrect labels. In this paper, we propose a simple yet powerful algorithm, C-Mixup, to improve generalization on regression tasks. In contrast with vanilla mixup, which picks training examples for mixing with uniform probability, C-Mixup adjusts the sampling probability based on the similarity of the labels. Our theoretical analysis confirms that C-Mixup with label similarity obtains a smaller mean square error in supervised regression and meta-regression than vanilla mixup and using feature similarity. Another benefit of C-Mixup is that it can improve out-of-distribution robustness, where the test distribution is different from the training distribution. By selectively interpolating examples with similar labels, it mitigates the effects of domain-associated information and yields domain-invariant representations. We evaluate C-Mixup on eleven datasets, ranging from tabular to video data. Compared to the best prior approach, C-Mixup achieves …
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Paraphrase Identification is a fundamental task in Natural Language Processing. While much progress has been made in the field, the performance of many state-of- the-art models often suffer from distribution shift during inference time. We verify that a major source of this performance drop comes from biases introduced by negative examples. To overcome these biases, we propose in this paper to train two separate models, one that only utilizes the positive pairs and the other the negative pairs. This enables us the option of deciding how much to utilize the negative model, for which we introduce a perplexity based out-of-distribution metric that we show can effectively and automatically determine how much weight it should be given during inference. We support our findings with strong empirical results.
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Pre-trained language models (LMs) are shown to easily generate toxic language. In this work, we systematically explore domain-adaptive training to reduce the toxicity of language models. We conduct this study on three dimensions: training corpus, model size, and parameter efficiency. For the training corpus, we demonstrate that using self-generated datasets consistently outperforms the existing baselines across various model sizes on both automatic and human evaluations, even when it uses a 3 1 smaller training corpus. We then comprehensively study detoxifying LMs with parameter sizes ranging from 126M up to 530B (3× larger than GPT3), a scale that has never been studied before. We find that i) large LMs have similar toxicity levels as smaller ones given the same pre-training corpus, and ii) large LMs require more endeavor to unlearn the toxic content seen at pretraining. We also explore parameter-efficient training methods for detoxification. We demonstrate that adding and training adapter-only layers in LMs not only saves a lot of parameters but also achieves a better trade-off between toxicity and perplexity than whole model adaptation for large-scale models. Our code will be available at: https://github.com/NVIDIA/Megatron-LM/.
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The majority of methods for crafting adversarial attacks have focused on scenes with a single dominant object (e.g., images from ImageNet). On the other hand, natural scenes include multiple dominant objects that are semantically related. Thus, it is crucial to explore designing attack strategies that look beyond learning on single-object scenes or attack single-object victim classifiers. Due to their inherent property of strong transferability of perturbations to unknown models, this paper presents the first approach of using generative models for adversarial attacks on multi-object scenes. In order to represent the relationships between different objects in the input scene, we leverage upon the open-sourced pre-trained vision-language model CLIP (Contrastive Language-Image Pre-training), with the motivation to exploit the encoded semantics in the language space along with the visual space. We call this attack approach Generative Adversarial Multi-object Attacks (GAMA). GAMA demonstrates the utility of the CLIP model as an attacker's tool to train formidable perturbation generators for multi-object scenes. Using the joint image-text features to train the generator, we show that GAMA can craft potent transferable perturbations in order to fool victim classifiers in various attack settings. For example, GAMA triggers ~16% more misclassification than state-of-the-art generative approaches in black-box settings where …
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In many real world problems, features do not act alone but in combination with each other. For example, in genomics, diseases might not be caused by any single mutation but require the presence of multiple mutations. Prior work on feature selection either seeks to identify individual features or can only determine relevant groups from a predefined set. We investigate the problem of discovering groups of predictive features without predefined grouping. To do so, we define predictive groups in terms of linear and non-linear interactions between features. We introduce a novel deep learning architecture that uses an ensemble of feature selection models to find predictive groups, without requiring candidate groups to be provided. The selected groups are sparse and exhibit minimum overlap. Furthermore, we propose a new metric to measure similarity between discovered groups and the ground truth. We demonstrate the utility our model on multiple synthetic tasks and semi-synthetic chemistry datasets, where the ground truth structure is known, as well as an image dataset and a real-world cancer dataset.
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Self-Supervised Learning (SSL) surmises that inputs and pairwise positive relationships are enough to learn meaningful representations. Although SSL has recently reached a milestone: outperforming supervised methods in many modalities\dots the theoretical foundations are limited, method-specific, and fail to provide principled design guidelines to practitioners. In this paper, we propose a unifying framework under the helm of spectral manifold learning. Through the course of this study, we will demonstrate that VICReg, SimCLR, BarlowTwins et al. correspond to eponymous spectral methods such as Laplacian Eigenmaps, ISOMAP et al.From this unified viewpoint, we obtain (i) the close-form optimal representation, (ii) the close-form optimal network parameters in the linear regime, (iii) the impact of the pairwise relations used during training on each of those quantities and on downstream task performances, and most importantly, (iv) the first theoretical bridge between contrastive and non-contrastive methods to global and local spectral methods respectively hinting at the benefits and limitations of each. For example, if the pairwise relation is aligned with the downstream task, all SSL methods produce optimal representations for that downstream task.
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Tremendous progress has been made in reinforcement learning (RL) over the past decade. Most of these advancements came through the continual development of new algorithms, which were designed using a combination of mathematical derivations, intuitions, and experimentation. Such an approach of creating algorithms manually is limited by human understanding and ingenuity. In contrast, meta-learning provides a toolkit for automatic machine learning method optimisation, potentially addressing this flaw. However, black-box approaches which attempt to discover RL algorithms with minimal prior structure have thus far not outperformed existing hand-crafted algorithms. Mirror Learning, which includes RL algorithms, such as PPO, offers a potential middle-ground starting point: while every method in this framework comes with theoretical guarantees, components that differentiate them are subject to design. In this paper we explore the Mirror Learning space by meta-learning a “drift” function. We refer to the immediate result as Learnt Policy Optimisation (LPO). By analysing LPO we gain original insights into policy optimisation which we use to formulate a novel, closed-form RL algorithm, Discovered Policy Optimisation (DPO). Our experiments in Brax environments confirm state-of-the-art performance of LPO and DPO, as well as their transfer to unseen settings.
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From learning to play the piano to speaking a new language, reusing and recombining previously acquired representations enables us to master complex skills and easily adapt to new environments. Inspired by the Gestalt principle of \textit{grouping by proximity} and theories of chunking in cognitive science, we propose a hierarchical chunking model (HCM). HCM learns representations from non-i.i.d. sequential data from the ground up by first discovering the minimal atomic sequential units as chunks. As learning progresses, a hierarchy of chunk representations is acquired by chunking previously learned representations into more complex representations guided by sequential dependence. We provide learning guarantees on an idealized version of HCM, and demonstrate that HCM learns meaningful and interpretable representations in a human-like fashion. Our model can be extended to learn visual, temporal, and visual-temporal chunks. The interpretability of the learned chunks can be used to assess transfer or interference when the environment changes. Finally, in an fMRI dataset, we demonstrate that HCM learns interpretable chunks of functional coactivation regions and hierarchical modular and sub-modular structures confirmed by the neuroscientific literature. Taken together, our results show how cognitive science in general and theories of chunking in particular can inform novel and more interpretable approaches to …
[ Hall J ]

Cryo-electron microscopy (cryo-EM) is an imaging modality that provides unique insights into the dynamics of proteins and other building blocks of life. The algorithmic challenge of jointly estimating the poses, 3D structure, and conformational heterogeneity of a biomolecule from millions of noisy and randomly oriented 2D projections in a computationally efficient manner, however, remains unsolved. Our method, cryoFIRE, performs ab initio heterogeneous reconstruction with unknown poses in an amortized framework, thereby avoiding the computationally expensive step of pose search while enabling the analysis of conformational heterogeneity. Poses and conformation are jointly estimated by an encoder while a physics-based decoder aggregates the images into an implicit neural representation of the conformational space. We show that our method can provide one order of magnitude speedup on datasets containing millions of images, without any loss of accuracy. We validate that the joint estimation of poses and conformations can be amortized over the size of the dataset. For the first time, we prove that an amortized method can extract interpretable dynamic information from experimental datasets.
[ Hall J ]

Topological features based on persistent homology capture high-order structural information so as to augment graph neural network methods. However, computing extended persistent homology summaries remains slow for large and dense graphs and can be a serious bottleneck for the learning pipeline. Inspired by recent success in neural algorithmic reasoning, we propose a novel graph neural network to estimate extended persistence diagrams (EPDs) on graphs efficiently. Our model is built on algorithmic insights, and benefits from better supervision and closer alignment with the EPD computation algorithm. We validate our method with convincing empirical results on approximating EPDs and downstream graph representation learning tasks. Our method is also efficient; on large and dense graphs, we accelerate the computation by nearly 100 times.
[ Hall J ]

The goal of sequential event prediction is to estimate the next event based on a sequence of historical events, with applications to sequential recommendation, user behavior analysis and clinical treatment. In practice, the next-event prediction models are trained with sequential data collected at one time and need to generalize to newly arrived sequences in remote future, which requires models to handle temporal distribution shift from training to testing. In this paper, we first take a data-generating perspective to reveal a negative result that existing approaches with maximum likelihood estimation would fail for distribution shift due to the latent context confounder, i.e., the common cause for the historical events and the next event. Then we devise a new learning objective based on backdoor adjustment and further harness variational inference to make it tractable for sequence learning problems. On top of that, we propose a framework with hierarchical branching structures for learning context-specific representations. Comprehensive experiments on diverse tasks (e.g., sequential recommendation) demonstrate the effectiveness, applicability and scalability of our method with various off-the-shelf models as backbones.
[ Hall J ]

Variational autoencoders (VAEs) are one of the most powerful unsupervised learning frameworks in NLP for latent representation learning and latent-directed generation. The classic optimization goal of VAEs is to maximize the Evidence Lower Bound (ELBo), which consists of a conditional likelihood for generation and a negative Kullback-Leibler (KL) divergence for regularization. In practice, optimizing ELBo often leads the posterior distribution of all samples converging to the same degenerated local optimum, namely posterior collapse or KL vanishing. There are effective ways proposed to prevent posterior collapse in VAEs, but we observe that they in essence make trade-offs between posterior collapse and the hole problem, i.e., the mismatch between the aggregated posterior distribution and the prior distribution. To this end, we introduce new training objectives to tackle both problems through a novel regularization based on the probabilistic density gap between the aggregated posterior distribution and the prior distribution. Through experiments on language modeling, latent space visualization, and interpolation, we show that our proposed method can solve both problems effectively and thus outperforms the existing methods in latent-directed generation. To the best of our knowledge, we are the first to jointly solve the hole problem and posterior collapse.
[ Hall J ]
Decision-focused learning (DFL) was recently proposed for stochastic optimization problems that involve unknown parameters. By integrating predictive modeling with an implicitly differentiable optimization layer, DFL has shown superior performance to the standard two-stage predict-then-optimize pipeline. However, most existing DFL methods are only applicable to convex problems or a subset of nonconvex problems that can be easily relaxed to convex ones. Further, they can be inefficient in training due to the requirement of solving and differentiating through the optimization problem in every training iteration. We propose SO-EBM, a general and efficient DFL method for stochastic optimization using energy-based models. Instead of relying on KKT conditions to induce an implicit optimization layer, SO-EBM explicitly parameterizes the original optimization problem using a differentiable optimization layer based on energy functions. To better approximate the optimization landscape, we propose a coupled training objective that uses a maximum likelihood loss to capture the optimum location and a distribution-based regularizer to capture the overall energy landscape. Finally, we propose an efficient training procedure for SO-EBM with a self-normalized importance sampler based on a Gaussian mixture proposal. We evaluate SO-EBM in three applications: power scheduling, COVID-19 resource allocation, and non-convex adversarial security game, demonstrating the effectiveness and efficiency …
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[ Hall J ]

The ever-increasing computational complexity of deep learning models makes their training and deployment difficult on various cloud and edge platforms. Replacing floating-point arithmetic with low-bit integer arithmetic is a promising approach to save energy, memory footprint, and latency of deep learning models. As such, quantization has attracted the attention of researchers in recent years. However, using integer numbers to form a fully functional integer training pipeline including forward pass, back-propagation, and stochastic gradient descent is not studied in detail. Our empirical and mathematical results reveal that integer arithmetic seems to be enough to train deep learning models. Unlike recent proposals, instead of quantization, we directly switch the number representation of computations. Our novel training method forms a fully integer training pipeline that does not change the trajectory of the loss and accuracy compared to floating-point, nor does it need any special hyper-parameter tuning, distribution adjustment, or gradient clipping. Our experimental results show that our proposed method is effective in a wide variety of tasks such as classification (including vision transformers), object detection, and semantic segmentation.
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Dense Interspecies Face Embedding (DIFE) is a new direction for understanding faces of various animals by extracting common features among animal faces including human face. There are three main obstacles for interspecies face understanding: (1) lack of animal data compared to human, (2) ambiguous connection between faces of various animals, and (3) extreme shape and style variance. To cope with the lack of data, we utilize multi-teacher knowledge distillation of CSE and StyleGAN2 requiring no additional data or label. Then we synthesize pseudo pair images through the latent space exploration of StyleGAN2 to find implicit associations between different animal faces. Finally, we introduce the semantic matching loss to overcome the problem of extreme shape differences between species. To quantitatively evaluate our method over possible previous methodologies like unsupervised keypoint detection, we perform interspecies facial keypoint transfer on MAFL and AP-10K. Furthermore, the results of other applications like interspecies face image manipulation and dense keypoint transfer are provided. The code is available at https://github.com/kingsj0405/dife.
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We propose a self-supervised algorithm to learn representations from egocentric video data. Recently, significant efforts have been made to capture humans interacting with their own environments as they go about their daily activities. In result, several large egocentric datasets of interaction-rich multi-modal data have emerged. However, learning representations from videos can be challenging. First, given the uncurated nature of long-form continuous videos, learning effective representations require focusing on moments in time when interactions take place. Second, visual representations of daily activities should be sensitive to changes in the state of the environment. However, current successful multi-modal learning frameworks encourage representation invariance over time. To address these challenges, we leverage audio signals to identify moments of likely interactions which are conducive to better learning. We also propose a novel self-supervised objective that learns from audible state changes caused by interactions. We validate these contributions extensively on two large-scale egocentric datasets, EPIC-Kitchens-100 and the recently released Ego4D, and show improvements on several downstream tasks, including action recognition, long-term action anticipation, and object state change classification.
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We introduce a novel paradigm for offline Video Instance Segmentation (VIS), based on the hypothesis that explicit object-oriented information can be a strong clue for understanding the context of the entire sequence. To this end, we propose VITA, a simple structure built on top of an off-the-shelf Transformer-based image instance segmentation model. Specifically, we use an image object detector as a means of distilling object-specific contexts into object tokens. VITA accomplishes video-level understanding by associating frame-level object tokens without using spatio-temporal backbone features. By effectively building relationships between objects using the condensed information, VITA achieves the state-of-the-art on VIS benchmarks with a ResNet-50 backbone: 49.8 AP, 45.7 AP on YouTube-VIS 2019 & 2021, and 19.6 AP on OVIS. Moreover, thanks to its object token-based structure that is disjoint from the backbone features, VITA shows several practical advantages that previous offline VIS methods have not explored - handling long and high-resolution videos with a common GPU, and freezing a frame-level detector trained on image domain. Code is available at the link.
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Inspired by their powerful representation ability on graph-structured data, Graph Convolution Networks (GCNs) have been widely applied to recommender systems, and have shown superior performance. Despite their empirical success, there is a lack of theoretical explorations such as generalization properties. In this paper, we take a first step towards establishing a generalization guarantee for GCN-based recommendation models under inductive and transductive learning. We mainly investigate the roles of graph normalization and non-linear activation, providing some theoretical understanding, and construct extensive experiments to further verify these findings empirically. Furthermore, based on the proven generalization bound and the challenge of existing models in discrete data learning, we propose Item Mixture (IMix) to enhance recommendation. It models discrete spaces in a continuous manner by mixing the embeddings of positive-negative item pairs, and its effectiveness can be strictly guaranteed from empirical and theoretical aspects.
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This paper presents a multi-granularity method for source code summarization, which generates a concise functional description for the given code snippet. We notice that skilled programmers write and read source codes hierarchically and pay close attention to conceptual entities like statements, tokens, sub-tokens, and the mapping relations between them. The entities have specific emphasis according to their granularities, e.g., statements in coarse-granularity reveal the global logical semantics of code, and the sub-tokens in fine-granularity are more related to the textual semantics. Driven by this observation, we demonstrate that a multi-granularity formulation incorporating these conceptual entities benefit the code summarization task. Concretely, the source code is transformed into a pyramidal representation, and then a pyramid attention mechanism is applied for efficient feature aggregation among different hierarchies in it. We instantiate our multi-granularity method using the proposed pyramid attention and name it PA-former (Pyramid Attention transformer). We evaluated it on two source code summarization benchmarks where it surpasses the prior works and achieves new state-of-the-art results. Our code and data are available at https://github.com/leichainju/pa-former.
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Negative-free contrastive learning methods have attracted a lot of attention with simplicity and impressive performances for large-scale pretraining. However, its disentanglement property remains unexplored. In this paper, we examine negative-free contrastive learning methods to study the disentanglement property empirically. We find that existing disentanglement metrics fail to make meaningful measurements for high-dimensional representation models, so we propose a new disentanglement metric based on Mutual Information between latent representations and data factors. With this proposed metric, we benchmark the disentanglement property of negative-free contrastive learning on both popular synthetic datasets and a real-world dataset CelebA. Our study shows that the investigated methods can learn a well-disentangled subset of representation. As far as we know, we are the first to extend the study of disentangled representation learning to high-dimensional representation space and introduce negative-free contrastive learning methods into this area. The source code of this paper is available at https://github.com/noahcao/disentanglementlibmed.
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Recommender retrievers aim to rapidly retrieve a fraction of items from the entire item corpus when a user query requests, with the representative two-tower model trained with the log softmax loss. For efficiently training recommender retrievers on modern hardwares, inbatch sampling, where the items in the mini-batch are shared as negatives to estimate the softmax function, has attained growing interest. However, existing inbatch sampling based strategies just correct the sampling bias of inbatch items with item frequency, being unable to distinguish the user queries within the mini-batch and still incurring significant bias from the softmax. In this paper, we propose a Cache-Augmented Inbatch Importance Resampling (XIR) for training recommender retrievers, which not only offers different negatives to user queries with inbatch items, but also adaptively achieves a more accurate estimation of the softmax distribution. Specifically, XIR resamples items from the given mini-batch training pairs based on certain probabilities, where a cache with more frequently sampled items is adopted to augment the candidate item set, with the purpose of reusing the historical informative samples. XIR enables to sample query-dependent negatives based on inbatch items and to capture dynamic changes of model training, which leads to a better approximation of the softmax …
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Although autoregressive models have achieved promising results on image generation, their unidirectional generation process prevents the resultant images from fully reflecting global contexts. To address the issue, we propose an effective image generation framework of \emph{Draft-and-Revise} with \emph{Contextual RQ-transformer} to consider global contexts during the generation process. As a generalized VQ-VAE, RQ-VAE first represents a high-resolution image as a sequence of discrete code stacks. After code stacks in the sequence are randomly masked, Contextual RQ-Transformer is trained to infill the masked code stacks based on the unmasked contexts of the image. Then, we propose the two-phase decoding, Draft-and-Revise, for Contextual RQ-Transformer to generates an image, while fully exploiting the global contexts of the image during the generation process. Specifically. in the \emph{draft} phase, our model first focuses on generating diverse images despite rather low quality. Then, in the \emph{revise} phase, the model iteratively improves the quality of images, while preserving the global contexts of generated images. In experiments, our method achieves state-of-the-art results on conditional image generation. We also validate that the Draft-and-Revise decoding can achieve high performance by effectively controlling the quality-diversity trade-off in image generation.
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Recently, a new trend of exploring training sparsity has emerged, which remove parameters during training, leading to both training and inference efficiency improvement. This line of works primarily aims to obtain a single sparse model under a pre-defined large sparsity ratio. It leads to a static/fixed sparse inference model that is not capable of adjusting or re-configuring its computation complexity (i.e., inference structure, latency) after training for real-world varying and dynamic hardware resource availability. To enable such run-time or post-training network morphing, the concept of dynamic inference' or
training-once-for-all' has been proposed to train a single network consisting of multiple sub-nets once, but each sub-net could perform the same inference function with different computing complexity. However, the traditional dynamic inference training method requires a joint training scheme with multi-objective optimization, which suffers from very large training overhead. In this work, for the first time, we propose a novel alternating sparse training (AST) scheme to train multiple sparse sub-nets for dynamic inference without extra training cost compared to the case of training a single sparse model from scratch. Furthermore, to mitigate the interference of weight update among sub-nets, we propose gradient correction within the inner-group iterations to reduce their weight update …
[ Hall J ]

Uncertainty estimation is essential to make neural networks trustworthy in real-world applications. Extensive research efforts have been made to quantify and reduce predictive uncertainty. However, most existing works are designed for unimodal data, whereas multi-view uncertainty estimation has not been sufficiently investigated. Therefore, we propose a new multi-view classification framework for better uncertainty estimation and out-of-domain sample detection, where we associate each view with an uncertainty-aware classifier and combine the predictions of all the views in a principled way. The experimental results with real-world datasets demonstrate that our proposed approach is an accurate, reliable, and well-calibrated classifier, which predominantly outperforms the multi-view baselines tested in terms of expected calibration error, robustness to noise, and accuracy for the in-domain sample classification and the out-of-domain sample detection tasks
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Learning adversarially robust models require invariant predictions to a small neighborhood of its natural inputs, often encountering insufficient model capacity. There is research showing that learning multiple sub-models in an ensemble could mitigate this insufficiency, further improving the generalization and the robustness. However, the ensemble's voting-based strategy excludes the possibility that the true predictions remain with the minority. Therefore, this paper further improves the ensemble through a collaboration scheme---Synergy-of-Experts (SoE). Compared with the voting-based strategy, the SoE enables the possibility of correct predictions even if there exists a single correct sub-model. In SoE, every sub-model fits its specific vulnerability area and reserves the rest of the sub-models to fit other vulnerability areas, which effectively optimizes the utilization of the model capacity. Empirical experiments verify that SoE outperforms various ensemble methods against white-box and transfer-based adversarial attacks.
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Training deep neural network classifiers that are certifiably robust against adversarial attacks is critical to ensuring the security and reliability of AI-controlled systems. Although numerous state-of-the-art certified training methods have been developed, they are computationally expensive and scale poorly with respect to both dataset and network complexity. Widespread usage of certified training is further hindered by the fact that periodic retraining is necessary to incorporate new data and network improvements. In this paper, we propose Certified Robustness Transfer (CRT), a general-purpose framework for reducing the computational overhead of any certifiably robust training method through knowledge transfer. Given a robust teacher, our framework uses a novel training loss to transfer the teacher’s robustness to the student. We provide theoretical and empirical validation of CRT. Our experiments on CIFAR-10 show that CRT speeds up certified robustness training by 8× on average across three different architecture generations while achieving comparable robustness to state-of-the-art methods. We also show that CRT can scale to large-scale datasets like ImageNet.
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Pre-training on time series poses a unique challenge due to the potential mismatch between pre-training and target domains, such as shifts in temporal dynamics, fast-evolving trends, and long-range and short-cyclic effects, which can lead to poor downstream performance. While domain adaptation methods can mitigate these shifts, most methods need examples directly from the target domain, making them suboptimal for pre-training. To address this challenge, methods need to accommodate target domains with different temporal dynamics and be capable of doing so without seeing any target examples during pre-training. Relative to other modalities, in time series, we expect that time-based and frequency-based representations of the same example are located close together in the time-frequency space. To this end, we posit that time-frequency consistency (TF-C) --- embedding a time-based neighborhood of an example close to its frequency-based neighborhood --- is desirable for pre-training. Motivated by TF-C, we define a decomposable pre-training model, where the self-supervised signal is provided by the distance between time and frequency components, each individually trained by contrastive estimation. We evaluate the new method on eight datasets, including electrodiagnostic testing, human activity recognition, mechanical fault detection, and physical status monitoring. Experiments against eight state-of-the-art methods show that TF-C outperforms baselines …
[ Hall J ]
Amodal perception requires inferring the full shape of an object that is partially occluded. This task is particularly challenging on two levels: (1) it requires more information than what is contained in the instant retina or imaging sensor, (2) it is difficult to obtain enough well-annotated amodal labels for supervision. To this end, this paper develops a new framework of Self-supervised amodal Video object segmentation (SaVos). Our method efficiently leverages the visual information of video temporal sequences to infer the amodal mask of objects. The key intuition is that the occluded part of an object can be explained away if that part is visible in other frames, possibly deformed as long as the deformation can be reasonably learned. Accordingly, we derive a novel self-supervised learning paradigm that efficiently utilizes the visible object parts as the supervision to guide the training on videos. In addition to learning type prior to complete masks for known types, SaVos also learns the spatiotemporal prior, which is also useful for the amodal task and could generalize to unseen types. The proposed framework achieves the state-of-the-art performance on the synthetic amodal segmentation benchmark FISHBOWL and the real world benchmark KINS-Video-Car. Further, it lends itself well to …
[ Hall J ]

Although image restoration has achieved significant progress, its potential to assist object detectors in adverse imaging conditions lacks enough attention. It is reported that the existing image restoration methods cannot improve the object detector performance and sometimes even reduce the detection performance. To address the issue, we propose a targeted adversarial attack in the restoration procedure to boost object detection performance after restoration. Specifically, we present an ADAM-like adversarial attack to generate pseudo ground truth for restoration training. Resultant restored images are close to original sharp images, and at the same time, lead to better results of object detection. We conduct extensive experiments in image dehazing and low light enhancement and show the superiority of our method over conventional training and other domain adaptation and multi-task methods. The proposed pipeline can be applied to all restoration methods and detectors in both one- and two-stage.
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Shape programs encode shape structures by representing object parts as subroutines and constructing the overall shape by composing these subroutines. This usually involves the reuse of subroutines for repeatable parts, enabling the modeling of correlations among shape elements such as geometric similarity. However, existing learning-based shape programs suffer from limited representation capacity, because they use coarse geometry representations such as geometric primitives and low-resolution voxel grids. Further, their training requires manually annotated ground-truth programs, which are expensive to attain. We address these limitations by proposing Shape Programs with Repeatable Implicit Parts (ProGRIP). Using implicit functions to represent parts, ProGRIP greatly boosts the representation capacity of shape programs while preserving the higher-level structure of repetitions and symmetry. Meanwhile, we free ProGRIP from any inaccessible supervised training via devising a matching-based unsupervised training objective. Our empirical studies show that ProGRIP outperforms existing structured representations in both shape reconstruction fidelity and segmentation accuracy of semantic parts.
[ Hall J ]

Numerical reasoning over text is a challenging task of Artificial Intelligence (AI), requiring reading comprehension and numerical reasoning abilities. Previous approaches use numerical reasoning programs to represent the reasoning process. However, most works do not separate the generation of operators and operands, which are key components of a numerical reasoning program, thus limiting their ability to generate such programs for complicated tasks. In this paper, we introduce the numEricaL reASoning with adapTive symbolIc Compiler (ELASTIC) model, which is constituted of the RoBERTa as the Encoder and a Compiler with four modules: Reasoning Manager, Operator Generator, Operands Generator, and Memory Register. ELASTIC is robust when conducting complicated reasoning. Also, it is domain agnostic by supporting the expansion of diverse operators without caring about the number of operands it contains. Experiments show that ELASTIC achieves 68.96 and 65.21 of execution accuracy and program accuracy on the FinQA dataset and 83.00 program accuracy on the MathQA dataset, outperforming previous state-of-the-art models significantly.
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Not only have deep networks become standard in machine learning, they are increasingly of interest in neuroscience as models of cortical computation that capture relationships between structural and functional properties. In addition they are a useful target of theoretical research into the properties of network computation. Deep networks typically have a serial or approximately serial organization across layers, and this is often mirrored in models that purport to represent computation in mammalian brains. There are, however, multiple examples of parallel pathways in mammalian brains. In some cases, such as the mouse, the entire visual system appears arranged in a largely parallel, rather than serial fashion. While these pathways may be formed by differing cost functions that drive different computations, here we present a new mathematical analysis of learning dynamics in networks that have parallel computational pathways driven by the same cost function. We use the approximation of deep linear networks with large hidden layer sizes to show that, as the depth of the parallel pathways increases, different features of the training set (defined by the singular values of the input-output correlation) will typically concentrate in one of the pathways. This result is derived analytically and demonstrated with numerical simulation. Thus, …
[ Hall J ]
When quantizing neural networks for efficient inference, low-bit integers are the go-to format for efficiency. However, low-bit floating point numbers have an extra degree of freedom, assigning some bits to work on an exponential scale instead. This paper in-depth investigates this benefit of the floating point format for neural network inference. We detail the choices that can be made for the FP8 format, including the important choice of the number of bits for the mantissa and exponent, and show analytically in which settings these choices give better performance. Then we show how these findings translate to real networks, provide an efficient implementation for FP8 simulation, and a new algorithm that enables the learning of both the scale parameters and number of exponent bits in the FP8 format. Our chief conclusion is that when doing post-training quantization for a wide range of networks, the FP8 format is better than INT8 in terms of accuracy, and the choice of the number of exponent bits is driven by the severity of outliers in the network. We also conduct experiments with quantization-aware training where the difference in formats disappears as the network is trained to reduce the effect of outliers.
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The impossibility theorem of fairness is a foundational result in the algorithmic fairness literature. It states that outside of special cases, one cannot exactly and simultaneously satisfy all three common and intuitive definitions of fairness - demographic parity, equalized odds, and predictive rate parity. This result has driven most works to focus on solutions for one or two of the metrics. Rather than follow suit, in this paper we present a framework that pushes the limits of the impossibility theorem in order to satisfy all three metrics to the best extent possible. We develop an integer-programming based approach that can yield a certifiably optimal post-processing method for simultaneously satisfying multiple fairness criteria under small violations. We show experiments demonstrating that our post-processor can improve fairness across the different definitions simultaneously with minimal model performance reduction. We also discuss applications of our framework for model selection and fairness explainability, thereby attempting to answer the question: Who's the fairest of them all?
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We study a class of dynamical systems modelled as stationary Markov chains that admit an invariant distribution via the corresponding transfer or Koopman operator. While data-driven algorithms to reconstruct such operators are well known, their relationship with statistical learning is largely unexplored. We formalize a framework to learn the Koopman operator from finite data trajectories of the dynamical system. We consider the restriction of this operator to a reproducing kernel Hilbert space and introduce a notion of risk, from which different estimators naturally arise. We link the risk with the estimation of the spectral decomposition of the Koopman operator. These observations motivate a reduced-rank operator regression (RRR) estimator. We derive learning bounds for the proposed estimator, holding both in i.i.d and non i.i.d. settings, the latter in terms of mixing coefficients. Our results suggest RRR might be beneficial over other widely used estimators as confirmed in numerical experiments both for forecasting and mode decomposition.
[ Hall J ]
Graph Convolutional Networks (GCNs) are powerful frameworks for learning embeddings of graph-structured data. GCNs are traditionally studied through the lens of Euclidean geometry. Recent works find that non-Euclidean Riemannian manifolds provide specific inductive biases for embedding hierarchical or spherical data. However, they cannot align well with data of mixed graph topologies. We consider a larger class of pseudo-Riemannian manifolds that generalize hyperboloid and sphere. We develop new geodesic tools that allow for extending neural network operations into geodesically disconnected pseudo-Riemannian manifolds. As a consequence, we derive a pseudo-Riemannian GCN that models data in pseudo-Riemannian manifolds of constant nonzero curvature in the context of graph neural networks. Our method provides a geometric inductive bias that is sufficiently flexible to model mixed heterogeneous topologies like hierarchical graphs with cycles. We demonstrate the representational capabilities of this method by applying it to the tasks of graph reconstruction, node classification, and link prediction on a series of standard graphs with mixed topologies. Empirical results demonstrate that our method outperforms Riemannian counterparts when embedding graphs of complex topologies.
[ Hall J ]
While there has been progress in developing non-vacuous generalization bounds for deep neural networks, these bounds tend to be uninformative about why deep learning works. In this paper, we develop a compression approach based on quantizing neural network parameters in a linear subspace, profoundly improving on previous results to provide state-of-the-art generalization bounds on a variety of tasks, including transfer learning. We use these tight bounds to better understand the role of model size, equivariance, and the implicit biases of optimization, for generalization in deep learning. Notably, we find large models can be compressed to a much greater extent than previously known, encapsulating Occam’s razor.
[ Hall J ]

A mixture of multinomial logits (MMNL) generalizes the single logit model, which is commonly used in predicting the probabilities of different outcomes. While extensive algorithms have been developed in the literature to learn MMNL models, theoretical results are limited. Built on the Frank-Wolfe (FW) method, we propose a new algorithm that learns both mixture weights and component-specific logit parameters with provable convergence guarantees for an arbitrary number of mixtures. Our algorithm utilizes historical choice data to generate a set of candidate choice probability vectors, each being close to the ground truth with a high probability. We further provide a sample complexity analysis to show that only a polynomial number of samples is required to secure the performance guarantee of our algorithm. Finally, we conduct simulation studies to evaluate the performance and demonstrate how to apply our algorithm to real-world applications.
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In this paper, we present a policy gradient method that avoids exploratory noise injection and performs policy search over the deterministic landscape, with the goal of improving learning with long horizons and non-local rewards. By avoiding noise injection all sources of estimation variance can be eliminated in systems with deterministic dynamics (up to the initial state distribution). Since deterministic policy regularization is impossible using traditional non-metric measures such as the KL divergence, we derive a Wasserstein-based quadratic model for our purposes. We state conditions on the system model under which it is possible to establish a monotonic policy improvement guarantee, propose a surrogate function for policy gradient estimation, and show that it is possible to compute exact advantage estimates if both the state transition model and the policy are deterministic. Finally, we describe two novel robotic control environments---one with non-local rewards in the frequency domain and the other with a long horizon (8000 time-steps)---for which our policy gradient method (TDPO) significantly outperforms existing methods (PPO, TRPO, DDPG, and TD3). Our implementation with all the experimental settings and a video of the physical hardware test is available at https://github.com/ehsansaleh/tdpo .
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We consider the dynamic linear regression problem, where the predictor vector may vary with time. This problem can be modeled as a linear dynamical system, with non-constant observation operator, where the parameters that need to be learned are the variance of both the process noise and the observation noise. While variance estimation for dynamic regression is a natural problem, with a variety of applications, existing approaches to this problem either lack guarantees altogether, or only have asymptotic guarantees without explicit rates. In particular, existing literature does not provide any clues to the following fundamental question: In terms of data characteristics, what does the convergence rate depend on? In this paper we study the global system operator -- the operator that maps the noise vectors to the output. We obtain estimates on its spectrum, and as a result derive the first known variance estimators with finite sample complexity guarantees. The proposed bounds depend on the shape of a certain spectrum related to the system operator, and thus provide the first known explicit geometric parameter of the data that can be used to bound estimation errors. In addition, the results hold for arbitrary sub Gaussian distributions of noise terms. We evaluate the …
[ Hall J ]

We give a method for proactively identifying small, plausible shifts in distribution which lead to large differences in model performance. These shifts are defined via parametric changes in the causal mechanisms of observed variables, where constraints on parameters yield a "robustness set" of plausible distributions and a corresponding worst-case loss over the set. While the loss under an individual parametric shift can be estimated via reweighting techniques such as importance sampling, the resulting worst-case optimization problem is non-convex, and the estimate may suffer from large variance. For small shifts, however, we can construct a local second-order approximation to the loss under shift and cast the problem of finding a worst-case shift as a particular non-convex quadratic optimization problem, for which efficient algorithms are available. We demonstrate that this second-order approximation can be estimated directly for shifts in conditional exponential family models, and we bound the approximation error. We apply our approach to a computer vision task (classifying gender from images), revealing sensitivity to shifts in non-causal attributes.
[ Hall J ]

Network data are ubiquitous in our daily life, containing rich but often sensitive information. In this paper, we expand the current static analysis of privatised networks to a dynamic framework by considering a sequence of networks with potential change points. We investigate the fundamental limits in consistently localising change points under both node and edge privacy constraints, demonstrating interesting phase transition in terms of the signal-to-noise ratio condition, accompanied by polynomial-time algorithms. The private signal-to-noise ratio conditions quantify the costs of the privacy for change point localisation problems and exhibit a different scaling in the sparsity parameter compared to the non-private counterparts. Our algorithms are shown to be optimal under the edge LDP constraint up to log factors. Under node LDP constraint, a gap exists between our upper bound and lower bound and we leave it as an interesting open problem, echoing the challenges in high-dimensional statistical inference under LDP constraints.
[ Hall J ]

We study the problem of multi-armed bandits with ε-global Differential Privacy (DP). First, we prove the minimax and problem-dependent regret lower bounds for stochastic and linear bandits that quantify the hardness of bandits with ε-global DP. These bounds suggest the existence of two hardness regimes depending on the privacy budget ε. In the high-privacy regime (small ε), the hardness depends on a coupled effect of privacy and partial information about the reward distributions. In the low-privacy regime (large ε), bandits with ε-global DP are not harder than the bandits without privacy. For stochastic bandits, we further propose a generic framework to design a near-optimal ε global DP extension of an index-based optimistic bandit algorithm. The framework consists of three ingredients: the Laplace mechanism, arm-dependent adaptive episodes, and usage of only the rewards collected in the last episode for computing private statistics. Specifically, we instantiate ε-global DP extensions of UCB and KL-UCB algorithms, namely AdaP-UCB and AdaP-KLUCB. AdaP-KLUCB is the first algorithm that both satisfies ε-global DP and yields a regret upper bound that matches the problem-dependent lower bound up to multiplicative constants.
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We present new algorithms for online convex optimization over unbounded domains that obtain parameter-free regret in high-probability given access only to potentially heavy-tailed subgradient estimates. Previous work in unbounded domains con- siders only in-expectation results for sub-exponential subgradients. Unlike in the bounded domain case, we cannot rely on straight-forward martingale concentration due to exponentially large iterates produced by the algorithm. We develop new regularization techniques to overcome these problems. Overall, with probability at most δ, for all comparators u our algorithm achieves regret O ̃(∥u∥T 1/p log(1/δ)) for subgradients with bounded pth moments for some p ∈ (1, 2].
[ Hall J ]

It is common for data structures such as images and shapes of 2D objects to be represented as points on a manifold. The utility of a mechanism to produce sanitized differentially private estimates from such data is intimately linked to how compatible it is with the underlying structure and geometry of the space. In particular, as recently shown, utility of the Laplace mechanism on a positively curved manifold, such as Kendall’s 2D shape space, is significantly influenced by the curvature. Focusing on the problem of sanitizing the Fr\'echet mean of a sample of points on a manifold, we exploit the characterization of the mean as the minimizer of an objective function comprised of the sum of squared distances and develop a K-norm gradient mechanism on Riemannian manifolds that favors values that produce gradients close to the the zero of the objective function. For the case of positively curved manifolds, we describe how using the gradient of the squared distance function offers better control over sensitivity than the Laplace mechanism, and demonstrate this numerically on a dataset of shapes of corpus callosa. Further illustrations of the mechanism’s utility on a sphere and the manifold of symmetric positive definite matrices are also …
[ Hall J ]

Signal recovery under generative neural network priors has emerged as a promising direction in statistical inference and computational imaging. Theoretical analysis of reconstruction algorithms under generative priors is, however, challenging. For generative priors with fully connected layers and Gaussian i.i.d. weights, this was achieved by the multi-layer approximate message (ML-AMP) algorithm via a rigorous state evolution. However, practical generative priors are typically convolutional, allowing for computational benefits and inductive biases, and so the Gaussian i.i.d. weight assumption is very limiting. In this paper, we overcome this limitation and establish the state evolution of ML-AMP for random convolutional layers. We prove in particular that random convolutional layers belong to the same universality class as Gaussian matrices. Our proof technique is of an independent interest as it establishes a mapping between convolutional matrices and spatially coupled sensing matrices used in coding theory.
[ Hall J ]

An effective aggregation of node features into a graph-level representation via readout functions is an essential step in numerous learning tasks involving graph neural networks. Typically, readouts are simple and non-adaptive functions designed such that the resulting hypothesis space is permutation invariant. Prior work on deep sets indicates that such readouts might require complex node embeddings that can be difficult to learn via standard neighborhood aggregation schemes. Motivated by this, we investigate the potential of adaptive readouts given by neural networks that do not necessarily give rise to permutation invariant hypothesis spaces. We argue that in some problems such as binding affinity prediction where molecules are typically presented in a canonical form it might be possible to relax the constraints on permutation invariance of the hypothesis space and learn a more effective model of the affinity by employing an adaptive readout function. Our empirical results demonstrate the effectiveness of neural readouts on more than 40 datasets spanning different domains and graph characteristics. Moreover, we observe a consistent improvement over standard readouts (i.e., sum, max, and mean) relative to the number of neighborhood aggregation iterations and different convolutional operators.
[ Hall J ]
Variational Bayesian posterior inference often requires simplifying approximations such as mean-field parametrisation to ensure tractability. However, prior work has associated the variational mean-field approximation for Bayesian neural networks with underfitting in the case of small datasets or large model sizes. In this work, we show that invariances in the likelihood function of over-parametrised models contribute to this phenomenon because these invariances complicate the structure of the posterior by introducing discrete and/or continuous modes which cannot be well approximated by Gaussian mean-field distributions. In particular, we show that the mean-field approximation has an additional gap in the evidence lower bound compared to a purpose-built posterior that takes into account the known invariances. Importantly, this invariance gap is not constant; it vanishes as the approximation reverts to the prior. We proceed by first considering translation invariances in a linear model with a single data point in detail. We show that, while the true posterior can be constructed from a mean-field parametrisation, this is achieved only if the objective function takes into account the invariance gap. Then, we transfer our analysis of the linear model to neural networks. Our analysis provides a framework for future work to explore solutions to the invariance problem.
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For predictive models to provide reliable guidance in decision making processes, they are often required to be accurate and robust to distribution shifts. Shortcut learning--where a model relies on spurious correlations or shortcuts to predict the target label--undermines the robustness property, leading to models with poor out-of-distribution accuracy despite good in-distribution performance. Existing work on shortcut learning either assumes that the set of possible shortcuts is known a priori or is discoverable using interpretability methods such as saliency maps, which might not always be true. Instead, we propose a two step approach to (1) efficiently identify relevant shortcuts, and (2) leverage the identified shortcuts to build models that are robust to distribution shifts. Our approach relies on having access to a (possibly) high dimensional set of auxiliary labels at training time, some of which correspond to possible shortcuts. We show both theoretically and empirically that our approach is able to identify a sufficient set of shortcuts leading to more efficient predictors in finite samples.
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A burgeoning paradigm in algorithm design is the field of algorithms with predictions, in which algorithms can take advantage of a possibly-imperfect prediction of some aspect of the problem. While much work has focused on using predictions to improve competitive ratios, running times, or other performance measures, less effort has been devoted to the question of how to obtain the predictions themselves, especially in the critical online setting. We introduce a general design approach for algorithms that learn predictors: (1) identify a functional dependence of the performance measure on the prediction quality and (2) apply techniques from online learning to learn predictors, tune robustness-consistency trade-offs, and bound the sample complexity. We demonstrate the effectiveness of our approach by applying it to bipartite matching, ski-rental, page migration, and job scheduling. In several settings we improve upon multiple existing results while utilizing a much simpler analysis, while in the others we provide the first learning-theoretic guarantees.
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This paper introduces a general multi-agent bandit model in which each agent is facing a finite set of arms and may communicate with other agents through a central controller in order to identify -in pure exploration- or play -in regret minimization- its optimal arm. The twist is that the optimal arm for each agent is the arm with largest expected mixed reward, where the mixed reward of an arm is a weighted sum of the rewards of this arm for all agents. This makes communication between agents often necessary. This general setting allows to recover and extend several recent models for collaborative bandit learning, including the recently proposed federated learning with personalization [Shi et al., 2021]. In this paper, we provide new lower bounds on the sample complexity of pure exploration and on the regret. We then propose a near-optimal algorithm for pure exploration. This algorithm is based on phased elimination with two novel ingredients: a data-dependent sampling scheme within each phase, aimed at matching a relaxation of the lower bound.
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Consider a bandit algorithm that recommends actions to self-interested users in a recommendation system. The users are free to choose other actions and need to be incentivized to follow the algorithm's recommendations. While the users prefer to exploit, the algorithm can incentivize them to explore by leveraging the information collected from the previous users. All published work on this problem, known as incentivized exploration, focuses on small, unstructured action sets and mainly targets the case when the users' beliefs are independent across actions. However, realistic exploration problems often feature large, structured action sets and highly correlated beliefs. We focus on a paradigmatic exploration problem with structure: combinatorial semi-bandits. We prove that Thompson Sampling, when applied to combinatorial semi-bandits, is incentive-compatible when initialized with a sufficient number of samples of each arm (where this number is determined in advance by the Bayesian prior). Moreover, we design incentive-compatible algorithms for collecting the initial samples.
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Importance Sampling (IS) is a method for approximating expectations with respect to a target distribution using independent samples from a proposal distribution and the associated to importance weights. In many cases, the target distribution is known up to a normalization constant and self-normalized IS (SNIS) is then used. While the use of self-normalization can have a positive effect on the dispersion of the estimator, it introduces bias. In this work, we propose a new method BR-SNIS whose complexity is essentially the same as SNIS and which significantly reduces bias. This method is a wrapper, in the sense that it uses the same proposal samples and importance weights but makes a clever use of iterated sampling-importance-resampling (i-SIR) to form a bias-reduced version of the estimator. We derive the proposed algorithm with rigorous theoretical results, including novel bias, variance, and high-probability bounds. We illustrate our findings with numerical examples.
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We present a series of new differentially private (DP) algorithms with dimension-independent margin guarantees. For the family of linear hypotheses, we give a pure DP learning algorithm that benefits from relative deviation margin guarantees, as well as an efficient DP learning algorithm with margin guarantees. We also present a new efficient DP learning algorithm with margin guarantees for kernel-based hypotheses with shift-invariant kernels, such as Gaussian kernels, and point out how our results can be extended to other kernels using oblivious sketching techniques. We further give a pure DP learning algorithm for a family of feed-forward neural networks for which we prove margin guarantees that are independent of the input dimension. Additionally, we describe a general label DP learning algorithm, which benefits from relative deviation margin bounds and is applicable to a broad family of hypothesis sets, including that of neural networks. Finally, we show how our DP learning algorithms can be augmented in a general way to include model selection, to select the best confidence margin parameter.
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The Bayes-Adaptive Markov Decision Process (BAMDP) formalism pursues the Bayes-optimal solution to the exploration-exploitation trade-off in reinforcement learning. As the computation of exact solutions to Bayesian reinforcement-learning problems is intractable, much of the literature has focused on developing suitable approximation algorithms. In this work, before diving into algorithm design, we first define, under mild structural assumptions, a complexity measure for BAMDP planning. As efficient exploration in BAMDPs hinges upon the judicious acquisition of information, our complexity measure highlights the worst-case difficulty of gathering information and exhausting epistemic uncertainty. To illustrate its significance, we establish a computationally-intractable, exact planning algorithm that takes advantage of this measure to show more efficient planning. We then conclude by introducing a specific form of state abstraction with the potential to reduce BAMDP complexity and gives rise to a computationally-tractable, approximate planning algorithm.
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Lipschitz constrained networks have gathered considerable attention in the deep learning community, with usages ranging from Wasserstein distance estimation to the training of certifiably robust classifiers. However they remain commonly considered as less accurate, and their properties in learning are still not fully understood. In this paper we clarify the matter: when it comes to classification 1-Lipschitz neural networks enjoy several advantages over their unconstrained counterpart. First, we show that these networks are as accurate as classical ones, and can fit arbitrarily difficult boundaries. Then, relying on a robustness metric that reflects operational needs we characterize the most robust classifier: the WGAN discriminator. Next, we show that 1-Lipschitz neural networks generalize well under milder assumptions. Finally, we show that hyper-parameters of the loss are crucial for controlling the accuracy-robustness trade-off. We conclude that they exhibit appealing properties to pave the way toward provably accurate, and provably robust neural networks.
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Having similar behavior at training time and test time—what we call a “What You See Is What You Get” (WYSIWYG) property—is desirable in machine learning. Models trained with standard stochastic gradient descent (SGD), however, do not necessarily have this property, as their complex behaviors such as robustness or subgroup performance can differ drastically between training and test time. In contrast, we show that Differentially-Private (DP) training provably ensures the high-level WYSIWYG property, which we quantify using a notion of distributional generalization. Applying this connection, we introduce new conceptual tools for designing deep-learning methods by reducing generalization concerns to optimization ones: to mitigate unwanted behavior at test time, it is provably sufficient to mitigate this behavior on the training data. By applying this novel design principle, which bypasses “pathologies” of SGD, we construct simple algorithms that are competitive with SOTA in several distributional-robustness applications, significantly improve the privacy vs. disparate impact trade-off of DP-SGD, and mitigate robust overfitting in adversarial training. Finally, we also improve on theoretical bounds relating DP, stability, and distributional generalization.
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The goal in offline data-driven decision-making is synthesize decisions that optimize a black-box utility function, using a previously-collected static dataset, with no active interaction. These problems appear in many forms: offline reinforcement learning (RL), where we must produce actions that optimize the long-term reward, bandits from logged data, where the goal is to determine the correct arm, and offline model-based optimization (MBO) problems, where we must find the optimal design provided access to only a static dataset. A key challenge in all these settings is distributional shift: when we optimize with respect to the input into a model trained from offline data, it is easy to produce an out-of-distribution (OOD) input that appears erroneously good. In contrast to prior approaches that utilize pessimism or conservatism to tackle this problem, in this paper, we formulate offline data-driven decision-making as domain adaptation, where the goal is to make accurate predictions for the value of optimized decisions (“target domain”), when training only on the dataset (“source domain”). This perspective leads to invariant objective models (IOM), our approach for addressing distributional shift by enforcing invariance between the learned representations of the training dataset and optimized decisions. In IOM, if the optimized decisions are too …
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Although the variational autoencoder (VAE) and its conditional extension (CVAE) are capable of state-of-the-art results across multiple domains, their precise behavior is still not fully understood, particularly in the context of data (like images) that lie on or near a low-dimensional manifold. For example, while prior work has suggested that the globally optimal VAE solution can learn the correct manifold dimension, a necessary (but not sufficient) condition for producing samples from the true data distribution, this has never been rigorously proven. Moreover, it remains unclear how such considerations would change when various types of conditioning variables are introduced, or when the data support is extended to a union of manifolds (e.g., as is likely the case for MNIST digits and related). In this work, we address these points by first proving that VAE global minima are indeed capable of recovering the correct manifold dimension. We then extend this result to more general CVAEs, demonstrating practical scenarios whereby the conditioning variables allow the model to adaptively learn manifolds of varying dimension across samples. Our analyses, which have practical implications for various CVAE design choices, are also supported by numerical results on both synthetic and real-world datasets.
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The best neural architecture for a given machine learning problem depends on many factors: not only the complexity and structure of the dataset, but also on resource constraints including latency, compute, energy consumption, etc. Neural architecture search (NAS) for tabular datasets is an important but under-explored problem. Previous NAS algorithms designed for image search spaces incorporate resource constraints directly into the reinforcement learning (RL) rewards. However, for NAS on tabular datasets, this protocol often discovers suboptimal architectures. This paper develops TabNAS, a new and more effective approach to handle resource constraints in tabular NAS using an RL controller motivated by the idea of rejection sampling. TabNAS immediately discards any architecture that violates the resource constraints without training or learning from that architecture. TabNAS uses a Monte-Carlo-based correction to the RL policy gradient update to account for this extra filtering step. Results on several tabular datasets demonstrate the superiority of TabNAS over previous reward-shaping methods: it finds better models that obey the constraints.
[ Hall J ]
A critical problem in the field of post hoc explainability is the lack of a common foundational goal among methods. For example, some methods are motivated by function approximation, some by game theoretic notions, and some by obtaining clean visualizations. This fragmentation of goals causes not only an inconsistent conceptual understanding of explanations but also the practical challenge of not knowing which method to use when.In this work, we begin to address these challenges by unifying eight popular post hoc explanation methods (LIME, C-LIME, KernelSHAP, Occlusion, Vanilla Gradients, Gradients × Input, SmoothGrad, and Integrated Gradients). We show that these methods all perform local function approximation of the black-box model, differing only in the neighbourhood and loss function used to perform the approximation. This unification enables us to (1) state a no free lunch theorem for explanation methods, demonstrating that no method can perform optimally across all neighbourhoods, and (2) provide a guiding principle to choose among methods based on faithfulness to the black-box model. We empirically validate these theoretical results using various real-world datasets, model classes, and prediction tasks.By bringing diverse explanation methods into a common framework, this work (1) advances the conceptual understanding of these methods, revealing their shared …
[ Hall J ]
Data valuation, or the valuation of individual datum contributions, has seen growing interest in machine learning due to its demonstrable efficacy for tasks such as noisy label detection. In particular, due to the desirable axiomatic properties, several Shapley value approximations have been proposed. In these methods, the value function is usually defined as the predictive accuracy over the entire development set. However, this limits the ability to differentiate between training instances that are helpful or harmful to their own classes. Intuitively, instances that harm their own classes may be noisy or mislabeled and should receive a lower valuation than helpful instances. In this work, we propose CS-Shapley, a Shapley value with a new value function that discriminates between training instances’ in-class and out-of-class contributions. Our theoretical analysis shows the proposed value function is (essentially) the unique function that satisfies two desirable properties for evaluating data values in classification. Further, our experiments on two benchmark evaluation tasks (data removal and noisy label detection) and four classifiers demonstrate the effectiveness of CS-Shapley over existing methods. Lastly, we evaluate the “transferability” of data values estimated from one classifier to others, and our results suggest Shapley-based data valuation is transferable for application across different …
[ Hall J ]

Reinforcement learning (RL) has been widely used in text generation to alleviate the exposure bias issue or to utilize non-parallel datasets. The reward function plays an important role in making RL training successful. However, previous reward functions are typically task-specific and sparse, restricting the use of RL. In our work, we propose a task-agnostic approach that derives a step-wise reward function directly from a model trained with teacher forcing. We additionally propose a simple modification to stabilize the RL training on non-parallel datasets with our induced reward function. Empirical results show that our method outperforms self-training and reward regression methods on several text generation tasks, confirming the effectiveness of our reward function.
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This paper presents a new efficient black-box attribution method built on Hilbert-Schmidt Independence Criterion (HSIC). Based on Reproducing Kernel Hilbert Spaces (RKHS), HSIC measures the dependence between regions of an input image and the output of a model using the kernel embedding of their distributions. It thus provides explanations enriched by RKHS representation capabilities. HSIC can be estimated very efficiently, significantly reducing the computational cost compared to other black-box attribution methods.Our experiments show that HSIC is up to 8 times faster than the previous best black-box attribution methods while being as faithful.Indeed, we improve or match the state-of-the-art of both black-box and white-box attribution methods for several fidelity metrics on Imagenet with various recent model architectures.Importantly, we show that these advances can be transposed to efficiently and faithfully explain object detection models such as YOLOv4. Finally, we extend the traditional attribution methods by proposing a new kernel enabling an ANOVA-like orthogonal decomposition of importance scores based on HSIC, allowing us to evaluate not only the importance of each image patch but also the importance of their pairwise interactions. Our implementation is available at \url{https://github.com/paulnovello/HSIC-Attribution-Method}.
[ Hall J ]
Recently, implicit graph neural networks (GNNs) have been proposed to capture long-range dependencies in underlying graphs. In this paper, we introduce and justify two weaknesses of implicit GNNs: the constrained expressiveness due to their limited effective range for capturing long-range dependencies, and their lack of ability to capture multiscale information on graphs at multiple resolutions. To show the limited effective range of previous implicit GNNs, we first provide a theoretical analysis and point out the intrinsic relationship between the effective range and the convergence of iterative equations used in these models. To mitigate the mentioned weaknesses, we propose a multiscale graph neural network with implicit layers (MGNNI) which is able to model multiscale structures on graphs and has an expanded effective range for capturing long-range dependencies. We conduct comprehensive experiments for both node classification and graph classification to show that MGNNI outperforms representative baselines and has a better ability for multiscale modeling and capturing of long-range dependencies.
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Learning latent vector representations via embedding models has been shown promising in machine learning. However, most of the embedding models are still limited to a single type of observation data. We propose a Gaussian copula embedding model to learn latent vector representations of items in a heterogeneous data setting. The proposed model can effectively incorporate different types of observed data and, at the same time, yield robust embeddings. We demonstrate the proposed model can effectively learn in many different scenarios, outperforming competing models in modeling quality and task performance.
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We propose an analysis in fair learning that preserves the utility of the data while reducing prediction disparities under the criteria of group sufficiency. We focus on the scenario where the data contains multiple or even many subgroups, each with limited number of samples. As a result, we present a principled method for learning a fair predictor for all subgroups via formulating it as a bilevel objective. Specifically, the subgroup specific predictors are learned in the lower-level through a small amount of data and the fair predictor. In the upper-level, the fair predictor is updated to be close to all subgroup specific predictors. We further prove that such a bilevel objective can effectively control the group sufficiency and generalization error. We evaluate the proposed framework on real-world datasets. Empirical evidence suggests the consistently improved fair predictions, as well as the comparable accuracy to the baselines.
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We present modality gap, an intriguing geometric phenomenon of the representation space of multi-modal models. Specifically, we show that different data modalities (e.g. images and text) are embedded at arm's length in their shared representation in multi-modal models such as CLIP. Our systematic analysis demonstrates that this gap is caused by a combination of model initialization and contrastive learning optimization. In model initialization, we show empirically and theoretically that the representation of a common deep neural network is restricted to a narrow cone. As a consequence, in a multi-modal model with two encoders, the representations of the two modalities are clearly apart when the model is initialized. During optimization, contrastive learning keeps the different modalities separate by a certain distance, which is influenced by the temperature parameter in the loss function. Our experiments further demonstrate that varying the modality gap distance has a significant impact in improving the model's downstream zero-shot classification performance and fairness.
[ Hall J ]

In recent computer vision research, the advent of the Vision Transformer (ViT) has rapidly revolutionized various architectural design efforts: ViT achieved state-of-the-art image classification performance using self-attention found in natural language processing, and MLP-Mixer achieved competitive performance using simple multi-layer perceptrons. In contrast, several studies have also suggested that carefully redesigned convolutional neural networks (CNNs) can achieve advanced performance comparable to ViT without resorting to these new ideas. Against this background, there is growing interest in what inductive bias is suitable for computer vision. Here we propose Sequencer, a novel and competitive architecture alternative to ViT that provides a new perspective on these issues. Unlike ViTs, Sequencer models long-range dependencies using LSTMs rather than self-attention layers. We also propose a two-dimensional version of Sequencer module, where an LSTM is decomposed into vertical and horizontal LSTMs to enhance performance. Despite its simplicity, several experiments demonstrate that Sequencer performs impressively well: Sequencer2D-L, with 54M parameters, realizes 84.6% top-1 accuracy on only ImageNet-1K. Not only that, we show that it has good transferability and the robust resolution adaptability on double resolution-band. solution-band. Our source code is available at https://github.com/okojoalg/sequencer.
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Large sparsely-activated models have obtained excellent performance in multiple domains.However, such models are typically trained on a single modality at a time.We present the Language-Image MoE, LIMoE, a sparse mixture of experts model capable of multimodal learning.LIMoE accepts both images and text simultaneously, while being trained using a contrastive loss.MoEs are a natural fit for a multimodal backbone, since expert layers can learn an appropriate partitioning of modalities.However, new challenges arise; in particular, training stability and balanced expert utilization, for which we propose an entropy-based regularization scheme.Across multiple scales, we demonstrate performance improvement over dense models of equivalent computational cost.LIMoE-L/16 trained comparably to CLIP-L/14 achieves 77.9% zero-shot ImageNet accuracy (vs. 76.2%), and when further scaled to H/14 (with additional data) it achieves 83.8%, approaching state-of-the-art methods which use custom per-modality backbones and pre-training schemes.We analyse the quantitative and qualitative behavior of LIMoE, and demonstrate phenomena such as differing treatment of the modalities and the emergence of modality-specific experts.
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Polynomial Networks (PNs) have demonstrated promising performance on face and image recognition recently. However, robustness of PNs is unclear and thus obtaining certificates becomes imperative for enabling their adoption in real-world applications. Existing verification algorithms on ReLU neural networks (NNs) based on classical branch and bound (BaB) techniques cannot be trivially applied to PN verification. In this work, we devise a new bounding method, equipped with BaB for global convergence guarantees, called Verification of Polynomial Networks or VPN for short. One key insight is that we obtain much tighter bounds than the interval bound propagation (IBP) and DeepT-Fast [Bonaert et al., 2021] baselines. This enables sound and complete PN verification with empirical validation on MNIST, CIFAR10 and STL10 datasets. We believe our method has its own interest to NN verification. The source code is publicly available at https://github.com/megaelius/PNVerification.
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Federated learning (FL) strives to enable collaborative training of machine learning models without centrally collecting clients' private data. Different from centralized training, the local datasets across clients in FL are non-independent and identically distributed (non-IID). In addition, the data-owning clients may drop out of the training process arbitrarily. These characteristics will significantly degrade the training performance. This paper proposes a Dropout-Resilient Secure Federated Learning (DReS-FL) framework based on Lagrange coded computing (LCC) to tackle both the non-IID and dropout problems. The key idea is to utilize Lagrange coding to secretly share the private datasets among clients so that each client receives an encoded version of the global dataset, and the local gradient computation over this dataset is unbiased. To correctly decode the gradient at the server, the gradient function has to be a polynomial in a finite field, and thus we construct polynomial integer neural networks (PINNs) to enable our framework. Theoretical analysis shows that DReS-FL is resilient to client dropouts and provides privacy protection for the local datasets. Furthermore, we experimentally demonstrate that DReS-FL consistently leads to significant performance gains over baseline methods.
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Feature attribution for kernel methods is often heuristic and not individualised for each prediction. To address this, we turn to the concept of Shapley values (SV), a coalition game theoretical framework that has previously been applied to different machine learning model interpretation tasks, such as linear models, tree ensembles and deep networks. By analysing SVs from a functional perspective, we propose RKHS-SHAP, an attribution method for kernel machines that can efficiently compute both Interventional and Observational Shapley values using kernel mean embeddings of distributions. We show theoretically that our method is robust with respect to local perturbations - a key yet often overlooked desideratum for consistent model interpretation. Further, we propose Shapley regulariser, applicable to a general empirical risk minimisation framework, allowing learning while controlling the level of specific feature's contributions to the model. We demonstrate that the Shapley regulariser enables learning which is robust to covariate shift of a given feature and fair learning which controls the SVs of sensitive features.
[ Hall J ]

We study survival analysis in the dynamic setting: We seek to model the time to an event of interest given sequences of states. Taking inspiration from temporal-difference learning, a central idea in reinforcement learning, we develop algorithms that estimate a discrete-time survival model by exploiting a temporal-consistency condition. Intuitively, this condition captures the fact that the survival distribution at consecutive states should be similar, accounting for the delay between states. Our method can be combined with any parametric survival model and naturally accommodates right-censored observations. We demonstrate empirically that it achieves better sample-efficiency and predictive performance compared to approaches that directly regress the observed survival outcome.
[ Hall J ]
Recent advances in neural models have shown great results for virtual try-on (VTO) problems, where a 3D representation of a garment is deformed to fit a target body shape. However, current solutions are limited to a single garment layer, and cannot address the combinatorial complexity of mixing different garments. Motivated by this limitation, we investigate the use of neural fields for mix-and-match VTO, and identify and solve a fundamental challenge that existing neural-field methods cannot address: the interaction between layered neural fields. To this end, we propose a neural model that untangles layered neural fields to represent collision-free garment surfaces. The key ingredient is a neural untangling projection operator that works directly on the layered neural fields, not on explicit surface representations. Algorithms to resolve object-object interaction are inherently limited by the use of explicit geometric representations, and we show how methods that work directly on neural implicit representations could bring a change of paradigm and open the door to radically different approaches.
[ Hall J ]
AI-based molecule generation provides a promising approach to a large area of biomedical sciences and engineering, such as antibody design, hydrolase engineering, or vaccine development. Because the molecules are governed by physical laws, a key challenge is to incorporate prior information into the training procedure to generate high-quality and realistic molecules. We propose a simple and novel approach to steer the training of diffusion-based generative models with physical and statistics prior information. This is achieved by constructing physically informed diffusion bridges, stochastic processes that guarantee to yield a given observation at the fixed terminal time. We develop a Lyapunov function based method to construct and determine bridges, and propose a number of proposals of informative prior bridges for both high-quality molecule generation and uniformity-promoted 3D point cloud generation. With comprehensive experiments, we show that our method provides a powerful approach to the 3D generation task, yielding molecule structures with better quality and stability scores and more uniformly distributed point clouds of high qualities.
[ Hall J ]
Recent empirical work has shown that hierarchical convolutional kernels inspired by convolutional neural networks (CNNs) significantly improve the performance of kernel methods in image classification tasks. A widely accepted explanation for their success is that these architectures encode hypothesis classes that are suitable for natural images. However, understanding the precise interplay between approximation and generalization in convolutional architectures remains a challenge. In this paper, we consider the stylized setting of covariates (image pixels) uniformly distributed on the hypercube, and characterize exactly the RKHS of kernels composed of single layers of convolution, pooling, and downsampling operations. We use this characterization to compute sharp asymptotics of the generalization error for any given function in high-dimension. In particular, we quantify the gain in sample complexity brought by enforcing locality with the convolution operation and approximate translation invariance with average pooling. Notably, these results provide a precise description of how convolution and pooling operations trade off approximation with generalization power in one layer convolutional kernels.
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It has been observed that visual classification models often rely mostly on spurious cues such as the image background, which hurts their robustness to distribution changes. To alleviate this shortcoming, we propose to monitor the model's relevancy signal and direct the model to base its prediction on the foreground object.This is done as a finetuning step, involving relatively few samples consisting of pairs of images and their associated foreground masks. Specifically, we encourage the model's relevancy map (i) to assign lower relevance to background regions, (ii) to consider as much information as possible from the foreground, and (iii) we encourage the decisions to have high confidence. When applied to Vision Transformer (ViT) models, a marked improvement in robustness to domain-shifts is observed. Moreover, the foreground masks can be obtained automatically, from a self-supervised variant of the ViT model itself; therefore no additional supervision is required. Our code is available at: https://github.com/hila-chefer/RobustViT.
[ Hall J ]
We present a novel framework for unsupervised object-centric 3D scene understanding that generalizes robustly to out-of-distribution images. To achieve this, we design a causal generative model reflecting the physical process by which an image is produced, when a camera captures a scene containing multiple objects. This model is trained to reconstruct multi-view images via a latent representation describing the shapes, colours and positions of the 3D objects they show. It explicitly represents object instances as separate neural radiance fields, placed into a 3D scene. We then propose an inference algorithm that can infer this latent representation given a single out-of-distribution image as input -- even when it shows an unseen combination of components, unseen spatial compositions or a radically new viewpoint. We conduct extensive experiments applying our approach to test datasets that have zero probability under the training distribution. These show that it accurately reconstructs a scene's geometry, segments objects and infers their positions, despite not receiving any supervision. Our approach significantly out-performs baselines that do not capture the true causal image generation process.
[ Hall J ]
Neural networks trained with ERM (empirical risk minimization) sometimes learn unintended decision rules, in particular when their training data is biased, i.e., when training labels are strongly correlated with undesirable features. To prevent a network from learning such features, recent methods augment training data such that examples displaying spurious correlations (i.e., bias-aligned examples) become a minority, whereas the other, bias-conflicting examples become prevalent. However, these approaches are sometimes difficult to train and scale to real-world data because they rely on generative models or disentangled representations. We propose an alternative based on mixup, a popular augmentation that creates convex combinations of training examples. Our method, coined SelecMix, applies mixup to contradicting pairs of examples, defined as showing either (i) the same label but dissimilar biased features, or (ii) different labels but similar biased features. Identifying such pairs requires comparing examples with respect to unknown biased features. For this, we utilize an auxiliary contrastive model with the popular heuristic that biased features are learned preferentially during training. Experiments on standard benchmarks demonstrate the effectiveness of the method, in particular when label noise complicates the identification of bias-conflicting examples.
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We propose a general and efficient framework to control auto-regressive generation models with NeurAlly-Decomposed Oracle (NADO). Given a pre-trained base language model and a sequence-level boolean oracle function, we aim to decompose the oracle function into token-level guidance to steer the base model in text generation. Specifically, the token-level guidance is provided by NADO, a neural model trained with examples sampled from the base model, demanding no additional auxiliary labeled data. Based on posterior regularization, we present the close-form optimal solution to incorporate the decomposed token-level guidance into the base model for controllable generation. We further discuss how the neural approximation affects the quality of the solution. These experiments conducted on two different applications: (1) text generation with lexical constraints and (2) machine translation with formality control demonstrate that our framework efficiently guides the base model towards the given oracle while keeping high generation quality.
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In many sequential tasks, a model needs to remember relevant events from the distant past to make correct predictions. Unfortunately, a straightforward application of gradient based training requires intermediate computations to be stored for every element of a sequence. This requires to store prohibitively large intermediate data if a sequence consists of thousands or even millions elements, and as a result, makes learning of very long-term dependencies infeasible. However, the majority of sequence elements can usually be predicted by taking into account only temporally local information. On the other hand, predictions affected by long-term dependencies are sparse and characterized by high uncertainty given only local information. We propose \texttt{MemUP}, a new training method that allows to learn long-term dependencies without backpropagating gradients through the whole sequence at a time. This method can potentially be applied to any recurrent architecture. LSTM network trained with \texttt{MemUP} performs better or comparable to baselines while requiring to store less intermediate data.
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In this paper, we empirically study how to make the most of low-resolution frames for efficient video recognition. Existing methods mainly focus on developing compact networks or alleviating temporal redundancy of video inputs to increase efficiency, whereas compressing frame resolution has rarely been considered a promising solution. A major concern is the poor recognition accuracy on low-resolution frames. We thus start by analyzing the underlying causes of performance degradation on low-resolution frames. Our key finding is that the major cause of degradation is not information loss in the down-sampling process, but rather the mismatch between network architecture and input scale. Motivated by the success of knowledge distillation (KD), we propose to bridge the gap between network and input size via cross-resolution KD (ResKD). Our work shows that ResKD is a simple but effective method to boost recognition accuracy on low-resolution frames. Without bells and whistles, ResKD considerably surpasses all competitive methods in terms of efficiency and accuracy on four large-scale benchmark datasets, i.e., ActivityNet, FCVID, Mini-Kinetics, Something-Something V2. In addition, we extensively demonstrate its effectiveness over state-of-the-art architectures, i.e., 3D-CNNs and Video Transformers, and scalability towards super low-resolution frames. The results suggest ResKD can serve as a general inference acceleration …
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[ Hall J ]

Few-shot in-context learning (ICL) enables pre-trained language models to perform a previously-unseen task without any gradient-based training by feeding a small number of training examples as part of the input. ICL incurs substantial computational, memory, and storage costs because it involves processing all of the training examples every time a prediction is made. Parameter-efficient fine-tuning (PEFT) (e.g. adapter modules, prompt tuning, sparse update methods, etc.) offers an alternative paradigm where a small set of parameters are trained to enable a model to perform the new task. In this paper, we rigorously compare few-shot ICL and PEFT and demonstrate that the latter offers better accuracy as well as dramatically lower computational costs. Along the way, we introduce a new PEFT method called (IA)^3 that scales activations by learned vectors, attaining stronger performance while only introducing a relatively tiny amount of new parameters. We also propose a simple recipe based on the T0 model called T-Few that can be applied to new tasks without task-specific tuning or modifications. We validate the effectiveness of T-Few on completely unseen tasks by applying it to the RAFT benchmark, attaining super-human performance for the first time and outperforming the state-of-the-art by 6% absolute. All of the …
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Multi-fidelity modeling and learning is important in physical simulation related applications. It can leverage both low-fidelity and high-fidelity examples for training so as to reduce the cost of data generation yet still achieving good performance. While existing approaches only model finite, discrete fidelities, in practice, the feasible fidelity choice is often infinite, which can correspond to a continuous mesh spacing or finite element length. In this paper, we propose Infinite Fidelity Coregionalization (IFC). Given the data, our method can extract and exploit rich information within infinite, continuous fidelities to bolster the prediction accuracy. Our model can interpolate and/or extrapolate the predictions to novel fidelities that are not covered by the training data. Specifically, we introduce a low-dimensional latent output as a continuous function of the fidelity and input, and multiple it with a basis matrix to predict high-dimensional solution outputs. We model the latent output as a neural Ordinary Differential Equation (ODE) to capture the complex relationships within and integrate information throughout the continuous fidelities. We then use Gaussian processes or another ODE to estimate the fidelity-varying bases. For efficient inference, we reorganize the bases as a tensor, and use a tensor-Gaussian variational posterior approximation to develop a scalable inference …
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[ Hall J ]

Differentially private data generation techniques have become a promising solution to the data privacy challenge –– it enables sharing of data while complying with rigorous privacy guarantees, which is essential for scientific progress in sensitive domains. Unfortunately, restricted by the inherent complexity of modeling high-dimensional distributions, existing private generative models are struggling with the utility of synthetic samples. In contrast to existing works that aim at fitting the complete data distribution, we directly optimize for a small set of samples that are representative of the distribution, which is generally an easier task and more suitable for private training. Moreover, we exploit discriminative information from downstream tasks to further ease the training. Our work provides an alternative view for differentially private generation of high-dimensional data and introduces a simple yet effective method that greatly improves the sample utility of state-of-the-art approaches.
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We provide a differentially private algorithm for producing synthetic data simultaneously useful for multiple tasks: marginal queries and multitask machine learning (ML). A key innovation in our algorithm is the ability to directly handle numerical features, in contrast to a number of related prior approaches which require numerical features to be first converted into {high cardinality} categorical features via {a binning strategy}. Higher binning granularity is required for better accuracy, but this negatively impacts scalability. Eliminating the need for binning allows us to produce synthetic data preserving large numbers of statistical queries such as marginals on numerical features, and class conditional linear threshold queries. Preserving the latter means that the fraction of points of each class label above a particular half-space is roughly the same in both the real and synthetic data. This is the property that is needed to train a linear classifier in a multitask setting. Our algorithm also allows us to produce high quality synthetic data for mixed marginal queries, that combine both categorical and numerical features. Our method consistently runs 2-5x faster than the best comparable techniques, and provides significant accuracy improvements in both marginal queries and linear prediction tasks for mixed-type datasets.
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Diffusion-based generative models are extremely effective in generating high-quality images, with generated samples often surpassing the quality of those produced by other models under several metrics. One distinguishing feature of these models, however, is that they typically require long sampling chains in order to produce high-fidelity images. This presents a challenge not only from the lenses of sampling time, but also from the inherent difficulty in backpropagating through these chains in order to accomplish tasks such as model inversion, i.e., approximately finding latent states that generate known images. In this paper, we look at diffusion models through a different perspective, that of a (deep) equilibrium (DEQ) fixed point model. Specifically, we extend the recent denoising diffusion implicit model (DDIM), and model the entire sampling chain as a joint, multi-variate fixed point system. This setup provides an elegant unification of diffusion and equilibrium models, and shows benefits in 1) single-shot image sampling, as it replaces the fully-serial typical sampling process with a parallel one; and 2) model inversion, where we can leverage fast gradients in the DEQ setting to much more quickly find the noise that generates a given image. The approach is also orthogonal and thus complementary to other methods …
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It has been observed that the generalization performance of neural networks correlates with the sharpness of their loss landscape. Dinh et al. (2017) have observed that existing formulations of sharpness measures fail to be invariant with respect to scaling and reparametrization. While some scale-invariant measures have recently been proposed, reparametrization-invariant measures are still lacking. Moreover, they often do not provide any theoretical insights into generalization performance nor lead to practical use to improve the performance. Based on an information geometric analysis of the neural network parameter space, in this paper we propose a reparametrization-invariant sharpness measure that captures the change in loss with respect to changes in the probability distribution modeled by neural networks, rather than with respect to changes in the parameter values. We reveal some theoretical connections of our measure to generalization performance. In particular, experiments confirm that using our measure as a regularizer in neural network training significantly improves performance.
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In this paper we propose a general framework to perform statistical online inference in a class of constant step size stochastic approximation (SA) problems, including the well-known stochastic gradient descent (SGD) and Q-learning. Regarding a constant step size SA procedure as a time-homogeneous Markov chain, we establish a functional central limit theorem (FCLT) for it under weaker conditions, and then construct confidence intervals for parameters via random scaling. To leverage the FCLT results in the Markov chain setting, an alternative condition that is more applicable for SA problems is established. We conduct experiments to perform inference with both random scaling and other traditional inference methods, and finds that the former has a more accurate and robust performance.
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Deep learning has achieved many breakthroughs in modern classification tasks. Numerous architectures have been proposed for different data structures but when it comes to the loss function, the cross-entropy loss is the predominant choice. Recently, several alternative losses have seen revived interests for deep classifiers. In particular, empirical evidence seems to promote square loss but a theoretical justification is still lacking. In this work, we contribute to the theoretical understanding of square loss in classification by systematically investigating how it performs for overparametrized neural networks in the neural tangent kernel (NTK) regime. Interesting properties regarding the generalization error, robustness, and calibration error are revealed. We consider two cases, according to whether classes are separable or not. In the general non-separable case, fast convergence rate is established for both misclassification rate and calibration error. When classes are separable, the misclassification rate improves to be exponentially fast. Further, the resulting margin is proven to be lower bounded away from zero, providing theoretical guarantees for robustness. We expect our findings to hold beyond the NTK regime and translate to practical settings. To this end, we conduct extensive empirical studies on practical neural networks, demonstrating the effectiveness of square loss in both synthetic low-dimensional …
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Column Generation (CG) is an iterative algorithm for solving linear programs (LPs) with an extremely large number of variables (columns). CG is the workhorse for tackling large-scale integer linear programs, which rely on CG to solve LP relaxations within a branch and bound algorithm. Two canonical applications are the Cutting Stock Problem (CSP) and Vehicle Routing Problem with Time Windows (VRPTW). In VRPTW, for example, each binary variable represents the decision to include or exclude a route, of which there are exponentially many; CG incrementally grows the subset of columns being used, ultimately converging to an optimal solution. We propose RLCG, the first Reinforcement Learning (RL) approach for CG. Unlike typical column selection rules which myopically select a column based on local information at each iteration, we treat CG as a sequential decision-making problem, as the column selected in an iteration affects subsequent iterations of the algorithm. This perspective lends itself to a Deep Reinforcement Learning approach that uses Graph Neural Networks (GNNs) to represent the variable-constraint structure in the LP of interest. We perform an extensive set of experiments using the publicly available BPPLIB benchmark for CSP and Solomon benchmark for VRPTW. RLCG converges faster and reduces the number …
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Language model (LM) pre-training is useful in many language processing tasks. But can pre-trained LMs be further leveraged for more general machine learning problems? We propose an approach for using LMs to scaffold learning and generalization in general sequential decision-making problems. In this approach, goals and observations are represented as a sequence of embeddings, and a policy network initialized with a pre-trained LM predicts the next action. We demonstrate that this framework enables effective combinatorial generalization across different environments and supervisory modalities. We begin by assuming access to a set of expert demonstrations, and show that initializing policies with LMs and fine-tuning them via behavior cloning improves task completion rates by 43.6% in the VirtualHome environment. Next, we integrate an active data gathering procedure in which agents iteratively interact with the environment, relabel past "failed" experiences with new goals, and update their policies in a self-supervised loop. Active data gathering further improves combinatorial generalization, outperforming the best baseline by 25.1%. Finally, we explain these results by investigating three possible factors underlying the effectiveness of the LM-based policy. We find that sequential input representations (vs. fixed-dimensional feature vectors) and LM-based weight initialization are both important for generalization. Surprisingly, however, the format …
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Predictive distributions quantify uncertainties ignored by point estimates. This paper introduces The Neural Testbed: an open source benchmark for controlled and principled evaluation of agents that generate such predictions. Crucially, the testbed assesses agents not only on the quality of their marginal predictions per input, but also on their joint predictions across many inputs. We evaluate a range of agents using a simple neural network data generating process.Our results indicate that some popular Bayesian deep learning agents do not fare well with joint predictions, even when they can produce accurate marginal predictions. We also show that the quality of joint predictions drives performance in downstream decision tasks. We find these results are robust across choice a wide range of generative models, and highlight the practical importance of joint predictions to the community.
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Inspired from human cognition, machine learning systems are gradually revealing advantages of sparser and more modular architectures. Recent work demonstrates that not only do some modular architectures generalize well, but they also lead to better out of distribution generalization, scaling properties, learning speed, and interpretability. A key intuition behind the success of such systems is that the data generating system for most real-world settings is considered to consist of sparse modular connections, and endowing models with similar inductive biases will be helpful. However, the field has been lacking in a rigorous quantitative assessment of such systems because these real-world data distributions are complex and unknown. In this work, we provide a thorough assessment of common modular architectures, through the lens of simple and known modular data distributions. We highlight the benefits of modularity and sparsity and reveal insights on the challenges faced while optimizing modular systems. In doing so, we propose evaluation metrics that highlight the benefits of modularity, the regimes in which these benefits are substantial, as well as the sub-optimality of current end-to-end learned modular systems as opposed to their claimed potential.
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A central question in computational neuroscience is how structure determines function in neural networks. Recent large-scale connectomic studies have started to provide a wealth of structural information such as the distribution of excitatory/inhibitory cell and synapse types as well as the distribution of synaptic weights in the brains of different species. The emerging high-quality large structural datasets raise the question of what general functional principles can be gleaned from them. Motivated by this question, we developed a statistical mechanical theory of learning in neural networks that incorporates structural information as constraints. We derived an analytical solution for the memory capacity of the perceptron, a basic feedforward model of supervised learning, with constraint on the distribution of its weights. Interestingly, the theory predicts that the reduction in capacity due to the constrained weight-distribution is related to the Wasserstein distance between the cumulative distribution function of the constrained weights and that of the standard normal distribution. To test the theoretical predictions, we use optimal transport theory and information geometry to develop an SGD-based algorithm to find weights that simultaneously learn the input-output task and satisfy the distribution constraint. We show that training in our algorithm can be interpreted as geodesic flows in …
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In this paper, we tackle the Bayesian estimation of point process intensity as a function of covariates. We propose a novel augmentation of permanental process called augmented permanental process, a doubly-stochastic point process that uses a Gaussian process on covariate space to describe the Bayesian a priori uncertainty present in the square root of intensity, and derive a fast Bayesian estimation algorithm that scales linearly with data size without relying on either domain discretization or Markov Chain Monte Carlo computation. The proposed algorithm is based on a non-trivial finding that the representer theorem, one of the most desirable mathematical property for machine learning problems, holds for the augmented permanental process, which provides us with many significant computational advantages. We evaluate our algorithm on synthetic and real-world data, and show that it outperforms state-of-the-art methods in terms of predictive accuracy while being substantially faster than a conventional Bayesian method.
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Sampling from complex target distributions is a challenging task fundamental to Bayesian inference. Parallel tempering (PT) addresses this problem by constructing a Markov chain on the expanded state space of a sequence of distributions interpolating between the posterior distribution and a fixed reference distribution, which is typically chosen to be the prior. However, in the typical case where the prior and posterior are nearly mutually singular, PT methods are computationally prohibitive. In this work we address this challenge by constructing a generalized annealing path connecting the posterior to an adaptively tuned variational reference. The reference distribution is tuned to minimize the forward (inclusive) KL divergence to the posterior distribution using a simple, gradient-free moment-matching procedure. We show that our adaptive procedure converges to the forward KL minimizer, and that the forward KL divergence serves as a good proxy to a previously developed measure of PT performance. We also show that in the large-data limit in typical Bayesian models, the proposed method improves in performance, while traditional PT deteriorates arbitrarily. Finally, we introduce PT with two references---one fixed, one variational---with a novel split annealing path that ensures stable variational reference adaptation. The paper concludes with experiments that demonstrate the large empirical …
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Variational autoencoders (VAEs) are a popular framework for modeling complex data distributions; they can be efficiently trained via variational inference by maximizing the evidence lower bound (ELBO), at the expense of a gap to the exact (log-)marginal likelihood. While VAEs are commonly used for representation learning, it is unclear why ELBO maximization would yield useful representations, since unregularized maximum likelihood estimation cannot invert the data-generating process. Yet, VAEs often succeed at this task. We seek to elucidate this apparent paradox by studying nonlinear VAEs in the limit of near-deterministic decoders. We first prove that, in this regime, the optimal encoder approximately inverts the decoder---a commonly used but unproven conjecture---which we refer to as self-consistency. Leveraging self-consistency, we show that the ELBO converges to a regularized log-likelihood. This allows VAEs to perform what has recently been termed independent mechanism analysis (IMA): it adds an inductive bias towards decoders with column-orthogonal Jacobians, which helps recovering the true latent factors. The gap between ELBO and log-likelihood is therefore welcome, since it bears unanticipated benefits for nonlinear representation learning. In experiments on synthetic and image data, we show that VAEs uncover the true latent factors when the data generating process satisfies the IMA assumption.
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Learning stable dynamics from observed time-series data is an essential problem in robotics, physical modeling, and systems biology. Many of these dynamics are represented as an inputs-output system to communicate with the external environment. In this study, we focus on input-output stable systems, exhibiting robustness against unexpected stimuli and noise. We propose a method to learn nonlinear systems guaranteeing the input-output stability. Our proposed method utilizes the differentiable projection onto the space satisfying the Hamilton-Jacobi inequality to realize the input-output stability. The problem of finding this projection can be formulated as a quadratic constraint quadratic programming problem, and we derive the particular solution analytically. Also, we apply our method to a toy bistable model and the task of training a benchmark generated from a glucose-insulin simulator. The results show that the nonlinear system with neural networks by our method achieves the input-output stability, unlike naive neural networks. Our code is available at https://github.com/clinfo/DeepIOStability .
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Modern approaches for simulation-based inference build upon deep learning surrogates to enable approximate Bayesian inference with computer simulators. In practice, the estimated posteriors' computational faithfulness is, however, rarely guaranteed. For example, Hermans et al., 2021 have shown that current simulation-based inference algorithms can produce posteriors that are overconfident, hence risking false inferences. In this work, we introduce Balanced Neural Ratio Estimation (BNRE), a variation of the NRE algorithm designed to produce posterior approximations that tend to be more conservative, hence improving their reliability, while sharing the same Bayes optimal solution. We achieve this by enforcing a balancing condition that increases the quantified uncertainty in low simulation budget regimes while still converging to the exact posterior as the budget increases. We provide theoretical arguments showing that BNRE tends to produce posterior surrogates that are more conservative than NRE's. We evaluate BNRE on a wide variety of tasks and show that it produces conservative posterior surrogates on all tested benchmarks and simulation budgets. Finally, we emphasize that BNRE is straightforward to implement over NRE and does not introduce any computational overhead.
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We consider a structured multi-label prediction problem where the labels are organized under implication and mutual exclusion constraints. A major concern is to produce predictions that are logically consistent with these constraints. To do so, we formulate this problem as an embedding inference problem where the constraints are imposed onto the embeddings of labels by geometric construction. Particularly, we consider a hyperbolic Poincaré ball model in which we encode labels as Poincaré hyperplanes that work as linear decision boundaries. The hyperplanes are interpreted as convex regions such that the logical relationships (implication and exclusion) are geometrically encoded using the insideness and disjointedness of these regions, respectively. We show theoretical groundings of the method for preserving logical relationships in the embedding space. Extensive experiments on 12 datasets show 1) significant improvements in mean average precision; 2) lower number of constraint violations; 3) an order of magnitude fewer dimensions than baselines.
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We empirically demonstrate numerical instabilities in training standard deep networks with SGD. Specifically, we show numerical error (on the order of the smallest floating point bit) induced from floating point arithmetic in training deep nets can be amplified significantly and result in significant test accuracy variance, comparable to the test accuracy variance due to stochasticity in SGD. We show how this is likely traced to instabilities of the optimization dynamics that are localized over iterations and regions of the weight tensor space. We do this by presenting a theoretical framework using numerical analysis of partial differential equations (PDE), and analyzing the gradient descent PDE of a one-layer convolutional neural network, which is sufficient to illustrate these instabilities. We show that it is stable only under certain conditions on the learning rate and weight decay. We reproduce the localized instabilities in the PDE for the one-layer network, which arise when the conditions are violated.
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Current work in object-centric learning has been motivated by developing learning algorithms that infer independent and symmetric entities from the perceptual input. This often requires the use iterative refinement procedures that break symmetries among equally plausible explanations for the data, but most prior works differentiate through the unrolled refinement process, which can make optimization exceptionally challenging. In this work, we observe that such iterative refinement methods can be made differentiable by means of the implicit function theorem, and develop an implicit differentiation approach that improves the stability and tractability of training such models by decoupling the forward and backward passes. This connection enables us to apply recent advances in optimizing implicit layers to not only improve the stability and optimization of the slot attention module in SLATE, a state-of-the-art method for learning entity representations, but do so with constant space and time complexity in backpropagation and only one additional line of code.
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Historically, conditional random fields (CRFs) were popular tools in a variety of application areas from computer vision to natural language processing, but due to their higher computational cost and weaker practical performance, they have, in many situations, fallen out of favor and been replaced by end-to-end deep neural network (DNN) solutions. More recently, combined DNN-CRF approaches have been considered, but their speed and practical performance still falls short of the best performing pure DNN solutions. In this work, we present a generic combined approach in which a log-supermodular CRF acts as a regularizer to encourage similarity between outputs in a structured prediction task. We show that this combined approach is widely applicable, practical (it incurs only a moderate overhead on top of the base DNN solution) and, in some cases, it can rival carefully engineered pure DNN solutions for the same structured prediction task.
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"Bayesian Optimization is a very effective tool for optimizing expensive black-box functions. Inspired by applications developing and characterizing reaction chemistry using droplet microfluidic reactors, we consider a novel setting where the expense of evaluating the function can increase significantly when making large input changes between iterations. We further assume we are working asynchronously, meaning we have to decide on new queries before we finish evaluating previous experiments. This paper investigates the problem and introduces 'Sequential Bayesian Optimization via Adaptive Connecting Samples' (SnAKe), which provides a solution by considering large batches of queries and preemptively building optimization paths that minimize input costs. We investigate some convergence properties and empirically show that the algorithm is able to achieve regret similar to classical Bayesian Optimization algorithms in both the synchronous and asynchronous settings, while reducing the input costs significantly. We show the method is robust to the choice of its single hyper-parameter and provide a parameter-free alternative."
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We study the excess capacity of deep networks in the context of supervised classification. That is, given a capacity measure of the underlying hypothesis class - in our case, empirical Rademacher complexity - to what extent can we (a priori) constrain this class while retaining an empirical error on a par with the unconstrained regime? To assess excess capacity in modern architectures (such as residual networks), we extend and unify prior Rademacher complexity bounds to accommodate function composition and addition, as well as the structure of convolutions. The capacity-driving terms in our bounds are the Lipschitz constants of the layers and a (2,1) group norm distance to the initializations of the convolution weights. Experiments on benchmark datasets of varying task difficulty indicate that (1) there is a substantial amount of excess capacity per task, and (2) capacity can be kept at a surprisingly similar level across tasks. Overall, this suggests a notion of compressibility with respect to weight norms, complementary to classic compression via weight pruning. Source code is available at https://github.com/rkwitt/excess_capacity.
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The goal of robust reinforcement learning (RL) is to learn a policy that is robust against the uncertainty in model parameters. Parameter uncertainty commonly occurs in many real-world RL applications due to simulator modeling errors, changes in the real-world system dynamics over time, and adversarial disturbances. Robust RL is typically formulated as a max-min problem, where the objective is to learn the policy that maximizes the value against the worst possible models that lie in an uncertainty set. In this work, we propose a robust RL algorithm called Robust Fitted Q-Iteration (RFQI), which uses only an offline dataset to learn the optimal robust policy. Robust RL with offline data is significantly more challenging than its non-robust counterpart because of the minimization over all models present in the robust Bellman operator. This poses challenges in offline data collection, optimization over the models, and unbiased estimation. In this work, we propose a systematic approach to overcome these challenges, resulting in our RFQI algorithm. We prove that RFQI learns a near-optimal robust policy under standard assumptions and demonstrate its superior performance on standard benchmark problems.
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Network models for exchangeable arrays, including most stochastic block models, generate dense graphs with a limited ability to capture many characteristics of real-world social and biological networks. A class of models based on completely random measures like the generalized gamma process (GGP) have recently addressed some of these limitations. We propose a framework for thinning edges from realizations of GGP random graphs that models observed links via nodes' overall propensity to interact, as well as the similarity of node memberships within a large set of latent communities. Our formulation allows us to learn the number of communities from data, and enables efficient Monte Carlo methods that scale linearly with the number of observed edges, and thus (unlike dense block models) sub-quadratically with the number of entities or nodes. We compare to alternative models for both dense and sparse networks, and demonstrate effective recovery of latent community structure for real-world networks with thousands of nodes.
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Designing reinforcement learning (RL) agents is typically a difficult process that requires numerous design iterations. Learning can fail for a multitude of reasons and standard RL methods provide too few tools to provide insight into the exact cause. In this paper, we show how to integrate \textit{value decomposition} into a broad class of actor-critic algorithms and use it to assist in the iterative agent-design process. Value decomposition separates a reward function into distinct components and learns value estimates for each. These value estimates provide insight into an agent's learning and decision-making process and enable new training methods to mitigate common problems. As a demonstration, we introduce SAC-D, a variant of soft actor-critic (SAC) adapted for value decomposition. SAC-D maintains similar performance to SAC, while learning a larger set of value predictions. We also introduce decomposition-based tools that exploit this information, including a new reward \textit{influence} metric, which measures each reward component's effect on agent decision-making. Using these tools, we provide several demonstrations of decomposition's use in identifying and addressing problems in the design of both environments and agents. Value decomposition is broadly applicable and easy to incorporate into existing algorithms and workflows, making it a powerful tool in an RL …
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Machine learning models trained on private datasets have been shown to leak their private data. Recent work has found that the average data point is rarely leaked---it is often the outlier samples that are subject to memorization and, consequently, leakage. We demonstrate and analyze an Onion Effect of memorization: removing the "layer" of outlier points that are most vulnerable to a privacy attack exposes a new layer of previously-safe points to the same attack. We perform several experiments that are consistent with this hypothesis. For example, we show that for membership inference attacks, when the layer of easiest-to-attack examples is removed, another layer below becomes easy-to-attack. The existence of this effect has various consequences. For example, it suggests that proposals to defend against memorization without training with rigorous privacy guarantees are unlikely to be effective. Further, it suggests that privacy-enhancing technologies such as machine unlearning could actually harm the privacy of other users.
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A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of randomly initialized Graph Neural Networks (GNNs). We propose using representations from constrastively trained GNNs, rather than random GNNs, and show this gives more reliable evaluation metrics. Neither traditional approaches nor GNN-based approaches dominate the other, however: we give examples of graphs that each approach is unable to distinguish. We demonstrate that Graph Substructure Networks (GSNs), which in a way combine both approaches, are better at distinguishing the distances between graph datasets.
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Learning high-level causal representations together with a causal model from unstructured low-level data such as pixels is impossible from observational data alone. We prove under mild assumptions that this representation is however identifiable in a weakly supervised setting. This involves a dataset with paired samples before and after random, unknown interventions, but no further labels. We then introduce implicit latent causal models, variational autoencoders that represent causal variables and causal structure without having to optimize an explicit discrete graph structure. On simple image data, including a novel dataset of simulated robotic manipulation, we demonstrate that such models can reliably identify the causal structure and disentangle causal variables.
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We consider the problem of training a neural network to store a set of patterns with maximal noise robustness. A solution, in terms of optimal weights and state update rules, is derived by training each individual neuron to perform either kernel classification or interpolation with a minimum weight norm. By applying this method to feed-forward and recurrent networks, we derive optimal models, termed kernel memory networks, that include, as special cases, many of the hetero- and auto-associative memory models that have been proposed over the past years, such as modern Hopfield networks and Kanerva's sparse distributed memory. We modify Kanerva's model and demonstrate a simple way to design a kernel memory network that can store an exponential number of continuous-valued patterns with a finite basin of attraction. The framework of kernel memory networks offers a simple and intuitive way to understand the storage capacity of previous memory models, and allows for new biological interpretations in terms of dendritic non-linearities and synaptic cross-talk.
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Score-based generative models (SGMs) synthesize new data samples from Gaussian white noise by running a time-reversed Stochastic Differential Equation (SDE) whose drift coefficient depends on some probabilistic score. The discretization of such SDEs typically requires a large number of time steps and hence a high computational cost. This is because of ill-conditioning properties of the score that we analyze mathematically. Previous approaches have relied on multiscale generation to considerably accelerate SGMs. We explain how this acceleration results from an implicit factorization of the data distribution into a product of conditional probabilities of wavelet coefficients across scales. The resulting Wavelet Score-based Generative Model (WSGM) synthesizes wavelet coefficients with the same number of time steps at all scales, and its time complexity therefore grows linearly with the image size. This is proved mathematically for Gaussian distributions, and shown numerically for physical processes at phase transition and natural image datasets.
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The key to Black-Box Optimization is to efficiently search through input regions with potentially widely-varying numerical properties, to achieve low-regret descent and fast progress toward the optima. Monte Carlo Tree Search (MCTS) methods have recently been introduced to improve Bayesian optimization by computing better partitioning of the search space that balances exploration and exploitation. Extending this promising framework, we study how to further integrate sample-based descent for faster optimization. We design novel ways of expanding Monte Carlo search trees, with new descent methods at vertices that incorporate stochastic search and Gaussian Processes. We propose the corresponding rules for balancing progress and uncertainty, branch selection, tree expansion, and backpropagation. The designed search process puts more emphasis on sampling for faster descent and uses localized Gaussian Processes as auxiliary metrics for both exploitation and exploration. We show empirically that the proposed algorithms can outperform state-of-the-art methods on many challenging benchmark problems.
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In this paper, we study a sequential decision-making problem, called Adaptive Sampling for Discovery (ASD). Starting with a large unlabeled dataset, algorithms for ASD adaptively label the points with the goal to maximize the sum of responses.This problem has wide applications to real-world discovery problems, for example drug discovery with the help of machine learning models. ASD algorithms face the well-known exploration-exploitation dilemma. The algorithm needs to choose points that yield information to improve model estimates but it also needs to exploit the model. We rigorously formulate the problem and propose a general information-directed sampling (IDS) algorithm. We provide theoretical guarantees for the performance of IDS in linear, graph and low-rank models. The benefits of IDS are shown in both simulation experiments and real-data experiments for discovering chemical reaction conditions.
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High model performance, on average, can hide that models may systematically underperform on subgroups of the data. We consider the tabular setting, which surfaces the unique issue of outcome heterogeneity - this is prevalent in areas such as healthcare, where patients with similar features can have different outcomes, thus making reliable predictions challenging. To tackle this, we propose Data-IQ, a framework to systematically stratify examples into subgroups with respect to their outcomes. We do this by analyzing the behavior of individual examples during training, based on their predictive confidence and, importantly, the aleatoric (data) uncertainty. Capturing the aleatoric uncertainty permits a principled characterization and then subsequent stratification of data examples into three distinct subgroups (Easy, Ambiguous, Hard). We experimentally demonstrate the benefits of Data-IQ on four real-world medical datasets. We show that Data-IQ's characterization of examples is most robust to variation across similarly performant (yet different models), compared to baselines. Since Data-IQ can be used with any ML model (including neural networks, gradient boosting etc.), this property ensures consistency of data characterization, while allowing flexible model selection. Taking this a step further, we demonstrate that the subgroups enable us to construct new approaches to both feature acquisition and dataset selection. …
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Each year, expert-level performance is attained in increasingly-complex multiagent domains, where notable examples include Go, Poker, and StarCraft II. This rapid progression is accompanied by a commensurate need to better understand how such agents attain this performance, to enable their safe deployment, identify limitations, and reveal potential means of improving them. In this paper we take a step back from performance-focused multiagent learning, and instead turn our attention towards agent behavior analysis. We introduce a model-agnostic method for discovery of behavior clusters in multiagent domains, using variational inference to learn a hierarchy of behaviors at the joint and local agent levels. Our framework makes no assumption about agents' underlying learning algorithms, does not require access to their latent states or policies, and is trained using only offline observational data. We illustrate the effectiveness of our method for enabling the coupled understanding of behaviors at the joint and local agent level, detection of behavior changepoints throughout training, discovery of core behavioral concepts, demonstrate the approach's scalability to a high-dimensional multiagent MuJoCo control domain, and also illustrate that the approach can disentangle previously-trained policies in OpenAI's hide-and-seek domain.
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Intelligent agents need to select long sequences of actions to solve complex tasks. While humans easily break down tasks into subgoals and reach them through millions of muscle commands, current artificial intelligence is limited to tasks with horizons of a few hundred decisions, despite large compute budgets. Research on hierarchical reinforcement learning aims to overcome this limitation but has proven to be challenging, current methods rely on manually specified goal spaces or subtasks, and no general solution exists. We introduce Director, a practical method for learning hierarchical behaviors directly from pixels by planning inside the latent space of a learned world model. The high-level policy maximizes task and exploration rewards by selecting latent goals and the low-level policy learns to achieve the goals. Despite operating in latent space, the decisions are interpretable because the world model can decode goals into images for visualization. Director learns successful behaviors across a wide range of environments, including visual control, Atari games, and DMLab levels and outperforms exploration methods on tasks with very sparse rewards, including 3D maze traversal with a quadruped robot from an egocentric camera and proprioception, without access to the global position or top-down view used by prior work.
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We introduce a framework for navigating through cluttered environments by connecting multiple cameras together while simultanously preserving privacy. Occlusions and obstacles in large environments are often challenging situations for navigation agents because the environment is not fully observable from a single camera view. Given multiple camera views of an environment, our approach learns to produce a multiview scene representation that can only be used for navigation, provably preventing one party from inferring anything beyond the output task. On a new navigation dataset that we will publicly release, experiments show that private multiparty representations allow navigation through complex scenes and around obstacles while jointly preserving privacy. Our approach scales to an arbitrary number of camera viewpoints. We believe developing visual representations that preserve privacy is increasingly important for many applications such as navigation.
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Can we use spiking neural networks (SNN) as generative models of multi-neuronal recordings, while taking into account that most neurons are unobserved? Modeling the unobserved neurons with large pools of hidden spiking neurons leads to severely underconstrained problems that are hard to tackle with maximum likelihood estimation. In this work, we use coarse-graining and mean-field approximations to derive a bottom-up, neuronally-grounded latent variable model (neuLVM), where the activity of the unobserved neurons is reduced to a low-dimensional mesoscopic description. In contrast to previous latent variable models, neuLVM can be explicitly mapped to a recurrent, multi-population SNN, giving it a transparent biological interpretation. We show, on synthetic spike trains, that a few observed neurons are sufficient for neuLVM to perform efficient model inversion of large SNNs, in the sense that it can recover connectivity parameters, infer single-trial latent population activity, reproduce ongoing metastable dynamics, and generalize when subjected to perturbations mimicking optogenetic stimulation.
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Several deep neural networks have recently been shown to generate activations similar to those of the brain in response to the same input. These algorithms, however, remain largely implausible: they require (1) extraordinarily large amounts of data, (2) unobtainable supervised labels, (3) textual rather than raw sensory input, and / or (4) implausibly large memory (e.g. thousands of contextual words). These elements highlight the need to identify algorithms that, under these limitations, would suffice to account for both behavioral and brain responses. Focusing on speech processing, we here hypothesize that self-supervised algorithms trained on the raw waveform constitute a promising candidate. Specifically, we compare a recent self-supervised model, wav2vec 2.0, to the brain activity of 412 English, French, and Mandarin individuals recorded with functional Magnetic Resonance Imaging (fMRI), while they listened to approximately one hour of audio books. First, we show that this algorithm learns brain-like representations with as little as 600 hours of unlabelled speech -- a quantity comparable to what infants can be exposed to during language acquisition. Second, its functional hierarchy aligns with the cortical hierarchy of speech processing. Third, different training regimes reveal a functional specialization akin to the cortex: wav2vec 2.0 learns sound-generic, speech-specific and …
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The many successes of deep neural networks (DNNs) over the past decade have largely been driven by computational scale rather than insights from biological intelligence. Here, we explore if these trends have also carried concomitant improvements in explaining the visual strategies humans rely on for object recognition. We do this by comparing two related but distinct properties of visual strategies in humans and DNNs: where they believe important visual features are in images and how they use those features to categorize objects. Across 84 different DNNs trained on ImageNet and three independent datasets measuring the where and the how of human visual strategies for object recognition on those images, we find a systematic trade-off between DNN categorization accuracy and alignment with human visual strategies for object recognition. \textit{State-of-the-art DNNs are progressively becoming less aligned with humans as their accuracy improves}. We rectify this growing issue with our neural harmonizer: a general-purpose training routine that both aligns DNN and human visual strategies and improves categorization accuracy. Our work represents the first demonstration that the scaling laws that are guiding the design of DNNs today have also produced worse models of human vision. We release our code and data at https://serre-lab.github.io/Harmonization to …
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Standard deep neural networks often have excess non-linearity, making them susceptible to issues such as low adversarial robustness and gradient instability. Common methods to address these downstream issues, such as adversarial training, are expensive and often sacrifice predictive accuracy. In this work, we address the core issue of excess non-linearity via curvature, and demonstrate low-curvature neural networks (LCNNs) that obtain drastically lower curvature than standard models while exhibiting similar predictive performance. This leads to improved robustness and stable gradients, at a fraction of the cost of standard adversarial training. To achieve this, we decompose overall model curvature in terms of curvatures and slopes of its constituent layers. To enable efficient curvature minimization of constituent layers, we introduce two novel architectural components: first, a non-linearity called centered-softplus that is a stable variant of the softplus non-linearity, and second, a Lipschitz-constrained batch normalization layer.Our experiments show that LCNNs have lower curvature, more stable gradients and increased off-the-shelf adversarial robustness when compared to standard neural networks, all without affecting predictive performance. Our approach is easy to use and can be readily incorporated into existing neural network architectures.
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Sufficient dimension reduction is a powerful tool to extract core information hidden in the high-dimensional data and has potentially many important applications in machine learning tasks. However, the existing nonlinear sufficient dimension reduction methods often lack the scalability necessary for dealing with large-scale data. We propose a new type of stochastic neural network under a rigorous probabilistic framework and show that it can be used for sufficient dimension reduction for large-scale data. The proposed stochastic neural network is trained using an adaptive stochastic gradient Markov chain Monte Carlo algorithm, whose convergence is rigorously studied in the paper as well. Through extensive experiments on real-world classification and regression problems, we show that the proposed method compares favorably with the existing state-of-the-art sufficient dimension reduction methods and is computationally more efficient for large-scale data.
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In this paper, we study a novel approach for data-driven decision-making under uncertainty in the presence of contextual information. Specifically, we solve this problem from a Conditional Robust Optimization (CRO) point of view. We propose an integrated framework that designs the conditional uncertainty set by jointly learning the partitions in the covariate data space and simultaneously constructing partition specific deep uncertainty sets for the random vector that perturbs the CRO problem. We also provide theoretical guarantees for the coverage of the uncertainty sets and value at risk performances obtained using the proposed CRO approach. Finally, we use the simulated and real world data to show the implementation of our approach and compare it against two non-contextual benchmark approaches to demonstrate the value of exploiting contextual information in robust optimization.
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In adversarial team games, a team of players sequentially faces a team of adversaries. These games are the simplest setting with multiple players where cooperation and competition coexist, and it is known that the information asymmetry among the team members makes equilibrium approximation computationally hard. Although much effort has been spent designing scalable algorithms, the problem of solving large game instances is open. In this paper, we extend the successful approach of solving huge two-player zero-sum games, where a blueprint strategy is computed offline by using an abstract version of the game and then it is refined online, that is, during a playthrough. In particular, to the best of our knowledge, our paper provides the first method for online strategy refinement via subgame solving in adversarial team games. Our method, based on the team belief DAG, generates a gadget game and then refine the blueprint strategy by using column-generation approaches in anytime fashion. If the blueprint is sparse, then our whole algorithm runs end-to-end in polynomial time given a best-response oracle; in particular, it avoids expanding the whole team belief DAG, which has exponential worst-case size. We apply our method to a standard test suite, and we empirically show …
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Consider the task of learning an unknown concept from a given concept class; to what extent does interacting with a domain expert accelerate the learning process? It is common to measure the effectiveness of learning algorithms by plotting the "learning curve", that is, the decay of the error rate as a function of the algorithm's resources (examples, queries, etc). Thus, the overarching question in this work is whether (and which kind of) interaction accelerates the learning curve. Previous work in interactive learning focused on uniform bounds on the learning rates which only capture the upper envelope of the learning curves over families of data distributions. We thus formalize our overarching question within the distribution dependent framework of universal learning, which aims to understand the performance of learning algorithms on every data distribution, but without requiring a single upper bound which applies uniformly to all distributions. Our main result reveals a fundamental trichotomy of interactive learning rates, thus providing a complete characterization of universal interactive learning. As a corollary we deduce a strong affirmative answer to our overarching question, showing that interaction is beneficial. Remarkably, we show that in important cases such benefits are realized with label queries, that is, by …
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Normalization layers (e.g., Batch Normalization, Layer Normalization) were introduced to help with optimization difficulties in very deep nets, but they clearly also help generalization, even in not-so-deep nets. Motivated by the long-held belief that flatter minima lead to better generalization, this paper gives mathematical analysis and supporting experiments suggesting that normalization (together with accompanying weight-decay) encourages GD to reduce the sharpness of loss surface. Here ``sharpness'' is carefully defined given that the loss is scale-invariant, a known consequence of normalization. Specifically, for a fairly broad class of neural nets with normalization, our theory explains how GD with a finite learning rate enters the so-called Edge of Stability (EoS) regime, and characterizes the trajectory of GD in this regime via a continuous sharpness-reduction flow.
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Learning from label proportions (LLP) is a weakly supervised classification problem where data points are grouped into bags, and the label proportions within each bag are observed instead of the instance-level labels. The task is to learn a classifier to predict the labels of future individual instances. Prior work on LLP for multi-class data has yet to develop a theoretically grounded algorithm. In this work, we propose an approach to LLP based on a reduction to learning with label noise, using the forward correction (FC) loss of \textcite{Patrini2017MakingDN}. We establish an excess risk bound and generalization error analysis for our approach, while also extending the theory of the FC loss which may be of independent interest. Our approach demonstrates improved empirical performance in deep learning scenarios across multiple datasets and architectures, compared to the leading methods.
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[ Hall J ]

Phylogenetics is a classical methodology in computational biology that today has become highly relevant for medical investigation of single-cell data, e.g., in the context of development of cancer. The exponential size of the tree space is unfortunately a formidable obstacle for current Bayesian phylogenetic inference using Markov chain Monte Carlo based methods since these rely on local operations. And although more recent variational inference (VI) based methods offer speed improvements, they rely on expensive auto-differentiation operations for learning the variational parameters. We propose VaiPhy, a remarkably fast VI based algorithm for approximate posterior inference in an \textit{augmented tree space}. VaiPhy produces marginal log-likelihood estimates on par with the state-of-the-art methods on real data, and is considerably faster since it does not require auto-differentiation. Instead, VaiPhy combines coordinate ascent update equations with two novel sampling schemes: (i) \textit{SLANTIS}, a proposal distribution for tree topologies in the augmented tree space, and (ii) the \textit{JC sampler}, the, to the best of our knowledge, first ever scheme for sampling branch lengths directly from the popular Jukes-Cantor model. We compare VaiPhy in terms of density estimation and runtime. Additionally, we evaluate the reproducibility of the baselines. We provide our code on GitHub: \url{https://github.com/Lagergren-Lab/VaiPhy}.
[ Hall J ]
[ Hall J ]

[ Hall J ]

Recent studies have shown that deep learning models such as RNNs and Transformers have brought significant performance gains for long-term forecasting of time series because they effectively utilize historical information. We found, however, that there is still great room for improvement in how to preserve historical information in neural networks while avoiding overfitting to noise present in the history. Addressing this allows better utilization of the capabilities of deep learning models. To this end, we design a Frequency improved Legendre Memory model, or FiLM: it applies Legendre polynomial projections to approximate historical information, uses Fourier projection to remove noise, and adds a low-rank approximation to speed up computation. Our empirical studies show that the proposed FiLM significantly improves the accuracy of state-of-the-art models in multivariate and univariate long-term forecasting by (19.2%, 22.6%), respectively. We also demonstrate that the representation module developed in this work can be used as a general plugin to improve the long-term prediction performance of other deep learning modules. Code is available at https://github.com/tianzhou2011/FiLM/.
[ Hall J ]

The Transformer architecture is ubiquitously used as the building block of largescale autoregressive language models. However, finding architectures with the optimal trade-off between task performance (perplexity) and hardware constraints like peak memory utilization and latency is non-trivial. This is exacerbated by the proliferation of various hardware. We leverage the somewhat surprising empirical observation that the number of decoder parameters in autoregressive Transformers has a high rank correlation with task performance, irrespective of the architecture topology. This observation organically induces a simple Neural Architecture Search (NAS) algorithm that uses decoder parameters as a proxy for perplexity without need for any model training. The search phase of our training-free algorithm, dubbed Lightweight Transformer Search (LTS), can be run directly on target devices since it does not require GPUs. Using on-target device measurements, LTS extracts the Pareto-frontier of perplexity versus any hardware performance cost. We evaluate LTS on diverse devices from ARM CPUs to NVIDIA GPUs and two popular autoregressive Transformer backbones: GPT-2 and Transformer-XL. Results show that the perplexity of 16-layer GPT-2 and Transformer-XL can be achieved with up to 1.5×, 2.5× faster runtime and 1.2×, 2.0× lower peak memory utilization. When evaluated in zero and one-shot settings, LTS Pareto-frontier models achieve …
[ Hall J ]

[ Hall J ]

Point clouds of 3D objects exhibit an inherent compositional nature where simple parts can be assembled into progressively more complex shapes to form whole objects. Explicitly capturing such part-whole hierarchy is a long-sought objective in order to build effective models, but its tree-like nature has made the task elusive. In this paper, we propose to embed the features of a point cloud classifier into the hyperbolic space and explicitly regularize the space to account for the part-whole hierarchy. The hyperbolic space is the only space that can successfully embed the tree-like nature of the hierarchy. This leads to substantial improvements in the performance of state-of-art supervised models for point cloud classification.
[ Hall J ]

The introduction of high-quality image generation models, particularly the StyleGAN family, provides a powerful tool to synthesize and manipulate images. However, existing models are built upon high-quality (HQ) data as desired outputs, making them unfit for in-the-wild low-quality (LQ) images, which are common inputs for manipulation. In this work, we bridge this gap by proposing a novel GAN structure that allows for generating images with controllable quality. The network can synthesize various image degradation and restore the sharp image via a quality control code. Our proposed QC-StyleGAN can directly edit LQ images without altering their quality by applying GAN inversion and manipulation techniques. It also provides for free an image restoration solution that can handle various degradations, including noise, blur, compression artifacts, and their mixtures. Finally, we demonstrate numerous other applications such as image degradation synthesis, transfer, and interpolation.
[ Hall J ]

3D visual grounding task has been explored with visual and language streams to comprehend referential language for identifying targeted objects in 3D scenes.However, most existing methods devote the visual stream to capture the 3D visual clues using off-the-shelf point clouds encoders. The main question we address is “can we consolidate the 3D visual stream by 2D clues and efficiently utilize them in both training and testing phases?”. The main idea is to assist the 3D encoder by incorporating rich 2D object representations without requiring extra 2D inputs. To this end, we leverage 2D clues, synthetically generated from 3D point clouds, that empirically show their aptitude to boost the quality of the learned visual representations. We validate our approach through comprehensive experiments on Nr3D, Sr3D, and ScanRefer datasets. Our experiments show consistent performance gains against counterparts, where our proposed module, dubbed as LAR, significantly outperforms state-of-the-art 3D visual grounding techniques on three benchmarks.Our code will be made publicly available.
[ Hall J ]

Large-scale vision-language pre-training has shown impressive advances in a wide range of downstream tasks. Existing methods mainly model the cross-modal alignment by the similarity of the global representations of images and text, or advanced cross-modal attention upon image and text features. However, they fail to explicitly learn the fine-grained semantic alignment between visual regions and textual phrases, as only global image-text alignment information is available. In this paper, we introduce LOUPE, a fine-grained semantically aLigned visiOn-langUage PrE-training framework, which learns fine-grained semantic alignment from the novel perspective of game-theoretic interactions. To efficiently estimate the game-theoretic interactions, we further propose an uncertainty-aware neural Shapley interaction learning module. Experiments show that LOUPE achieves state-of-the-art performance on a variety of vision-language tasks. Without any object-level human annotations and fine-tuning, LOUPE achieves competitive performance on object detection and visual grounding. More importantly, LOUPE opens a new promising direction of learning fine-grained semantics from large-scale raw image-text pairs.
[ Hall J ]

Existing long-tailed recognition methods, aiming to train class-balanced models from long-tailed data, generally assume the models would be evaluated on the uniform test class distribution. However, practical test class distributions often violate this assumption (e.g., being either long-tailed or even inversely long-tailed), which may lead existing methods to fail in real applications. In this paper, we study a more practical yet challenging task, called test-agnostic long-tailed recognition, where the training class distribution is long-tailed while the test class distribution is agnostic and not necessarily uniform. In addition to the issue of class imbalance, this task poses another challenge: the class distribution shift between the training and test data is unknown. To tackle this task, we propose a novel approach, called Self-supervised Aggregation of Diverse Experts, which consists of two strategies: (i) a new skill-diverse expert learning strategy that trains multiple experts from a single and stationary long-tailed dataset to separately handle different class distributions; (ii) a novel test-time expert aggregation strategy that leverages self-supervision to aggregate the learned multiple experts for handling unknown test class distributions. We theoretically show that our self-supervised strategy has a provable ability to simulate test-agnostic class distributions. Promising empirical results demonstrate the effectiveness of our …
[ Hall J ]

[ Hall J ]

Data augmentation is key to improving the generalization ability of deep learning models. Mixup is a simple and widely-used data augmentation technique that has proven effective in alleviating the problems of overfitting and data scarcity. Also, recent studies of saliency-aware Mixup in the image domain show that preserving discriminative parts is beneficial to improving the generalization performance. However, these Mixup-based data augmentations are underexplored in 3D vision, especially in point clouds. In this paper, we propose SageMix, a saliency-guided Mixup for point clouds to preserve salient local structures. Specifically, we extract salient regions from two point clouds and smoothly combine them into one continuous shape. With a simple sequential sampling by re-weighted saliency scores, SageMix preserves the local structure of salient regions. Extensive experiments demonstrate that the proposed method consistently outperforms existing Mixup methods in various benchmark point cloud datasets. With PointNet++, our method achieves an accuracy gain of 2.6% and 4.0% over standard training in ModelNet40 and ScanObjectNN, respectively. In addition to generalization performance, SageMix improves robustness and uncertainty calibration. Moreover, when adopting our method to various tasks including part segmentation and standard image classification, our method achieves competitive performance. Code is available at https://github.com/mlvlab/SageMix.
[ Hall J ]

Recent self-supervised advances in medical computer vision exploit the global and local anatomical self-similarity for pretraining prior to downstream tasks such as segmentation. However, current methods assume i.i.d. image acquisition, which is invalid in clinical study designs where follow-up longitudinal scans track subject-specific temporal changes. Further, existing self-supervised methods for medically-relevant image-to-image architectures exploit only spatial or temporal self-similarity and do so via a loss applied only at a single image-scale, with naive multi-scale spatiotemporal extensions collapsing to degenerate solutions. To these ends, this paper makes two contributions: (1) It presents a local and multi-scale spatiotemporal representation learning method for image-to-image architectures trained on longitudinal images. It exploits the spatiotemporal self-similarity of learned multi-scale intra-subject image features for pretraining and develops several feature-wise regularizations that avoid degenerate representations; (2) During finetuning, it proposes a surprisingly simple self-supervised segmentation consistency regularization to exploit intra-subject correlation. Benchmarked across various segmentation tasks, the proposed framework outperforms both well-tuned randomly-initialized baselines and current self-supervised techniques designed for both i.i.d. and longitudinal datasets. These improvements are demonstrated across both longitudinal neurodegenerative adult MRI and developing infant brain MRI and yield both higher performance and longitudinal consistency.
[ Hall J ]

Emerging neural radiance fields (NeRF) are a promising scene representation for computer graphics, enabling high-quality 3D reconstruction and novel view synthesis from image observations.However, editing a scene represented by a NeRF is challenging, as the underlying connectionist representations such as MLPs or voxel grids are not object-centric or compositional.In particular, it has been difficult to selectively edit specific regions or objects.In this work, we tackle the problem of semantic scene decomposition of NeRFs to enable query-based local editing of the represented 3D scenes.We propose to distill the knowledge of off-the-shelf, self-supervised 2D image feature extractors such as CLIP-LSeg or DINO into a 3D feature field optimized in parallel to the radiance field.Given a user-specified query of various modalities such as text, an image patch, or a point-and-click selection, 3D feature fields semantically decompose 3D space without the need for re-training, and enables us to semantically select and edit regions in the radiance field.Our experiments validate that the distilled feature fields can transfer recent progress in 2D vision and language foundation models to 3D scene representations, enabling convincing 3D segmentation and selective editing of emerging neural graphics representations.
[ Hall J ]

Graph-level anomaly detection aims to distinguish anomalous graphs in a graph dataset from normal graphs. Anomalous graphs represent a very few but essential patterns in the real world. The anomalous property of a graph may be referable to its anomalous attributes of particular nodes and anomalous substructures that refer to a subset of nodes and edges in the graph. In addition, due to the imbalance nature of anomaly problem, anomalous information will be diluted by normal graphs with overwhelming quantities. Various anomaly notions in the attributes and/or substructures and the imbalance nature together make detecting anomalous graphs a non-trivial task. In this paper, we propose a graph neural network for graph-level anomaly detection, namely iGAD. Specifically, an anomalous graph attribute-aware graph convolution and an anomalous graph substructure-aware deep Random Walk Kernel (deep RWK) are welded into a graph neural network to achieve the dual-discriminative ability on anomalous attributes and substructures. Deep RWK in iGAD makes up for the deficiency of graph convolution in distinguishing structural information caused by the simple neighborhood aggregation mechanism. Further, we propose a Point Mutual Information (PMI)-based loss function to target the problems caused by imbalance distributions. PMI-based loss function enables iGAD to capture essential correlation …
[ Hall J ]

Aiming towards a holistic understanding of multiple downstream tasks simultaneously, there is a need for extracting features with better transferability. Though many latest self-supervised pre-training methods have achieved impressive performance on various vision tasks under the prevailing pretrain-finetune paradigm, their generalization capacity to multi-task learning scenarios is yet to be explored. In this paper, we extensively investigate the transfer performance of various types of self-supervised methods, e.g., MoCo and SimCLR, on three downstream tasks, including semantic segmentation, drivable area segmentation, and traffic object detection, on the large-scale driving dataset BDD100K. We surprisingly find that their performances are sub-optimal or even lag far behind the single-task baseline, which may be due to the distinctions of training objectives and architectural design lied in the pretrain-finetune paradigm. To overcome this dilemma as well as avoid redesigning the resource-intensive pre-training stage, we propose a simple yet effective pretrain-adapt-finetune paradigm for general multi-task training, where the off-the-shelf pretrained models can be effectively adapted without increasing the training overhead. During the adapt stage, we utilize learnable multi-scale adapters to dynamically adjust the pretrained model weights supervised by multi-task objectives while leaving the pretrained knowledge untouched. Furthermore, we regard the vision-language pre-training model CLIP as a strong …
[ Hall J ]

In this paper, we address monocular depth estimation with deep neural networks. To enable training of deep monocular estimation models with various sources of datasets, state-of-the-art methods adopt image-level normalization strategies to generate affine-invariant depth representations. However, learning with the image-level normalization mainly emphasizes the relations of pixel representations with the global statistic in the images, such as the structure of the scene, while the fine-grained depth difference may be overlooked. In this paper, we propose a novel multi-scale depth normalization method that hierarchically normalizes the depth representations based on spatial information and depth distributions. Compared with previous normalization strategies applied only at the holistic image level, the proposed hierarchical normalization can effectively preserve the fine-grained details and improve accuracy. We present two strategies that define the hierarchical normalization contexts in the depth domain and the spatial domain, respectively. Our extensive experiments show that the proposed normalization strategy remarkably outperforms previous normalization methods, and we set new state-of-the-art on five zero-shot transfer benchmark datasets.
[ Hall J ]

We present GLIPv2, a grounded VL understanding model, that serves both localization tasks (e.g., object detection, instance segmentation) and Vision-Language (VL) understanding tasks (e.g., VQA, image captioning). GLIPv2 elegantly unifies localization pre-training and Vision-Language Pre-training (VLP) with three pre-training tasks: phrase grounding as a VL reformulation of the detection task, region-word contrastive learning as a novel region-word level contrastive learning task, and the masked language modeling. This unification not only simplifies the previous multi-stage VLP procedure but also achieves mutual benefits between localization and understanding tasks. Experimental results show that a single GLIPv2 model (all model weights are shared) achieves near SoTA performance on various localization and understanding tasks. The model also shows (1) strong zero-shot and few-shot adaption performance on open-vocabulary object detection tasks and (2) superior grounding capability on VL understanding tasks.
[ Hall J ]

Recent years have seen embodied visual navigation advance in two distinct directions: (i) in equipping the AI agent to follow natural language instructions, and (ii) in making the navigable world multimodal, e.g., audio-visual navigation. However, the real world is not only multimodal, but also often complex, and thus in spite of these advances, agents still need to understand the uncertainty in their actions and seek instructions to navigate. To this end, we present AVLEN -- an interactive agent for Audio-Visual-Language Embodied Navigation. Similar to audio-visual navigation tasks, the goal of our embodied agent is to localize an audio event via navigating the 3D visual world; however, the agent may also seek help from a human (oracle), where the assistance is provided in free-form natural language. To realize these abilities, AVLEN uses a multimodal hierarchical reinforcement learning backbone that learns: (a) high-level policies to choose either audio-cues for navigation or to query the oracle, and (b) lower-level policies to select navigation actions based on its audio-visual and language inputs. The policies are trained via rewarding for the success on the navigation task while minimizing the number of queries to the oracle. To empirically evaluate AVLEN, we present experiments on the SoundSpaces …
[ Hall J ]
The error-backpropagation (backprop) algorithm remains the most common solution to the credit assignment problem in artificial neural networks. In neuroscience, it is unclear whether the brain could adopt a similar strategy to correctly modify its synapses. Recent models have attempted to bridge this gap while being consistent with a range of experimental observations. However, these models are either unable to effectively backpropagate error signals across multiple layers or require a multi-phase learning process, neither of which are reminiscent of learning in the brain. Here, we introduce a new model, Bursting Cortico-Cortical Networks (BurstCCN), which solves these issues by integrating known properties of cortical networks namely bursting activity, short-term plasticity (STP) and dendrite-targeting interneurons. BurstCCN relies on burst multiplexing via connection-type-specific STP to propagate backprop-like error signals within deep cortical networks. These error signals are encoded at distal dendrites and induce burst-dependent plasticity as a result of excitatory-inhibitory top-down inputs. First, we demonstrate that our model can effectively backpropagate errors through multiple layers using a single-phase learning process. Next, we show both empirically and analytically that learning in our model approximates backprop-derived gradients. Finally, we demonstrate that our model is capable of learning complex image classification tasks (MNIST and CIFAR-10). Overall, …
[ Hall J ]
Representation learning, \textit{i.e.} the generation of representations useful for downstream applications, is a task of fundamental importance that underlies much of the success of deep neural networks (DNNs). Recently, \emph{robustness to adversarial examples} has emerged as a desirable property for DNNs, spurring the development of robust training methods that account for adversarialexamples. In this paper, we aim to understand how the properties of representations learned by robust training differ from those obtained from standard, non-robust training. This is critical to diagnosing numerous salient pitfalls in robust networks, such as, degradation of performance on benign inputs, poor generalization of robustness, and increase in over-fitting. We utilize a powerful set of tools known as representation similarity metrics, across 3 vision datasets, to obtain layer-wise comparisons between robust and non-robust DNNs with different architectures, training procedures and adversarial constraints. Our experiments highlight hitherto unseen properties of robust representations that we posit underlie the behavioral differences of robust networks. We discover a lack of specialization in robust networks' representations along with a disappearance of `block structure'. We also find overfitting during robust training largely impacts deeper layers. These, along with other findings, suggest ways forward for the design and training of better robust networks.
[ Hall J ]

In distributed or federated optimization and learning, communication between the different computing units is often the bottleneck and gradient compression is widely used to reduce the number of bits sent within each communication round of iterative methods. There are two classes of compression operators and separate algorithms making use of them. In the case of unbiased random compressors with bounded variance (e.g., rand-k), the DIANA algorithm of Mishchenko et al. (2019), which implements a variance reduction technique for handling the variance introduced by compression, is the current state of the art. In the case of biased and contractive compressors (e.g., top-k), the EF21 algorithm of Richtárik et al. (2021), which instead implements an error-feedback mechanism, is the current state of the art. These two classes of compression schemes and algorithms are distinct, with different analyses and proof techniques. In this paper, we unify them into a single framework and propose a new algorithm, recovering DIANA and EF21 as particular cases. Our general approach works with a new, larger class of compressors, which has two parameters, the bias and the variance, and includes unbiased and biased compressors as particular cases. This allows us to inherit the best of the two worlds: …
[ Hall J ]

Fine-tuning large pre-trained models on downstream tasks has been adopted in a variety of domains recently. However, it is costly to update the entire parameter set of large pre-trained models. Although recently proposed parameter-efficient transfer learning (PETL) techniques allow updating a small subset of parameters (e.g. only using 2% of parameters) inside a pre-trained backbone network for a new task, they only reduce the training memory requirement by up to 30%. This is because the gradient computation for the trainable parameters still requires back-propagation through the large pre-trained backbone model. To address this, we propose Ladder Side-Tuning (LST), a new PETL technique that can reduce training memory requirements by more substantial amounts. Unlike existing parameter-efficient methods that insert additional parameters inside backbone networks, we train a ladder side network, a small and separate network that takes intermediate activations as input via shortcut connections (ladders) from backbone networks and makes predictions. LST has significantly lower memory requirements than previous methods, because it does not require back-propagation through the backbone network, but instead only through the side network and ladder connections. We evaluate our method with various models (T5 and CLIP-T5) on both natural language processing (GLUE) and vision-and-language (VQA, GQA, NLVR2, …
[ Hall J ]

[ Hall J ]

While cross entropy (CE) is the most commonly used loss function to train deep neural networks for classification tasks, many alternative losses have been developed to obtain better empirical performance. Among them, which one is the best to use is still a mystery, because there seem to be multiple factors affecting the answer, such as properties of the dataset, the choice of network architecture, and so on. This paper studies the choice of loss function by examining the last-layer features of deep networks, drawing inspiration from a recent line work showing that the global optimal solution of CE and mean-square-error (MSE) losses exhibits a Neural Collapse phenomenon. That is, for sufficiently large networks trained until convergence, (i) all features of the same class collapse to the corresponding class mean and (ii) the means associated with different classes are in a configuration where their pairwise distances are all equal and maximized. We extend such results and show through global solution and landscape analyses that a broad family of loss functions including commonly used label smoothing (LS) and focal loss (FL) exhibits Neural Collapse. Hence, all relevant losses (i.e., CE, LS, FL, MSE) produce equivalent features on training data. In particular, based …
[ Hall J ]
The maximum a posteriori (MAP) inference for determinantal point processes (DPPs) is crucial for selecting diverse items in many machine learning applications. Although DPP MAP inference is NP-hard, the greedy algorithm often finds high-quality solutions, and many researchers have studied its efficient implementation. One classical and practical method is the lazy greedy algorithm, which is applicable to general submodular function maximization, while a recent fast greedy algorithm based on the Cholesky factorization is more efficient for DPP MAP inference. This paper presents how to combine the ideas of lazy'' and
fast'', which have been considered incompatible in the literature. Our lazy and fast greedy algorithm achieves almost the same time complexity as the current best one and runs faster in practice. The idea of ``lazy + fast'' is extendable to other greedy-type algorithms. We also give a fast version of the double greedy algorithm for unconstrained DPP MAP inference. Experiments validate the effectiveness of our acceleration ideas.
[ Hall J ]

In this paper, we investigate an online prediction strategy named as Discounted-Normal-Predictor [Kapralov and Panigrahy, 2010] for smoothed online convex optimization (SOCO), in which the learner needs to minimize not only the hitting cost but also the switching cost. In the setting of learning with expert advice, Daniely and Mansour [2019] demonstrate that Discounted-Normal-Predictor can be utilized to yield nearly optimal regret bounds over any interval, even in the presence of switching costs. Inspired by their results, we develop a simple algorithm for SOCO: Combining online gradient descent (OGD) with different step sizes sequentially by Discounted-Normal-Predictor. Despite its simplicity, we prove that it is able to minimize the adaptive regret with switching cost, i.e., attaining nearly optimal regret with switching cost on every interval. By exploiting the theoretical guarantee of OGD for dynamic regret, we further show that the proposed algorithm can minimize the dynamic regret with switching cost in every interval.
[ Hall J ]

We establish a simple connection between robust and differentially-private algorithms: private mechanisms which perform well with very high probability are automatically robust in the sense that they retain accuracy even if a constant fraction of the samples they receive are adversarially corrupted. Since optimal mechanisms typically achieve these high success probabilities, our results imply that optimal private mechanisms for many basic statistics problems are robust. We investigate the consequences of this observation for both algorithms and computational complexity across different statistical problems. Assuming the Brennan-Bresler secret-leakage planted clique conjecture, we demonstrate a fundamental tradeoff between computational efficiency, privacy leakage, and success probability for sparse mean estimation. Private algorithms which match this tradeoff are not yet known -- we achieve that (up to polylogarithmic factors) in a polynomially-large range of parameters via theSum-of-Squares method.To establish an information-computation gap for sparse mean estimation, we also design new (exponential-time) mechanisms using fewer samples than efficient algorithms must use. Finally, we give evidence for privacy-induced information-computation gaps for several other statistics and learning problems, including PAC learning parity functions and estimation of the mean of a multivariate Gaussian.
[ Hall J ]
Bayesian coresets approximate a posterior distribution by building a small weighted subset of the data points. Any inference procedure that is too computationally expensive to be run on the full posterior can instead be run inexpensively on the coreset, with results that approximate those on the full data. However, current approaches are limited by either a significant run-time or the need for the user to specify a low-cost approximation to the full posterior. We propose a Bayesian coreset construction algorithm that first selects a uniformly random subset of data, and then optimizes the weights using a novel quasi-Newton method. Our algorithm is a simple to implement, black-box method, that does not require the user to specify a low-cost posterior approximation. It is the first to come with a general high-probability bound on the KL divergence of the output coreset posterior. Experiments demonstrate that our method provides significant improvements in coreset quality against alternatives with comparable construction times, with far less storage cost and user input required.
[ Hall J ]

A longstanding challenge in neuroscience is to understand neural mechanisms underlying the brain’s remarkable ability to learn and detect transformations of objects due to motion. Translations and rotations of images can be viewed as orthogonal transformations in the space of pixel intensity vectors. Every orthogonal transformation can be decomposed into rotations within irreducible two-dimensional subspaces (or representations). For sets of commuting transformations, known as toroidal groups, Cohen and Welling proposed a mathematical framework for learning the irreducible representations. We explore the possibility that the brain also learns irreducible representations using a biologically plausible learning mechanism. The first is based on SVD of the anti-symmetrized outer product of the vectors representing consecutive images and is implemented by a single-layer neural network. The second is based on PCA of the difference between consecutive frames and is implemented in a two-layer network but with greater biological plausibility. Both networks learn image rotations (replicating Cohen and Welling’s results) as well as translations. It would be interesting to search for the proposed networks in nascent connectomics and physiology datasets.
[ Hall J ]
A long-term goal of reinforcement learning is to design agents that can autonomously interact and learn in the world. A critical challenge to such autonomy is the presence of irreversible states which require external assistance to recover from, such as when a robot arm has pushed an object off of a table. While standard agents require constant monitoring to decide when to intervene, we aim to design proactive agents that can request human intervention only when needed. To this end, we propose an algorithm that efficiently learns to detect and avoid states that are irreversible, and proactively asks for help in case the agent does enter them. On a suite of continuous control environments with unknown irreversible states, we find that our algorithm exhibits better sample- and intervention-efficiency compared to existing methods.
[ Hall J ]

To achieve autonomy in a priori unknown real-world scenarios, agents should be able to: i) act from high-dimensional sensory observations (e.g., images), ii) learn from past experience to adapt and improve, and iii) be capable of long horizon planning. Classical planning algorithms (e.g. PRM, RRT) are proficient at handling long-horizon planning. Deep learning based methods in turn can provide the necessary representations to address the others, by modeling statistical contingencies between observations. In this direction, we introduce a general-purpose planning algorithm called PALMER that combines classical sampling-based planning algorithms with learning-based perceptual representations. For training these perceptual representations, we combine Q-learning with contrastive representation learning to create a latent space where the distance between the embeddings of two states captures how easily an optimal policy can traverse between them. For planning with these perceptual representations, we re-purpose classical sampling-based planning algorithms to retrieve previously observed trajectory segments from a replay buffer and restitch them into approximately optimal paths that connect any given pair of start and goal states. This creates a tight feedback loop between representation learning, memory, reinforcement learning, and sampling-based planning. The end result is an experiential framework for long-horizon planning that is significantly more robust and sample …
[ Hall J ]
Existing weak supervision approaches use all the data covered by weak signals to train a classifier. We show both theoretically and empirically that this is not always optimal. Intuitively, there is a tradeoff between the amount of weakly-labeled data and the precision of the weak labels. We explore this tradeoff by combining pretrained data representations with the cut statistic to select (hopefully) high-quality subsets of the weakly-labeled training data. Subset selection applies to any label model and classifier and is very simple to plug in to existing weak supervision pipelines, requiring just a few lines of code. We show our subset selection method improves the performance of weak supervision for a wide range of label models, classifiers, and datasets. Using less weakly-labeled data improves the accuracy of weak supervision pipelines by up to 19% (absolute) on benchmark tasks.
[ Hall J ]
In reinforcement learning (RL), it is easier to solve a task if given a good representation. While deep RL should automatically acquire such good representations, prior work often finds that learning representations in an end-to-end fashion is unstable and instead equip RL algorithms with additional representation learning parts (e.g., auxiliary losses, data augmentation). How can we design RL algorithms that directly acquire good representations? In this paper, instead of adding representation learning parts to an existing RL algorithm, we show (contrastive) representation learning methods are already RL algorithms in their own right. To do this, we build upon prior work and apply contrastive representation learning to action-labeled trajectories, in such a way that the (inner product of) learned representations exactly corresponds to a goal-conditioned value function. We use this idea to reinterpret a prior RL method as performing contrastive learning, and then use the idea to propose a much simpler method that achieves similar performance. Across a range of goal-conditioned RL tasks, we demonstrate that contrastive RL methods achieve higher success rates than prior non-contrastive methods. We also show that contrastive RL outperforms prior methods on image-based tasks, without using data augmentation or auxiliary objectives
[ Hall J ]
Recent advances in contrastive representation learning over paired image-text data have led to models such as CLIP that achieve state-of-the-art performance for zero-shot classification and distributional robustness. Such models typically require joint reasoning in the image and text representation spaces for downstream inference tasks. Contrary to prior beliefs, we demonstrate that the image and text representations learned via a standard contrastive objective are not interchangeable and can lead to inconsistent downstream predictions. To mitigate this issue, we formalize consistency and propose CyCLIP, a framework for contrastive representation learning that explicitly optimizes for the learned representations to be geometrically consistent in the image and text space. In particular, we show that consistent representations can be learned by explicitly symmetrizing (a) the similarity between the two mismatched image-text pairs (cross-modal consistency); and (b) the similarity between the image-image pair and the text-text pair (in-modal consistency). Empirically, we show that the improved consistency in CyCLIP translates to significant gains over CLIP, with gains ranging from 10%-24% for zero-shot classification on standard benchmarks (CIFAR-10, CIFAR-100, ImageNet1K) and 10%-27% for robustness to various natural distribution shifts.
[ Hall J ]

Training deep learning models can be computationally expensive. Prior works have shown that increasing the batch size can potentially lead to better overall throughput. However, the batch size is frequently limited by the accelerator memory capacity due to the activations/feature maps stored for the training backward pass, as larger batch sizes require larger feature maps to be stored. Transformer-based models, which have recently seen a surge in popularity due to their good performance and applicability to a variety of tasks, have a similar problem. To remedy this issue, we propose Tempo, a new approach to efficiently use accelerator (e.g., GPU) memory resources for training Transformer-based models. Our approach provides drop-in replacements for the GELU, LayerNorm, and Attention layers, reducing the memory usage and ultimately leading to more efficient training. We implement Tempo and evaluate the throughput, memory usage, and accuracy/loss on the BERT Large pre-training task. We demonstrate that Tempo enables up to 2× higher batch sizes and 16% higher training throughput over the state-of-the-art baseline. We also evaluate Tempo on GPT2 and RoBERTa models, showing 19% and 26% speedup over the baseline.
[ Hall J ]

Emergent communication (EC) research often focuses on optimizing task-specific utility as a driver for communication. However, there is increasing evidence that human languages are shaped by task-general communicative constraints and evolve under pressure to optimize the Information Bottleneck (IB) tradeoff between the informativeness and complexity of the lexicon. Here, we integrate these two approaches by trading off utility, informativeness, and complexity in EC. To this end, we propose Vector-Quantized Variational Information Bottleneck (VQ-VIB), a method for training neural agents to encode inputs into discrete signals embedded in a continuous space. We evaluate our approach in multi-agent reinforcement learning settings and in color reference games and show that: (1) VQ-VIB agents can continuously adapt to changing communicative needs and, in the color domain, align with human languages; (2) the emergent VQ-VIB embedding spaces are semantically meaningful and perceptually grounded; and (3) encouraging informativeness leads to faster convergence rates and improved utility, both in VQ-VIB and in prior neural architectures for symbolic EC, with VQ-VIB achieving higher utility for any given complexity. This work offers a new framework for EC that is grounded in information-theoretic principles that are believed to characterize human language evolution and that may facilitate human-agent interaction.
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In this work we present a novel approach for computing correspondences between non-rigid objects, by exploiting a reduced representation of deformation fields. Different from existing works that represent deformation fields by training a general-purpose neural network, we advocate for an approximation based on mesh-free methods. By letting the network learn deformation parameters at a sparse set of positions in space (nodes), we reconstruct the continuous deformation field in a closed-form with guaranteed smoothness. With this reduction in degrees of freedom, we show significant improvement in terms of data-efficiency thus enabling limited supervision. Furthermore, our approximation provides direct access to first-order derivatives of deformation fields, which facilitates enforcing desirable regularization effectively. Our resulting model has high expressive power and is able to capture complex deformations. We illustrate its effectiveness through state-of-the-art results across multiple deformable shape matching benchmarks. Our code and data are publicly available at: https://github.com/Sentient07/DeformationBasis.
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The remarkable progress in deep learning in recent years is largely driven by improvements in scale, where bigger models are trained on larger datasets for longer schedules. To predict the benefit of scale empirically, we argue for a more rigorous methodology based on the extrapolation loss, instead of reporting the best-fitting (interpolating) parameters. We then present a recipe for estimating scaling law parameters reliably from learning curves. We demonstrate that it extrapolates more accurately than previous methods in a wide range of architecture families across several domains, including image classification, neural machine translation (NMT) and language modeling, in addition to tasks from the BIG-Bench evaluation benchmark. Finally, we release a benchmark dataset comprising of 90 evaluation tasks to facilitate research in this domain.
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Multi-head attention empowers the recent success of transformers, the state-of-the-art models that have achieved remarkable success in sequence modeling and beyond. These attention mechanisms compute the pairwise dot products between the queries and keys, which results from the use of unnormalized Gaussian kernels with the assumption that the queries follow a mixture of Gaussian distribution. There is no guarantee that this assumption is valid in practice. In response, we first interpret attention in transformers as a nonparametric kernel regression. We then propose the FourierFormer, a new class of transformers in which the dot-product kernels are replaced by the novel generalized Fourier integral kernels. Different from the dot-product kernels, where we need to choose a good covariance matrix to capture the dependency of the features of data, the generalized Fourier integral kernels can automatically capture such dependency and remove the need to tune the covariance matrix. We theoretically prove that our proposed Fourier integral kernels can efficiently approximate any key and query distributions. Compared to the conventional transformers with dot-product attention, FourierFormers attain better accuracy and reduce the redundancy between attention heads. We empirically corroborate the advantages of FourierFormers over the baseline transformers in a variety of practical applications including language …
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Recently complex-valued neural networks have received increasing attention due to successful applications in various tasks and the potential advantages of better theoretical properties and richer representational capacity. However, the training dynamics of complex networks compared to real networks remains an open problem. In this paper, we investigate the dynamics of deep complex networks during real-valued backpropagation in the infinite-width limit via neural tangent kernel (NTK). We first extend the Tensor Program to the complex domain, to show that the dynamics of any basic complex network architecture is governed by its NTK under real-valued backpropagation. Then we propose a way to investigate the comparison of training dynamics between complex and real networks by studying their NTKs. As a result, we surprisingly prove that for most complex activation functions, the commonly used real-valued backpropagation reduces the training dynamics of complex networks to that of ordinary real networks as the widths tend to infinity, thus eliminating the characteristics of complex-valued neural networks. Finally, the experiments validate our theoretical findings numerically.
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This paper studies the fundamental problem of learning energy-based model (EBM) in the latent space of the generator model. Learning such prior model typically requires running costly Markov Chain Monte Carlo (MCMC). Instead, we propose to use noise contrastive estimation (NCE) to discriminatively learn the EBM through density ratio estimation between the latent prior density and latent posterior density. However, the NCE typically fails to accurately estimate such density ratio given large gap between two densities. To effectively tackle this issue and further learn more expressive prior model, we develop the adaptive multi-stage density ratio estimation which breaks the estimation into multiple stages and learn different stages of density ratio sequentially and adaptively. The latent prior model can be gradually learned using ratio estimated in previous stage so that the final latent space EBM prior can be naturally formed by product of ratios in different stages. The proposed method enables informative and much sharper prior than existing baselines, and can be trained efficiently. Our experiments demonstrate strong performances in terms of image generation and reconstruction as well as anomaly detection.
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Abstract reasoning, as one of the hallmarks of human intelligence, involves collecting information, identifying abstract rules, and applying the rules to solve new problems. Although neural networks have achieved human-level performances in several tasks, the abstract reasoning techniques still far lag behind due to the complexity of learning and applying the logic rules, especially in an unsupervised manner. In this work, we propose a novel framework, ARII, that learns rule representations for Abstract Reasoning via Internal Inferences. The key idea is to repeatedly apply a rule to different instances in hope of having a comprehensive understanding (i.e., representations) of the rule. Specifically, ARII consists of a rule encoder, a reasoner, and an internal referrer. Based on the representations produced by the rule encoder, the reasoner draws the conclusion while the referrer performs internal inferences to regularize rule representations to be robust and generalizable. We evaluate ARII on two benchmark datasets, including PGM and I-RAVEN. We observe that ARII achieves new state-of-the-art records on the majority of the reasoning tasks, including most of the generalization tests in PGM. Our codes are available at https://github.com/Zhangwenbo0324/ARII.
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Recently a wide variety of NAS methods have been proposed and achieved considerable success in automatically identifying highly-performing architectures of neural networks for the sake of reducing the reliance on human experts. Existing NAS methods ignore the fact that different input data elements (e.g., image pixels) have different importance (or saliency) in determining the prediction outcome. They treat all data elements as being equally important and therefore lead to suboptimal performance. To address this problem, we propose an end-to-end framework which dynamically detects saliency of input data, reweights data using saliency maps, and searches architectures on saliency-reweighted data. Our framework is based on four-level optimization, which performs four learning stages in a unified way. At the first stage, a model is trained with its architecture tentatively fixed. At the second stage, saliency maps are generated using the trained model. At the third stage, the model is retrained on saliency-reweighted data. At the fourth stage, the model is evaluated on a validation set and the architecture is updated by minimizing the validation loss. Experiments on several datasets demonstrate the effectiveness of our framework.
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The backdoor or Trojan attack is a severe threat to deep neural networks (DNNs). Researchers find that DNNs trained on benign data and settings can also learn backdoor behaviors, which is known as the natural backdoor. Existing works on anti-backdoor learning are based on weak observations that the backdoor and benign behaviors can differentiate during training. An adaptive attack with slow poisoning can bypass such defenses. Moreover, these methods cannot defend natural backdoors. We found the fundamental differences between backdoor-related neurons and benign neurons: backdoor-related neurons form a hyperplane as the classification surface across input domains of all affected labels. By further analyzing the training process and model architectures, we found that piece-wise linear functions cause this hyperplane surface. In this paper, we design a novel training method that forces the training to avoid generating such hyperplanes and thus remove the injected backdoors. Our extensive experiments on five datasets against five state-of-the-art attacks and also benign training show that our method can outperform existing state-of-the-art defenses. On average, the ASR (attack success rate) of the models trained with NONE is 54.83 times lower than undefended models under standard poisoning backdoor attack and 1.75 times lower under the natural backdoor attack. …
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The ability to identify influential training examples enables us to debug training data and explain model behavior. Existing techniques to do so are based on the flow of training data influence through the model parameters. For large models in NLP applications, it is often computationally infeasible to study this flow through all model parameters, therefore techniques usually pick the last layer of weights. However, we observe that since the activation connected to the last layer of weights contains "shared logic", the data influenced calculated via the last layer weights prone to a "cancellation effect", where the data influence of different examples have large magnitude that contradicts each other. The cancellation effect lowers the discriminative power of the influence score, and deleting influential examples according to this measure often does not change the model's behavior by much. To mitigate this, we propose a technique called TracIn-WE that modifies a method called TracIn to operate on the word embedding layer instead of the last layer, where the cancellation effect is less severe. One potential concern is that influence based on the word embedding layer may not encode sufficient high level information. However, we find that gradients (unlike embeddings) do not suffer from …
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AI systems are becoming increasingly intertwined with human life. In order to effectively collaborate with humans and ensure safety, AI systems need to be able to understand, interpret and predict human moral judgments and decisions. Human moral judgments are often guided by rules, but not always. A central challenge for AI safety is capturing the flexibility of the human moral mind — the ability to determine when a rule should be broken, especially in novel or unusual situations. In this paper, we present a novel challenge set consisting of moral exception question answering (MoralExceptQA) of cases that involve potentially permissible moral exceptions – inspired by recent moral psychology studies. Using a state-of-the-art large language model (LLM) as a basis, we propose a novel moral chain of thought (MoralCoT) prompting strategy that combines the strengths of LLMs with theories of moral reasoning developed in cognitive science to predict human moral judgments. MoralCoT outperforms seven existing LLMs by 6.2% F1, suggesting that modeling human reasoning might be necessary to capture the flexibility of the human moral mind. We also conduct a detailed error analysis to suggest directions for future work to improve AI safety using MoralExceptQA. Our data is open-sourced at https://huggingface.co/datasets/feradauto/MoralExceptQA …
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While large-scale neural language models, such as GPT2 and BART,have achieved impressive results on various text generation tasks, they tend to get stuck in undesirable sentence-level loops with maximization-based decoding algorithms (\textit{e.g.}, greedy search). This phenomenon is counter-intuitive since there are few consecutive sentence-level repetitions in the human corpus (e.g., 0.02\% in Wikitext-103). To investigate the underlying reasons for generating consecutive sentence-level repetitions, we study the relationship between the probability of repetitive tokens and their previous repetitions in context. Through our quantitative experiments, we find that 1) Models have a preference to repeat the previous sentence; 2) The sentence-level repetitions have a \textit{self-reinforcement effect}: the more times a sentence is repeated in the context, the higher the probability of continuing to generate that sentence; 3) The sentences with higher initial probabilities usually have a stronger self-reinforcement effect. Motivated by our findings, we propose a simple and effective training method \textbf{DITTO} (Pseu\underline{D}o-Repet\underline{IT}ion Penaliza\underline{T}i\underline{O}n), where the model learns to penalize probabilities of sentence-level repetitions from synthetic repetitive data. Although our method is motivated by mitigating repetitions, our experiments show that DITTO not only mitigates the repetition issue without sacrificing perplexity, but also achieves better generation quality. Extensive experiments on open-ended text generation …
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Online continual learning (OCL) aims to train neural networks incrementally from a non-stationary data stream with a single pass through data. Rehearsal-based methods attempt to approximate the observed input distributions over time with a small memory and revisit them later to avoid forgetting. Despite their strong empirical performance, rehearsal methods still suffer from a poor approximation of past data’s loss landscape with memory samples. This paper revisits the rehearsal dynamics in online settings. We provide theoretical insights on the inherent memory overfitting risk from the viewpoint of biased and dynamic empirical risk minimization, and examine the merits and limits of repeated rehearsal.Inspired by our analysis, a simple and intuitive baseline, repeated augmented rehearsal (RAR), is designed to address the underfitting-overfitting dilemma of online rehearsal. Surprisingly, across four rather different OCL benchmarks,this simple baseline outperforms vanilla rehearsal by 9\%-17\% and also significantly improves the state-of-the-art rehearsal-based methods MIR, ASER, and SCR. We also demonstrate that RAR successfully achieves an accurate approximation of the loss landscape of past data and high-loss ridge aversion in its learning trajectory. Extensive ablation studies are conducted to study the interplay between repeated and augmented rehearsal, and reinforcement learning (RL) is applied to dynamically adjust the hyperparameters …
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Whereas diverse variations of diffusion models exist, extending the linear diffusion into a nonlinear diffusion process is investigated by very few works. The nonlinearity effect has been hardly understood, but intuitively, there would be promising diffusion patterns to efficiently train the generative distribution towards the data distribution. This paper introduces a data-adaptive nonlinear diffusion process for score-based diffusion models. The proposed Implicit Nonlinear Diffusion Model (INDM) learns by combining a normalizing flow and a diffusion process. Specifically, INDM implicitly constructs a nonlinear diffusion on the data space by leveraging a linear diffusion on the latent space through a flow network. This flow network is key to forming a nonlinear diffusion, as the nonlinearity depends on the flow network. This flexible nonlinearity improves the learning curve of INDM to nearly Maximum Likelihood Estimation (MLE) against the non-MLE curve of DDPM++, which turns out to be an inflexible version of INDM with the flow fixed as an identity mapping. Also, the discretization of INDM shows the sampling robustness. In experiments, INDM achieves the state-of-the-art FID of 1.75 on CelebA. We release our code at https://github.com/byeonghu-na/INDM.
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A Bayesian pseudocoreset is a small synthetic dataset for which the posterior over parameters approximates that of the original dataset. While promising, the scalability of Bayesian pseudocoresets is not yet validated in large-scale problems such as image classification with deep neural networks. On the other hand, dataset distillation methods similarly construct a small dataset such that the optimization with the synthetic dataset converges to a solution similar to optimization with full data. Although dataset distillation has been empirically verified in large-scale settings, the framework is restricted to point estimates, and their adaptation to Bayesian inference has not been explored. This paper casts two representative dataset distillation algorithms as approximations to methods for constructing pseudocoresets by minimizing specific divergence measures: reverse KL divergence and Wasserstein distance. Furthermore, we provide a unifying view of such divergence measures in Bayesian pseudocoreset construction. Finally, we propose a novel Bayesian pseudocoreset algorithm based on minimizing forward KL divergence. Our empirical results demonstrate that the pseudocoresets constructed from these methods reflect the true posterior even in large-scale Bayesian inference problems.
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Random forests are some of the most widely used machine learning models today, especially in domains that necessitate interpretability. We present an algorithm that accelerates the training of random forests and other popular tree-based learning methods. At the core of our algorithm is a novel node-splitting subroutine, dubbed MABSplit, used to efficiently find split points when constructing decision trees. Our algorithm borrows techniques from the multi-armed bandit literature to judiciously determine how to allocate samples and computational power across candidate split points. We provide theoretical guarantees that MABSplit improves the sample complexity of each node split from linear to logarithmic in the number of data points. In some settings, MABSplit leads to 100x faster training (an 99% reduction in training time) without any decrease in generalization performance. We demonstrate similar speedups when MABSplit is used across a variety of forest-based variants, such as Extremely Random Forests and Random Patches. We also show our algorithm can be used in both classification and regression tasks. Finally, we show that MABSplit outperforms existing methods in generalization performance and feature importance calculations under a fixed computational budget. All of our experimental results are reproducible via a one-line script at https://github.com/ThrunGroup/FastForest.
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Understanding to what extent neural networks memorize training data is an intriguing question with practical and theoretical implications. In this paper we show that in some cases a significant fraction of the training data can in fact be reconstructed from the parameters of a trained neural network classifier.We propose a novel reconstruction scheme that stems from recent theoretical results about the implicit bias in training neural networks with gradient-based methods.To the best of our knowledge, our results are the first to show that reconstructing a large portion of the actual training samples from a trained neural network classifier is generally possible.This has negative implications on privacy, as it can be used as an attack for revealing sensitive training data. We demonstrate our method for binary MLP classifiers on a few standard computer vision datasets.
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We consider a sequential decision making task where we are not allowed to evaluate parameters that violate an a priori unknown (safety) constraint. A common approach is to place a Gaussian process prior on the unknown constraint and allow evaluations only in regions that are safe with high probability. Most current methods rely on a discretization of the domain and cannot be directly extended to the continuous case. Moreover, the way in which they exploit regularity assumptions about the constraint introduces an additional critical hyperparameter. In this paper, we propose an information-theoretic safe exploration criterion that directly exploits the GP posterior to identify the most informative safe parameters to evaluate. Our approach is naturally applicable to continuous domains and does not require additional hyperparameters. We theoretically analyze the method and show that we do not violate the safety constraint with high probability and that we explore by learning about the constraint up to arbitrary precision. Empirical evaluations demonstrate improved data-efficiency and scalability.
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Practitioners frequently observe that pruning improves model generalization. A long-standing hypothesis based on bias-variance trade-off attributes this generalization improvement to model size reduction. However, recent studies on over-parameterization characterize a new model size regime, in which larger models achieve better generalization. Pruning models in this over-parameterized regime leads to a contradiction -- while theory predicts that reducing model size harms generalization, pruning to a range of sparsities nonetheless improves it. Motivated by this contradiction, we re-examine pruning’s effect on generalization empirically.We show that size reduction cannot fully account for the generalization-improving effect of standard pruning algorithms. Instead, we find that pruning leads to better training at specific sparsities, improving the training loss over the dense model. We find that pruning also leads to additional regularization at other sparsities, reducing the accuracy degradation due to noisy examples over the dense model. Pruning extends model training time and reduces model size. These two factors improve training and add regularization respectively. We empirically demonstrate that both factors are essential to fully explaining pruning's impact on generalization.
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Machine learning systems perform well on pattern matching tasks, but their ability to perform algorithmic or logical reasoning is not well understood. One important reasoning capability is algorithmic extrapolation, in which models trained only on small/simple reasoning problems can synthesize complex strategies for large/complex problems at test time. Algorithmic extrapolation can be achieved through recurrent systems, which can be iterated many times to solve difficult reasoning problems. We observe that this approach fails to scale to highly complex problems because behavior degenerates when many iterations are applied -- an issue we refer to as "overthinking." We propose a recall architecture that keeps an explicit copy of the problem instance in memory so that it cannot be forgotten. We also employ a progressive training routine that prevents the model from learning behaviors that are specific to iteration number and instead pushes it to learn behaviors that can be repeated indefinitely. These innovations prevent the overthinking problem, and enable recurrent systems to solve extremely hard extrapolation tasks.
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We use the "map of elections" approach of Szufa et al. (AAMAS 2020) to analyze several well-known vote distributions. For each of them, we give an explicit formula or an efficient algorithm for computing its frequency matrix, which captures the probability that a given candidate appears in a given position in a sampled vote. We use these matrices to draw the "skeleton map" of distributions, evaluate its robustness, and analyze its properties. We further develop a general and unified framework for learning the distribution of real-world preferences using the frequency matrices of established vote distributions.
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Calculation of Bayesian posteriors and model evidences typically requires numerical integration. Bayesian quadrature (BQ), a surrogate-model-based approach to numerical integration, is capable of superb sample efficiency, but its lack of parallelisation has hindered its practical applications. In this work, we propose a parallelised (batch) BQ method, employing techniques from kernel quadrature, that possesses an empirically exponential convergence rate.Additionally, just as with Nested Sampling, our method permits simultaneous inference of both posteriors and model evidence.Samples from our BQ surrogate model are re-selected to give a sparse set of samples, via a kernel recombination algorithm, requiring negligible additional time to increase the batch size.Empirically, we find that our approach significantly outperforms the sampling efficiency of both state-of-the-art BQ techniques and Nested Sampling in various real-world datasets, including lithium-ion battery analytics.
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Most PAC-Bayesian bounds hold in the batch learning setting where data is collected at once, prior to inference or prediction. This somewhat departs from many contemporary learning problems where data streams are collected and the algorithms must dynamically adjust. We prove new PAC-Bayesian bounds in this online learning framework, leveraging an updated definition of regret, and we revisit classical PAC-Bayesian results with a batch-to-online conversion, extending their remit to the case of dependent data. Our results hold for bounded losses, potentially \emph{non-convex}, paving the way to promising developments in online learning.
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Boosting is a fundamental approach in machine learning that enjoys both strong theoretical and practical guarantees. At a high-level, boosting algorithms cleverly aggregate weak learners to generate predictions with arbitrarily high accuracy. In this way, boosting algorithms convert weak learners into strong ones. Recently, Brukhim et al. [2020] extended boosting to the online agnostic binary classification setting. A key ingredient in their approach is a clean and simple reduction to online convex optimization, one that efficiently converts an arbitrary online convex optimizer to an agnostic online booster. In this work, we extend this reduction to multiclass problems and give the first boosting algorithm for online agnostic mutliclass classification. Our reduction also enables the construction of algorithms for statistical agnostic, online realizable, and statistical realizable multiclass boosting.
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In the infinite-armed bandit problem, each arm's average reward is sampled from an unknown distribution, and each arm can be sampled further to obtain noisy estimates of the average reward of that arm. Prior work focuses on the best arm, i.e. estimating the maximum of the average reward distribution. We consider a general class of distribution functionals beyond the maximum and obtain optimal sample complexities in both offline and online settings. We show that online estimation, where the learner can sequentially choose whether to sample a new or existing arm, offers no advantage over the offline setting for estimating the mean functional, but significantly reduces the sample complexity for other functionals such as the median, maximum, and trimmed mean. We propose unified meta algorithms for the online and offline settings and derive matching lower bounds using different Wasserstein distances. For the special case of median estimation, we identify a curious thresholding phenomenon on the indistinguishability between Gaussian convolutions with respect to the noise level, which may be of independent interest.
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The problem of monotone submodular maximization has been studied extensively due to its wide range of applications. However, there are cases where one can only access the objective function in a distorted or noisy form because of the uncertain nature or the errors involved in the evaluation. This paper considers the problem of constrained monotone submodular maximization with noisy oracles introduced by Hassidim and Singer (2017). For a cardinality constraint, we propose an algorithm achieving a near-optimal (1-1/e-O(epsilon))-approximation guarantee (for arbitrary epsilon > 0) with only a polynomial number of queries to the noisy value oracle, which improves the exponential query complexity of Singer and Hassidim (2018). For general matroid constraints, we show the first constant approximation algorithm in the presence of noise. Our main approaches are to design a novel local search framework that can handle the effect of noise and to construct certain smoothing surrogate functions for noise reduction.
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We study the problem of off-policy evaluation (OPE) for episodic Partially Observable Markov Decision Processes (POMDPs) with continuous states. Motivated by the recently proposed proximal causal inference framework, we develop a non-parametric identification result for estimating the policy value via a sequence of so-called V-bridge functions with the help of time-dependent proxy variables. We then develop a fitted-Q-evaluation-type algorithm to estimate V-bridge functions recursively, where a non-parametric instrumental variable (NPIV) problem is solved at each step. By analyzing this challenging sequential NPIV estimation, we establish the finite-sample error bounds for estimating the V-bridge functions and accordingly that for evaluating the policy value, in terms of the sample size, length of horizon and so-called (local) measure of ill-posedness at each step. To the best of our knowledge, this is the first finite-sample error bound for OPE in POMDPs under non-parametric models.
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Many real-world datasets contain missing entries and mixed data types including categorical and ordered (e.g. continuous and ordinal) variables. Imputing the missing entries is necessary, since many data analysis pipelines require complete data, but challenging especially for mixed data. This paper proposes a probabilistic imputation method using an extended Gaussian copula model that supports both single and multiple imputation. The method models mixed categorical and ordered data using a latent Gaussian distribution. The unordered characteristics of categorical variables is explicitly modeled using the argmax operator. The method makes no assumptions on the data marginals nor does it require tuning any hyperparameters. Experimental results on synthetic and real datasets show that imputation with the extended Gaussian copula outperforms the current state-of-the-art for both categorical and ordered variables in mixed data.
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Causal discovery and causal reasoning are classically treated as separate and consecutive tasks: one first infers the causal graph, and then uses it to estimate causal effects of interventions. However, such a two-stage approach is uneconomical, especially in terms of actively collected interventional data, since the causal query of interest may not require a fully-specified causal model. From a Bayesian perspective, it is also unnatural, since a causal query (e.g., the causal graph or some causal effect) can be viewed as a latent quantity subject to posterior inference—quantities that are not of direct interest ought to be marginalized out in this process, thus contributing to our overall uncertainty. In this work, we propose Active Bayesian Causal Inference (ABCI), a fully-Bayesian active learning framework for integrated causal discovery and reasoning, i.e., for jointly inferring a posterior over causal models and queries of interest. In our approach to ABCI, we focus on the class of causally-sufficient nonlinear additive Gaussian noise models, which we model using Gaussian processes. To capture the space of causal graphs, we use a continuous latent graph representation, allowing our approach to scale to practically relevant problem sizes. We sequentially design experiments that are maximally informative about our target …
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In this paper, we propose to use the concept of local fairness for auditing and ranking redistricting plans. Given a redistricting plan, a deviating group is a population-balanced contiguous region in which a majority of individuals are of the same interest and in the minority of their respective districts; such a set of individuals have a justified complaint with how the redistricting plan was drawn. A redistricting plan with no deviating groups is called locally fair. We show that the problem of auditing a given plan for local fairness is NP-complete. We present an MCMC approach for auditing as well as ranking redistricting plans. We also present a dynamic programming based algorithm for the auditing problem that we use to demonstrate the efficacy of our MCMC approach. Using these tools, we test local fairness on real-world election data, showing that it is indeed possible to find plans that are almost or exactly locally fair. Further, we show that such plans can be generated while sacrificing very little in terms of compactness and existing fairness measures such as competitiveness of the districts or seat shares of the plans.
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We consider imitation learning problems where the learner's ability to mimic the expert increases throughout the course of an episode as more information is revealed. One example of this is when the expert has access to privileged information: while the learner might not be able to accurately reproduce expert behavior early on in an episode, by considering the entire history of states and actions, they might be able to eventually identify the hidden context and act as the expert would. We prove that on-policy imitation learning algorithms (with or without access to a queryable expert) are better equipped to handle these sorts of asymptotically realizable problems than off-policy methods. This is because on-policy algorithms provably learn to recover from their initially suboptimal actions, while off-policy methods treat their suboptimal past actions as though they came from the expert. This often manifests as a latching behavior: a naive repetition of past actions. We conduct experiments in a toy bandit domain that show that there exist sharp phase transitions of whether off-policy approaches are able to match expert performance asymptotically, in contrast to the uniformly good performance of on-policy approaches. We demonstrate that on several continuous control tasks, on-policy approaches are able …
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Predictions about people, such as their expected educational achievement or their credit risk, can be performative and shape the outcome that they are designed to predict. Understanding the causal effect of predictions on the eventual outcomes is crucial for foreseeing the implications of future predictive models and selecting which models to deploy. However, this causal estimation task poses unique challenges: model predictions are usually deterministic functions of input features and highly correlated with outcomes, which can make the causal effects of predictions on outcomes impossible to disentangle from the direct effect of the covariates. We study this problem through the lens of causal identifiability. Despite the hardness of this problem in full generality, we highlight three natural scenarios where the causal effect of predictions can be identified from observational data: randomization in predictions, overparameterization of the predictive model deployed during data collection, and discrete prediction outputs. Empirically we show that given our identifiability conditions hold, standard variants of supervised learning that predict from predictions by treating the prediction as an input feature can find transferable functional relationships that allow for conclusions about newly deployed predictive models. These positive results fundamentally rely on model predictions being recorded during data collection, bringing …
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Geometric deep learning has broad applications in biology, a domain where relational structure in data is often intrinsic to modelling the underlying phenomena. Currently, efforts in both geometric deep learning and, more broadly, deep learning applied to biomolecular tasks have been hampered by a scarcity of appropriate datasets accessible to domain specialists and machine learning researchers alike. To address this, we introduce Graphein as a turn-key tool for transforming raw data from widely-used bioinformatics databases into machine learning-ready datasets in a high-throughput and flexible manner. Graphein is a Python library for constructing graph and surface-mesh representations of biomolecular structures, such as proteins, nucleic acids and small molecules, and biological interaction networks for computational analysis and machine learning. Graphein provides utilities for data retrieval from widely-used bioinformatics databases for structural data, including the Protein Data Bank, the AlphaFold Structure Database, chemical data from ZINC and ChEMBL, and for biomolecular interaction networks from STRINGdb, BioGrid, TRRUST and RegNetwork. The library interfaces with popular geometric deep learning libraries: DGL, Jraph, PyTorch Geometric and PyTorch3D though remains framework agnostic as it is built on top of the PyData ecosystem to enable inter-operability with scientific computing tools and libraries. Graphein is designed to be highly …
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Dale’s principle implies that biological neural networks are composed of neurons that are either excitatory or inhibitory. While the number of possible architectures of such Daleian networks is exponentially smaller than the number of non-Daleian ones, the computational and functional implications of using Daleian networks by the brain are mostly unknown. Here, we use models of recurrent spiking neural networks and rate-based ones to show, surprisingly, that despite the structural limitations on Daleian networks, they can approximate the computation performed by non-Daleian networks to a very high degree of accuracy. Moreover, we find that Daleian networks are more functionally robust to synaptic noise. We then show that unlike non-Daleian networks, Daleian ones can learn efficiently by tuning of single neuron features, nearly as well as learning by tuning individual synaptic weights. Importantly, this suggests a simpler and more biologically plausible learning mechanisms. We therefore suggest that in addition to architectural simplicity, Dale's principle confers computational and learning benefits for biological networks, and offer new directions for constructing and training biologically-inspired artificial neural networks.
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Variational inequalities are a formalism that includes games, minimization, saddle point, and equilibrium problems as special cases. Methods for variational inequalities are therefore universal approaches for many applied tasks, including machine learning problems. This work concentrates on the decentralized setting, which is increasingly important but not well understood. In particular, we consider decentralized stochastic (sum-type) variational inequalities over fixed and time-varying networks. We present lower complexity bounds for both communication and local iterations and construct optimal algorithms that match these lower bounds. Our algorithms are the best among the available literature not only in the decentralized stochastic case, but also in the decentralized deterministic and non-distributed stochastic cases. Experimental results confirm the effectiveness of the presented algorithms.
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The research area of algorithms with predictions has seen recent success showing how to incorporate machine learning into algorithm design to improve performance when the predictions are correct, while retaining worst-case guarantees when they are not. Most previous work has assumed that the algorithm has access to a single predictor. However, in practice, there are many machine learning methods available, often with incomparable generalization guarantees, making it hard to pick a best method a priori. In this work we consider scenarios where multiple predictors are available to the algorithm and the question is how to best utilize them. Ideally, we would like the algorithm's performance to depend on the quality of the {\em best} predictor. However, utilizing more predictions comes with a cost, since we now have to identify which prediction is best. We study the use of multiple predictors for a number of fundamental problems, including matching, load balancing, and non-clairvoyant scheduling, which have been well-studied in the single predictor setting. For each of these problems we introduce new algorithms that take advantage of multiple predictors, and prove bounds on the resulting performance.
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Temporal graph networks (TGNs) have gained prominence as models for embedding dynamic interactions, but little is known about their theoretical underpinnings. We establish fundamental results about the representational power and limits of the two main categories of TGNs: those that aggregate temporal walks (WA-TGNs), and those that augment local message passing with recurrent memory modules (MP-TGNs). Specifically, novel constructions reveal the inadequacy of MP-TGNs and WA-TGNs, proving that neither category subsumes the other. We extend the 1-WL (Weisfeiler-Leman) test to temporal graphs, and show that the most powerful MP-TGNs should use injective updates, as in this case they become as expressive as the temporal WL. Also, we show that sufficiently deep MP-TGNs cannot benefit from memory, and MP/WA-TGNs fail to compute graph properties such as girth. These theoretical insights lead us to PINT --- a novel architecture that leverages injective temporal message passing and relative positional features. Importantly, PINT is provably more expressive than both MP-TGNs and WA-TGNs. PINT significantly outperforms existing TGNs on several real-world benchmarks.
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The fundamental problem of causal inference -- that we never observe counterfactuals -- prevents us from identifying how many might be negatively affected by a proposed intervention. If, in an A/B test, half of users click (or buy, or watch, or renew, etc.), whether exposed to the standard experience A or a new one B, hypothetically it could be because the change affects no one, because the change positively affects half the user population to go from no-click to click while negatively affecting the other half, or something in between. While unknowable, this impact is clearly of material importance to the decision to implement a change or not, whether due to fairness, long-term, systemic, or operational considerations. We therefore derive the tightest-possible (i.e., sharp) bounds on the fraction negatively affected (and other related estimands) given data with only factual observations, whether experimental or observational. Naturally, the more we can stratify individuals by observable covariates, the tighter the sharp bounds. Since these bounds involve unknown functions that must be learned from data, we develop a robust inference algorithm that is efficient almost regardless of how and how fast these functions are learned, remains consistent when some are mislearned, and still gives …
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Learning for control of dynamical systems with formal guarantees remains a challenging task. This paper proposes a learning framework to simultaneously stabilize an unknown nonlinear system with a neural controller and learn a neural Lyapunov function to certify a region of attraction (ROA) for the closed-loop system with provable guarantees. The algorithmic structure consists of two neural networks and a satisfiability modulo theories (SMT) solver. The first neural network is responsible for learning the unknown dynamics. The second neural network aims to identify a valid Lyapunov function and a provably stabilizing nonlinear controller. The SMT solver verifies the candidate Lyapunov function satisfies the Lyapunov conditions. We further provide theoretical guarantees of the proposed learning framework and show that the obtained Lyapunov function indeed verifies for the unknown nonlinear system under mild assumptions. We illustrate the effectiveness of the results with a few numerical experiments.
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Traditional causal inference techniques assume data are independent and identically distributed (IID) and thus ignores interactions among units. However, a unit’s treatment may affect another unit's outcome (interference), a unit’s treatment may be correlated with another unit’s outcome, or a unit’s treatment and outcome may be spuriously correlated through another unit. To capture such nuances, we model the data generating process using causal graphs and conduct a systematic analysis of the bias caused by different types of interactions when computing causal effects. We derive theorems to detect and quantify the interaction bias, and derive conditions under which it is safe to ignore interactions. Put differently, we present conditions under which causal effects can be computed with negligible bias by assuming that samples are IID. Furthermore, we develop a method to eliminate bias in cases where blindly assuming IID is expected to yield a significantly biased estimate. Finally, we test the coverage and performance of our methods through simulations.
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As representation learning becomes a powerful technique to reduce sample complexity in reinforcement learning (RL) in practice, theoretical understanding of its advantage is still limited. In this paper, we theoretically characterize the benefit of representation learning under the low-rank Markov decision process (MDP) model. We first study multitask low-rank RL (as upstream training), where all tasks share a common representation, and propose a new multitask reward-free algorithm called REFUEL. REFUEL learns both the transition kernel and the near-optimal policy for each task, and outputs a well-learned representation for downstream tasks. Our result demonstrates that multitask representation learning is provably more sample-efficient than learning each task individually, as long as the total number of tasks is above a certain threshold. We then study the downstream RL in both online and offline settings, where the agent is assigned with a new task sharing the same representation as the upstream tasks. For both online and offline settings, we develop a sample-efficient algorithm, and show that it finds a near-optimal policy with the suboptimality gap bounded by the sum of the estimation error of the learned representation in upstream and a vanishing term as the number of downstream samples becomes large. Our downstream results …
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Multi-armed bandit problems provide a framework to identify the optimal intervention over a sequence of repeated experiments. Without additional assumptions, minimax optimal performance (measured by cumulative regret) is well-understood. With access to additional observed variables that d-separate the intervention from the outcome (i.e., they are a d-separator), recent "causal bandit" algorithms provably incur less regret. However, in practice it is desirable to be agnostic to whether observed variables are a d-separator. Ideally, an algorithm should be adaptive; that is, perform nearly as well as an algorithm with oracle knowledge of the presence or absence of a d-separator. In this work, we formalize and study this notion of adaptivity, and provide a novel algorithm that simultaneously achieves (a) optimal regret when a d-separator is observed, improving on classical minimax algorithms, and (b) significantly smaller regret than recent causal bandit algorithms when the observed variables are not a d-separator. Crucially, our algorithm does not require any oracle knowledge of whether a d-separator is observed. We also generalize this adaptivity to other conditions, such as the front-door criterion.
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Optimizing strategic decisions (a.k.a. computing equilibrium) is key to the success of many non-cooperative multi-agent applications. However, in many real-world situations, we may face the exact opposite of this game-theoretic problem --- instead of prescribing equilibrium of a given game, we may directly observe the agents' equilibrium behaviors but want to infer the underlying parameters of an unknown game. This research question, also known as inverse game theory, has been studied in multiple recent works in the context of Stackelberg games. Unfortunately, existing works exhibit quite negative results, showing statistical hardness and computational hardness, assuming follower's perfectly rational behaviors. Our work relaxes the perfect rationality agent assumption to the classic quantal response model, a more realistic behavior model of bounded rationality. Interestingly, we show that the smooth property brought by such bounded rationality model actually leads to provably more efficient learning of the follower utility parameters in general Stackelberg games. Systematic empirical experiments on synthesized games confirm our theoretical results and further suggest its robustness beyond the strict quantal response model.
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We introduce the Globally Normalized Autoregressive Transducer (GNAT) for addressing the label bias problem in streaming speech recognition. Our solution admits a tractable exact computation of the denominator for the sequence-level normalization. Through theoretical and empirical results, we demonstrate that by switching to a globally normalized model, the word error rate gap between streaming and non-streaming speech-recognition models can be greatly reduced (by more than 50% on the Librispeech dataset). This model is developed in a modular framework which encompasses all the common neural speech recognition models. The modularity of this framework enables controlled comparison of modelling choices and creation of new models. A JAX implementation of our models has been open sourced.
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Current end-to-end autonomous driving methods either run a controller based on a planned trajectory or perform control prediction directly, which have spanned two separately studied lines of research. Seeing their potential mutual benefits to each other, this paper takes the initiative to explore the combination of these two well-developed worlds. Specifically, our integrated approach has two branches for trajectory planning and direct control, respectively. The trajectory branch predicts the future trajectory, while the control branch involves a novel multi-step prediction scheme such that the relationship between current actions and future states can be reasoned. The two branches are connected so that the control branch receives corresponding guidance from the trajectory branch at each time step. The outputs from two branches are then fused to achieve complementary advantages. Our results are evaluated in the closed-loop urban driving setting with challenging scenarios using the CARLA simulator. Even with a monocular camera input, the proposed approach ranks first on the official CARLA Leaderboard, outperforming other complex candidates with multiple sensors or fusion mechanisms by a large margin. The sourcecode is publicly available at https://github.com/OpenPerceptionX/TCP
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Existing top-performance 3D object detectors typically rely on the multi-modal fusion strategy. This design is however fundamentally restricted due to overlooking the modality-specific useful information and finally hampering the model performance. To address this limitation, in this work we introduce a novel modality interaction strategy where individual per-modality representations are learned and maintained throughout for enabling their unique characteristics to be exploited during object detection. To realize this proposed strategy, we design a DeepInteraction architecture characterized by a multi-modal representational interaction encoder and a multi-modal predictive interaction decoder. Experiments on the large-scale nuScenes dataset show that our proposed method surpasses all prior arts often by a large margin. Crucially, our method is ranked at the first position at the highly competitive nuScenes object detection leaderboard.
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6D object pose estimation is one of the fundamental problems in computer vision and robotics research. While a lot of recent efforts have been made on generalizing pose estimation to novel object instances within the same category, namely category-level 6D pose estimation, it is still restricted in constrained environments given the limited number of annotated data. In this paper, we collect Wild6D, a new unlabeled RGBD object video dataset with diverse instances and backgrounds. We utilize this data to generalize category-level 6D object pose estimation in the wild with semi-supervised learning. We propose a new model, called Rendering for Pose estimation network RePoNet), that is jointly trained using the free ground-truths with the synthetic data, and a silhouette matching objective function on the real-world data. Without using any 3D annotations on real data, our method outperforms state-of-the-art methods on the previous dataset and our Wild6D test set (with manual annotations for evaluation) by a large margin. Project page with Wild6D data: \url{https://oasisyang.github.io/semi-pose/}.
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Imitation learning is a class of promising policy learning algorithms that is free from many practical issues with reinforcement learning, such as the reward design issue and the exploration hardness. However, the current imitation algorithm struggles to achieve both high performance and high in-environment sample efficiency simultaneously. Behavioral Cloning (BC) does not need in-environment interactions, but it suffers from the covariate shift problem which harms its performance. Adversarial Imitation Learning (AIL) turns imitation learning into a distribution matching problem. It can achieve better performance on some tasks but it requires a large number of in-environment interactions. Inspired by the recent success of EfficientZero in RL, we propose EfficientImitate (EI), a planning-based imitation learning method that can achieve high in-environment sample efficiency and performance simultaneously. Our algorithmic contribution in this paper is two-fold. First, we extend AIL into the MCTS-based RL. Second, we show the seemingly incompatible two classes of imitation algorithms (BC and AIL) can be naturally unified under our framework, enjoying the benefits of both. We benchmark our method not only on the state-based DeepMind Control Suite but also on the image version which many previous works find highly challenging. Experimental results show that EI achieves state-of-the-art results in …
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Inspired by the concept of preconditioning, we propose a novel method to increase adaptation speed for gradient-based meta-learning methods without incurring extra parameters. We demonstrate that recasting the optimisation problem to a non-linear least-squares formulation provides a principled way to actively enforce a well-conditioned parameter space for meta-learning models based on the concepts of the condition number and local curvature. Our comprehensive evaluations show that the proposed method significantly outperforms its unconstrained counterpart especially during initial adaptation steps, while achieving comparable or better overall results on several few-shot classification tasks – creating the possibility of dynamically choosing the number of adaptation steps at inference time.
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Neural fields have emerged as a new paradigm for representing signals, thanks to their ability to do it compactly while being easy to optimize. In most applications, however, neural fields are treated like a black box, which precludes many signal manipulation tasks. In this paper, we propose a new class of neural fields called basis-encoded polynomial neural fields (PNFs). The key advantage of a PNF is that it can represent a signal as a composition of a number of manipulable and interpretable components without losing the merits of neural fields representation. We develop a general theoretical framework to analyze and design PNFs. We use this framework to design Fourier PNFs, which match state-of-the-art performance in signal representation tasks that use neural fields. In addition, we empirically demonstrate that Fourier PNFs enable signal manipulation applications such as texture transfer and scale-space interpolation. Code is available at https://github.com/stevenygd/PNF.
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Despite the empirical successes of self-supervised learning (SSL) methods, it is unclear what characteristics of their representations lead to high downstream accuracies. In this work, we characterize properties that SSL representations should ideally satisfy. Specifically, we prove necessary and sufficient conditions such that for any task invariant to given data augmentations, probes (e.g., linear or MLP) trained on that representation attain perfect accuracy. These requirements lead to a unifying conceptual framework for improving existing SSL methods and deriving new ones. For contrastive learning, our framework prescribes simple but significant improvements to previous methods such as using asymmetric projection heads. For non-contrastive learning, we use our framework to derive a simple and novel objective. Our resulting SSL algorithms outperform baselines on standard benchmarks, including SwAV+multicrops on linear probing of ImageNet.
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Ensembling neural networks is an effective way to increase accuracy, and can often match the performance of individual larger models. This observation poses a natural question: given the choice between a deep ensemble and a single neural network with similar accuracy, is one preferable over the other? Recent work suggests that deep ensembles may offer distinct benefits beyond predictive power: namely, uncertainty quantification and robustness to dataset shift. In this work, we demonstrate limitations to these purported benefits, and show that a single (but larger) neural network can replicate these qualities. First, we show that ensemble diversity, by any metric, does not meaningfully contribute to an ensemble's ability to detect out-of-distribution (OOD) data, but is instead highly correlated with the relative improvement of a single larger model. Second, we show that the OOD performance afforded by ensembles is strongly determined by their in-distribution (InD) performance, and - in this sense - is not indicative of any "effective robustness." While deep ensembles are a practical way to achieve improvements to predictive power, uncertainty quantification, and robustness, our results show that these improvements can be replicated by a (larger) single model.
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Algorithmic pricing on online e-commerce platforms raises the concern of tacit collusion, where reinforcement learning algorithms learn to set collusive prices in a decentralized manner and through nothing more than profit feedback. This raises the question as to whether collusive pricing can be prevented through the design of suitable "buy boxes," i.e., through the design of the rules that govern the elements of e-commerce sites that promote particular products and prices to consumers. In this paper, we demonstrate that reinforcement learning (RL) can also be used by platforms to learn buy box rules that are effective in preventing collusion by RL sellers. For this, we adopt the methodology of Stackelberg POMDPs, and demonstrate success in learning robust rules that continue to provide high consumer welfare together with sellers employing different behavior models or having out-of-distribution costs for goods.
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We introduce \textit{HALO} -- a deep generative model utilising HAmiltonian Latent Operators to reliably disentangle content and motion information in image sequences. The \textit{content} represents summary statistics of a sequence, and \textit{motion} is a dynamic process that determines how information is expressed in any part of the sequence. By modelling the dynamics as a Hamiltonian motion, important desiderata are ensured: (1) the motion is reversible, (2) the symplectic, volume-preserving structure in phase space means paths are continuous and are not divergent in the latent space. Consequently, the nearness of sequence frames is realised by the nearness of their coordinates in the phase space, which proves valuable for disentanglement and long-term sequence generation. The sequence space is generally comprised of different types of dynamical motions. To ensure long-term separability and allow controlled generation, we associate every motion with a unique Hamiltonian that acts in its respective subspace. We demonstrate the utility of \textit{HALO} by swapping the motion of a pair of sequences, controlled generation, and image rotations.
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This work identifies the existence and cause of a type of posterior collapse that frequently occurs in the Bayesian deep learning practice. For a general linear latent variable model that includes linear variational autoencoders as a special case, we precisely identify the nature of posterior collapse to be the competition between the likelihood and the regularization of the mean due to the prior. Our result also suggests that posterior collapse may be a general problem of learning for deeper architectures and deepens our understanding of Bayesian deep learning.
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The intensive computations in convolutional neural networks (CNNs) pose challenges for resource-constrained devices; eliminating redundant computations from convolution is essential. This paper gives a principled method to detect and avoid transient redundancy, a type of redundancy existing in input data or activation maps and hence changing across inferences. By introducing a new form of convolution (TREC), this new method makes transient redundancy detection and avoidance an inherent part of the CNN architecture, and the determination of the best configurations for redundancy elimination part of CNN backward propagation. We provide a rigorous proof of the robustness and convergence of TREC-equipped CNNs. TREC removes over 96% computations and achieves 3.51x average speedups on microcontrollers with minimal (about 0.7%) accuracy loss.
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We introduce Contrastive Intrinsic Control (CIC), an unsupervised reinforcement learning (RL) algorithm that maximizes the mutual information between state-transitions and latent skill vectors. CIC utilizes contrastive learning between state-transitions and skills vectors to learn behaviour embeddings and maximizes the entropy of these embeddings as an intrinsic reward to encourage behavioural diversity. We evaluate our algorithm on the Unsupervised RL Benchmark (URLB) in the asymptotic state-based setting, which consists of a long reward-free pre-training phase followed by a short adaptation phase to downstream tasks with extrinsic rewards. We find that CIC improves over prior exploration algorithms in terms of adaptation efficiency to downstream tasks on state-based URLB.
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We propose learnable polyphase sampling (LPS), a pair of learnable down/upsampling layers that enable truly shift-invariant and equivariant convolutional networks. LPS can be trained end-to-end from data and generalizes existing handcrafted downsampling layers. It is widely applicable as it can be integrated into any convolutional network by replacing down/upsampling layers. We evaluate LPS on image classification and semantic segmentation. Experiments show that LPS is on-par with or outperforms existing methods in both performance and shift consistency. For the first time, we achieve true shift-equivariance on semantic segmentation (PASCAL VOC), i.e., 100% shift consistency, outperforming baselines by an absolute 3.3%.
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Humans can perform unseen tasks by recalling relevant skills acquired previously and then generalizing them to the target tasks, even if there is no supervision at all. In this paper, we aim to improve this kind of cross-task generalization ability of massive multi-task language models, such as T0 and FLAN, in an unsupervised setting. We propose a retrieval-augmentation method named ReCross that takes a few unlabelled examples as queries to retrieve a small subset of upstream data and uses them to update the multi-task model for better generalization. ReCross is a straightforward yet effective retrieval method that combines both efficient dense retrieval and effective pair-wise reranking. Our results and analysis show that it significantly outperforms both non-retrieval methods and other baseline methods.
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Self-supervised learning (SSL) methods aim to exploit the abundance of unlabelled data for machine learning (ML), however the underlying principles are often method-specific. An SSL framework derived from biological first principles of embodied learning could unify the various SSL methods, help elucidate learning in the brain, and possibly improve ML. SSL commonly transforms each training datapoint into a pair of views, uses the knowledge of this pairing as a positive (i.e. non-contrastive) self-supervisory sign, and potentially opposes it to unrelated, (i.e. contrastive) negative examples. Here, we show that this type of self-supervision is an incomplete implementation of a concept from neuroscience, the Efference Copy (EC). Specifically, the brain also transforms the environment through efference, i.e. motor commands, however it sends to itself an EC of the full commands, i.e. more than a mere SSL sign. In addition, its action representations are likely egocentric. From such a principled foundation we formally recover and extend SSL methods such as SimCLR, BYOL, and ReLIC under a common theoretical framework, i.e. Self-supervision Through Efference Copies (S-TEC). Empirically, S-TEC restructures meaningfully the within- and between-class representations. This manifests as improvement in recent strong SSL baselines in image classification, segmentation, object detection, and in audio. These …
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Individual brains vary in both anatomy and functional organization, even within a given species. Inter-individual variability is a major impediment when trying to draw generalizable conclusions from neuroimaging data collected on groups of subjects. Current co-registration procedures rely on limited data, and thus lead to very coarse inter-subject alignments. In this work, we present a novel method for inter-subject alignment based on Optimal Transport, denoted as Fused Unbalanced Gromov Wasserstein (FUGW). The method aligns two cortical surfaces based on the similarity of their functional signatures in response to a variety of stimuli, while penalizing large deformations of individual topographic organization.We demonstrate that FUGW is suited for whole-brain landmark-free alignment. The unbalanced feature allows to deal with the fact that functional areas vary in size across subjects. Results show that FUGW alignment significantly increases between-subject correlation of activity during new independent fMRI tasks and runs, and leads to more precise maps of fMRI results at the group level.
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In the study of reasoning in neural networks, recent efforts have sought to improve consistency and coherence of sequence models, leading to important developments in the area of neuro-symbolic AI. In symbolic AI, the concepts of consistency and coherence can be defined and verified formally, but for neural networks these definitions are lacking. The provision of such formal definitions is crucial to offer a common basis for the quantitative evaluation and systematic comparison of connectionist, neuro-symbolic and transfer learning approaches. In this paper, we introduce formal definitions of consistency and coherence for neural systems. To illustrate the usefulness of our definitions, we propose a new dynamic relation-decoder model built around the principles of consistency and coherence. We compare our results with several existing relation-decoders using a partial transfer learning task based on a novel data set introduced in this paper. Our experiments show that relation-decoders that maintain consistency over unobserved regions of representation space retaincoherence across domains, whilst achieving better transfer learning performance.
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Latency is of utmost importance in safety-critical systems. In neural networks, lowest theoretical latency is dependent on the depth of the network. This begs the question -- is it possible to build high-performing ``non-deep" neural networks? We show that it is. To do so, we use parallel subnetworks instead of stacking one layer after another. This helps effectively reduce depth while maintaining high performance. By utilizing parallel substructures, we show, for the first time, that a network with a depth of just 12 can achieve top-1 accuracy over 80% on ImageNet, 96% on CIFAR10, and 81% on CIFAR100. We also show that a network with a low-depth (12) backbone can achieve an AP of 48% on MS-COCO. We analyze the scaling rules for our design and show how to increase performance without changing the network's depth. Finally, we provide a proof of concept for how non-deep networks could be used to build low-latency recognition systems. Code is available at https://github.com/imankgoyal/NonDeepNetworks.
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Incremental or continual learning has been extensively studied for image classification tasks to alleviate catastrophic forgetting, a phenomenon in which earlier learned knowledge is forgotten when learning new concepts. For class incremental semantic segmentation, such a phenomenon often becomes much worse due to the semantic shift of the background class, \ie, some concepts learned at previous stages are assigned to the background class at the current training stage, therefore, significantly reducing the performance of these old concepts. To address this issue, we propose a simple yet effective method in this paper, named Mining unseen Classes via Regional Objectness (MicroSeg). Our MicroSeg is based on the assumption that \emph{background regions with strong objectness possibly belong to those concepts in the historical or future stages}. Therefore, to avoid forgetting old knowledge at the current training stage, our MicroSeg first splits the given image into hundreds of segment proposals with a proposal generator. Those segment proposals with strong objectness from the background are then clustered and assigned new defined labels during the optimization. In this way, the distribution characterizes of old concepts in the feature space could be better perceived, relieving the catastrophic forgetting caused by the semantic shift of the background class …
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In label-noise learning, estimating the transition matrix plays an important role in building statistically consistent classifier. Current state-of-the-art consistent estimator for the transition matrix has been developed under the newly proposed sufficiently scattered assumption, through incorporating the minimum volume constraint of the transition matrix T into label-noise learning. To compute the volume of T, it heavily relies on the estimated noisy class posterior. However, the estimation error of the noisy class posterior could usually be large as deep learning methods tend to easily overfit the noisy labels. Then, directly minimizing the volume of such obtained T could lead the transition matrix to be poorly estimated. Therefore, how to reduce the side-effects of the inaccurate noisy class posterior has become the bottleneck of such method. In this paper, we creatively propose to estimate the transition matrix under the forward-backward cycle-consistency regularization, of which we have greatly reduced the dependency of estimating the transition matrix T on the noisy class posterior. We show that the cycle-consistency regularization helps to minimize the volume of the transition matrix T indirectly without exploiting the estimated noisy class posterior, which could further encourage the estimated transition matrix T to converge to its optimal solution. Extensive experimental …
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Language models have achieved remarkable performance on a wide range of tasks that require natural language understanding. Nevertheless, state-of-the-art models have generally struggled with tasks that require quantitative reasoning, such as solving mathematics, science, and engineering questions at the college level. To help close this gap, we introduce Minerva, a large language model pretrained on general natural language data and further trained on technical content. The model achieves strong performance in a variety of evaluations, including state-of-the-art performance on the MATH dataset. We also evaluate our model on over two hundred undergraduate-level problems in physics, biology, chemistry, economics, and other sciences that require quantitative reasoning, and find that the model can correctly answer nearly a quarter of them.
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Denoising diffusion models (DDMs) have emerged as a powerful class of generative models. A forward diffusion process slowly perturbs the data, while a deep model learns to gradually denoise. Synthesis amounts to solving a differential equation (DE) defined by the learnt model. Solving the DE requires slow iterative solvers for high-quality generation. In this work, we propose Higher-Order Denoising Diffusion Solvers (GENIE): Based on truncated Taylor methods, we derive a novel higher-order solver that significantly accelerates synthesis. Our solver relies on higher-order gradients of the perturbed data distribution, that is, higher-order score functions. In practice, only Jacobian-vector products (JVPs) are required and we propose to extract them from the first-order score network via automatic differentiation. We then distill the JVPs into a separate neural network that allows us to efficiently compute the necessary higher-order terms for our novel sampler during synthesis. We only need to train a small additional head on top of the first-order score network. We validate GENIE on multiple image generation benchmarks and demonstrate that GENIE outperforms all previous solvers. Unlike recent methods that fundamentally alter the generation process in DDMs, our GENIE solves the true generative DE and still enables applications such as encoding and guided …
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In recent years, machine learning models have been shown to be vulnerable to backdoor attacks. Under such attacks, an adversary embeds a stealthy backdoor into the trained model such that the compromised models will behave normally on clean inputs but will misclassify according to the adversary's control on maliciously constructed input with a trigger. While these existing attacks are very effective, the adversary's capability is limited: given an input, these attacks can only cause the model to misclassify toward a single pre-defined or target class. In contrast, this paper exploits a novel backdoor attack with a much more powerful payload, denoted as Marksman, where the adversary can arbitrarily choose which target class the model will misclassify given any input during inference. To achieve this goal, we propose to represent the trigger function as a class-conditional generative model and to inject the backdoor in a constrained optimization framework, where the trigger function learns to generate an optimal trigger pattern to attack any target class at will while simultaneously embedding this generative backdoor into the trained model. Given the learned trigger-generation function, during inference, the adversary can specify an arbitrary backdoor attack target class, and an appropriate trigger causing the model to …
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Classification is one of the most important problems in machine learning and the nature of it is concept cognition. So far, dozens of different classifiers have been designed. Although their working mechanisms vary widely, few of them fully consider concept cognition. In this paper, a new learning machine, fuzzy learning machine (FLM), is proposed from the perspective of concept cognition. Inspired by cognitive science, its working mechanism is of strong interpretability. At the same time, FLM roots in set theory and fuzzy set theory, so FLM has a solid mathematical foundation. The systematic experimental results on a large number of data sets show that FLM can achieve excellent performance, even with the simple implementation.
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We present Second Thoughts, a new learning paradigm that enables language models (LMs) to re-align with human values. By modeling the chain-of-edits between value-unaligned and value-aligned text, with LM fine-tuning and additional refinement through reinforcement learning, Second Thoughts not only achieves superior performance in three value alignment benchmark datasets but also shows strong human-value transfer learning ability in few-shot scenarios. The generated editing steps also offer better interpretability and ease for interactive error correction. Extensive human evaluations further confirm its effectiveness.
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Dense video understanding requires answering several questions such as who is doing what to whom, with what, how, why, and where. Recently, Video Situation Recognition (VidSitu) is framed as a task for structured prediction of multiple events, their relationships, and actions and various verb-role pairs attached to descriptive entities. This task poses several challenges in identifying, disambiguating, and co-referencing entities across multiple verb-role pairs, but also faces some challenges of evaluation. In this work, we propose the addition of spatio-temporal grounding as an essential component of the structured prediction task in a weakly supervised setting, and present a novel three stage Transformer model, VideoWhisperer, that is empowered to make joint predictions. In stage one, we learn contextualised embeddings for video features in parallel with key objects that appear in the video clips to enable fine-grained spatio-temporal reasoning. The second stage sees verb-role queries attend and pool information from object embeddings, localising answers to questions posed about the action. The final stage generates these answers as captions to describe each verb-role pair present in the video. Our model operates on a group of events (clips) simultaneously and predicts verbs, verb-role pairs, their nouns, and their grounding on-the-fly. When evaluated on a …
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Computer simulations have proven a valuable tool for understanding complex phenomena across the sciences. However, the utility of simulators for modelling and forecasting purposes is often restricted by low data quality, as well as practical limits to model fidelity. In order to circumvent these difficulties, we argue that modellers must treat simulators as idealistic representations of the true data generating process, and consequently should thoughtfully consider the risk of model misspecification. In this work we revisit neural posterior estimation (NPE), a class of algorithms that enable black-box parameter inference in simulation models, and consider the implication of a simulation-to-reality gap. While recent works have demonstrated reliable performance of these methods, the analyses have been performed using synthetic data generated by the simulator model itself, and have therefore only addressed the well-specified case. In this paper, we find that the presence of misspecification, in contrast, leads to unreliable inference when NPE is used naïvely. As a remedy we argue that principled scientific inquiry with simulators should incorporate a model criticism component, to facilitate interpretable identification of misspecification and a robust inference component, to fit ‘wrong but useful’ models. We propose robust neural posterior estimation (RNPE), an extension of NPE to simultaneously …
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Offline reinforcement learning (RL) aims to find performant policies from logged data without further environment interaction. Model-based algorithms, which learn a model of the environment from the dataset and perform conservative policy optimisation within that model, have emerged as a promising approach to this problem. In this work, we present Robust Adversarial Model-Based Offline RL (RAMBO), a novel approach to model-based offline RL. We formulate the problem as a two-player zero sum game against an adversarial environment model. The model is trained to minimise the value function while still accurately predicting the transitions in the dataset, forcing the policy to act conservatively in areas not covered by the dataset. To approximately solve the two-player game, we alternate between optimising the policy and adversarially optimising the model. The problem formulation that we address is theoretically grounded, resulting in a probably approximately correct (PAC) performance guarantee and a pessimistic value function which lower bounds the value function in the true environment. We evaluate our approach on widely studied offline RL benchmarks, and demonstrate that it outperforms existing state-of-the-art baselines.
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In this paper, we propose a new method for knowledge base completion (KBC): instance-based learning (IBL). For example, to answer (Jill Biden, lived city,? ), instead of going directly to Washington D.C., our goal is to find Joe Biden, who has the same lived city as Jill Biden. Through prototype entities, IBL provides interpretability. We develop theories for modeling prototypes and combining IBL with translational models. Experiments on various tasks confirmed the IBL model's effectiveness and interpretability.In addition, IBL shed light on the mechanism of rule-based KBC models. Previous research has generally agreed that rule-based models provide rules with semantically compatible premise and hypothesis. We challenge this view. We begin by demonstrating that some logical rules represent {\it instance-based equivalence} (i.e. prototypes) rather than semantic compatibility. These are denoted as {\it IBL rules}. Surprisingly, despite occupying only a small portion of the rule space, IBL rules outperform non-IBL rules in all four benchmarks. %KBC can be achieved using only IBL rules in two benchmarks without sacrificing effectiveness. We use a variety of experiments to demonstrate that rule-based models work because they have the ability to represent instance-based equivalence via IBL rules. The findings provide new insights of how rule-based models …
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Principal Components Analysis (PCA) is a dimension-reduction technique widely used in machine learning and statistics. However, due to the dependence of the principal components on all the dimensions, the components are notoriously hard to interpret. Therefore, a variant known as sparse PCA is often preferred. Sparse PCA learns principal components of the data but enforces that such components must be sparse. This has applications in diverse fields such as computational biology and image processing. To learn sparse principal components, it's well known that standard PCA will not work, especially in high dimensions, and therefore algorithms for sparse PCA are often studied as a separate endeavor. Various algorithms have been proposed for Sparse PCA over the years, but given how fundamental it is for applications in science, the limits of efficient algorithms are only partially understood. In this work, we study the limits of the powerful Sum of Squares (SoS) family of algorithms for Sparse PCA. SoS algorithms have recently revolutionized robust statistics, leading to breakthrough algorithms for long-standing open problems in machine learning, such as optimally learning mixtures of gaussians, robust clustering, robust regression, etc. Moreover, it is believed to be the optimal robust algorithm for many statistical problems. Therefore, …
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Successful applications of InfoNCE (Information Noise-Contrastive Estimation) and its variants have popularized the use of contrastive variational mutual information (MI) estimators in machine learning . While featuring superior stability, these estimators crucially depend on costly large-batch training, and they sacrifice bound tightness for variance reduction. To overcome these limitations, we revisit the mathematics of popular variational MI bounds from the lens of unnormalized statistical modeling and convex optimization. Our investigation yields a new unified theoretical framework encompassing popular variational MI bounds, and leads to a novel, simple, and powerful contrastive MI estimator we name FLO. Theoretically, we show that the FLO estimator is tight, and it converges under stochastic gradient descent. Empirically, the proposed FLO estimator overcomes the limitations of its predecessors and learns more efficiently. The utility of FLO is verified using extensive benchmarks, and we further inspire the community with novel applications in meta-learning. Our presentation underscores the foundational importance of variational MI estimation in data-efficient learning.
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We present a rotated hyperbolic wrapped normal distribution (RoWN), a simple yet effective alteration of a hyperbolic wrapped normal distribution (HWN). The HWN expands the domain of probabilistic modeling from Euclidean to hyperbolic space, where a tree can be embedded with arbitrary low distortion in theory. In this work, we analyze the geometric properties of the diagonal HWN, a standard choice of distribution in probabilistic modeling. The analysis shows that the distribution is inappropriate to represent the data points at the same hierarchy level through their angular distance with the same norm in the Poincar\'e disk model. We then empirically verify the presence of limitations of HWN, and show how RoWN, the proposed distribution, can alleviate the limitations on various hierarchical datasets, including noisy synthetic binary tree, WordNet, and Atari 2600 Breakout. The code is available at https://github.com/ml-postech/RoWN.
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Identifying the effects of new interventions from data is a significant challenge found across a wide range of the empirical sciences. A well-known strategy for identifying such effects is Pearl's front-door (FD) criterion. The definition of the FD criterion is declarative, only allowing one to decide whether a specific set satisfies the criterion. In this paper, we present algorithms for finding and enumerating possible sets satisfying the FD criterion in a given causal diagram. These results are useful in facilitating the practical applications of the FD criterion for causal effects estimation and helping scientists to select estimands with desired properties, e.g., based on cost, feasibility of measurement, or statistical power.
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Currently deployed public-key cryptosystems will be vulnerable to attacks by full-scale quantum computers. Consequently, "quantum resistant" cryptosystems are in high demand, and lattice-based cryptosystems, based on a hard problem known as Learning With Errors (LWE), have emerged as strong contenders for standardization. In this work, we train transformers to perform modular arithmetic and mix half-trained models and statistical cryptanalysis techniques to propose SALSA: a machine learning attack on LWE-based cryptographic schemes. SALSA can fully recover secrets for small-to-mid size LWE instances with sparse binary secrets, and may scale to attack real world LWE-based cryptosystems.
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Differentiation along algorithms, i.e., piggyback propagation of derivatives, is now routinely used to differentiate iterative solvers in differentiable programming. Asymptotics is well understood for many smooth problems but the nondifferentiable case is hardly considered. Is there a limiting object for nonsmooth piggyback automatic differentiation (AD)? Does it have any variational meaning and can it be used effectively in machine learning? Is there a connection with classical derivative? All these questions are addressed under appropriate contractivity conditions in the framework of conservative derivatives which has proved useful in understanding nonsmooth AD. For nonsmooth piggyback iterations, we characterize the attractor set of nonsmooth piggyback iterations as a set-valued fixed point which remains in the conservative framework. This has various consequences and in particular almost everywhere convergence of classical derivatives. Our results are illustrated on parametric convex optimization problems with forward-backward, Douglas-Rachford and Alternating Direction of Multiplier algorithms as well as the Heavy-Ball method.
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We propose \textbf{JAWS}, a series of wrapper methods for distribution-free uncertainty quantification tasks under covariate shift, centered on the core method \textbf{JAW}, the \textbf{JA}ckknife+ \textbf{W}eighted with data-dependent likelihood-ratio weights. JAWS also includes computationally efficient \textbf{A}pproximations of JAW using higher-order influence functions: \textbf{JAWA}. Theoretically, we show that JAW relaxes the jackknife+'s assumption of data exchangeability to achieve the same finite-sample coverage guarantee even under covariate shift. JAWA further approaches the JAW guarantee in the limit of the sample size or the influence function order under common regularity assumptions. Moreover, we propose a general approach to repurposing predictive interval-generating methods and their guarantees to the reverse task: estimating the probability that a prediction is erroneous, based on user-specified error criteria such as a safe or acceptable tolerance threshold around the true label. We then propose \textbf{JAW-E} and \textbf{JAWA-E} as the repurposed proposed methods for this \textbf{E}rror assessment task. Practically, JAWS outperform state-of-the-art predictive inference baselines in a variety of biased real world data sets for interval-generation and error-assessment predictive uncertainty auditing tasks.
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Similarity learning can be significantly advanced by informative relationships among different samples and features. The current methods try to excavate the multiple correlations in different aspects, but cannot integrate them into a unified framework. In this paper, we provide to consider the multiple correlations from a unified perspective and propose a new method called MetricFormer, which can effectively capture and model the multiple correlations with an elaborate metric transformer. In MetricFormer, the feature decoupling block is adopted to learn an ensemble of distinct and diverse features with different discriminative characteristics. After that, we apply the batch-wise correlation block into the batch dimension of each mini-batch to implicitly explore sample relationships. Finally, the feature-wise correlation block is performed to discover the intrinsic structural pattern of the ensemble of features and obtain the aggregated feature embedding for similarity measuring. With three kinds of transformer blocks, we can learn more representative features through the proposed MetricFormer. Moreover, our proposed method can be flexibly integrated with any metric learning framework. Extensive experiments on three widely-used datasets demonstrate the superiority of our proposed method over state-of-the-art methods.
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We present a scalable approach for learning open-world object-goal navigation (ObjectNav) – the task of asking a virtual robot (agent) to find any instance of an object in an unexplored environment (e.g., “find a sink”). Our approach is entirely zero-shot – i.e., it does not require ObjectNav rewards or demonstrations of any kind. Instead, we train on the image-goal navigation (ImageNav) task, in which agents find the location where a picture (i.e., goal image) was captured. Specifically, we encode goal images into a multimodal, semantic embedding space to enable training semantic-goal navigation (SemanticNav) agents at scale in unannotated 3D environments (e.g., HM3D). After training, SemanticNav agents can be instructed to find objects described in free-form natural language (e.g., “sink,” “bathroom sink,” etc.) by projecting language goals into the same multimodal, semantic embedding space. As a result, our approach enables open-world ObjectNav. We extensively evaluate our agents on three ObjectNav datasets (Gibson, HM3D, and MP3D) and observe absolute improvements in success of 4.2% - 20.0% over existing zero-shot methods. For reference, these gains are similar or better than the 5% improvement in success between the Habitat 2020 and 2021 ObjectNav challenge winners. In an open-world setting, we discover that our agents …
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Machine Learning models are often susceptible to poor performance on instances sampled from bad environments. For example, an image classifier could provide low accuracy on images captured under low lighting conditions. In high stake ML applications, such as AI-driven medical diagnostics, a better option could be to provide recourse in the form of alternative environment settings in which to recapture the instance for more reliable diagnostics. In this paper, we propose a model called {\em RecourseNet} that learns to apply recourse on the space of environments so that the recoursed instances are amenable to better predictions by the classifier. Learning to output optimal recourse is challenging because we do not assume access to the underlying physical process that generates the recoursed instances. Also, the optimal setting could be instance-dependent --- for example the best camera angle for object recognition could be a function of the object's shape. We propose a novel three-level training method that (a) Learns a classifier that is optimized for high performance under recourse, (b) Learns a recourse predictor when the training data may contain only limited instances under good environment settings, and (c) Triggers recourse selectively only when recourse is likely to improve classifier confidence.
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Identifying unfamiliar inputs, also known as out-of-distribution (OOD) detection, is a crucial property of any decision making process. A simple and empirically validated technique is based on deep ensembles where the variance of predictions over different neural networks acts as a substitute for input uncertainty. Nevertheless, a theoretical understanding of the inductive biases leading to the performance of deep ensemble's uncertainty estimation is missing. To improve our description of their behavior, we study deep ensembles with large layer widths operating in simplified linear training regimes, in which the functions trained with gradient descent can be described by the neural tangent kernel. We identify two sources of noise, each inducing a distinct inductive bias in the predictive variance at initialization. We further show theoretically and empirically that both noise sources affect the predictive variance of non-linear deep ensembles in toy models and realistic settings after training. Finally, we propose practical ways to eliminate part of these noise sources leading to significant changes and improved OOD detection in trained deep ensembles.
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Recently, Miller et al. showed that a model's in-distribution (ID) accuracy has a strong linear correlation with its out-of-distribution (OOD) accuracy, on several OOD benchmarks, a phenomenon they dubbed ``accuracy-on-the-line''. While a useful tool for model selection (i.e., the model most likely to perform the best OOD is the one with highest ID accuracy), this fact does not help to estimate the actual OOD performance of models without access to a labeled OOD validation set. In this paper, we show a similar surprising phenomena also holds for the agreement between pairs of neural network classifiers: whenever accuracy-on-the-line holds, we observe that the OOD agreement between the predictions of any two pairs of neural networks (with potentially different architectures) also observes a strong linear correlation with their ID agreement. Furthermore, we observe that the slope and bias of OOD vs ID agreement closely matches that of OOD vs ID accuracy. This phenomenon which we call agreement-on-the-line, has important practical applications: without any labeled data, we can predict the OOD accuracy of classifiers, since OOD agreement can be estimated with just unlabeled data. Our prediction algorithm outperforms previous methods both in shifts where agreement-on-the-line holds and, surprisingly, when accuracy is not on …
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We consider the classic facility location problem in fully dynamic data streams, where elements can be both inserted and deleted. In this problem, one is interested in maintaining a stable and high quality solution throughout the data stream while using only little time per update (insertion or deletion). We study the problem and provide the first algorithm that at the same time maintains a constant approximation and incurs polylogarithmic amortized recourse per update. We complement our theoretical results with an experimental analysis showing the practical efficiency of our method.
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Action recognition has improved dramatically with massive-scale video datasets. Yet, these datasets are accompanied with issues related to curation cost, privacy, ethics, bias, and copyright. Compared to that, only minor efforts have been devoted toward exploring the potential of synthetic video data. In this work, as a stepping stone towards addressing these shortcomings, we study the transferability of video representations learned solely from synthetically-generated video clips, instead of real data. We propose SynAPT, a novel benchmark for action recognition based on a combination of existing synthetic datasets, in which a model is pre-trained on synthetic videos rendered by various graphics simulators, and then transferred to a set of downstream action recognition datasets, containing different categories than the synthetic data. We provide an extensive baseline analysis on SynAPT revealing that the simulation-to-real gap is minor for datasets with low object and scene bias, where models pre-trained with synthetic data even outperform their real data counterparts. We posit that the gap between real and synthetic action representations can be attributed to contextual bias and static objects related to the action, instead of the temporal dynamics of the action itself. The SynAPT benchmark is available at https://github.com/mintjohnkim/SynAPT.
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As shown by recent studies, machine intelligence-enabled systems are vulnerable to test cases resulting from either adversarial manipulation or natural distribution shifts. This has raised great concerns about deploying machine learning algorithms for real-world applications, especially in safety-critical domains such as autonomous driving (AD). On the other hand, traditional AD testing on naturalistic scenarios requires hundreds of millions of driving miles due to the high dimensionality and rareness of the safety-critical scenarios in the real world. As a result, several approaches for autonomous driving evaluation have been explored, which are usually, however, based on different simulation platforms, types of safety-critical scenarios, scenario generation algorithms, and driving route variations. Thus, despite a large amount of effort in autonomous driving testing, it is still challenging to compare and understand the effectiveness and efficiency of different testing scenario generation algorithms and testing mechanisms under similar conditions. In this paper, we aim to provide the first unified platform SafeBench to integrate different types of safety-critical testing scenarios, scenario generation algorithms, and other variations such as driving routes and environments. In particular, we consider 8 safety-critical testing scenarios following National Highway Traffic Safety Administration (NHTSA) and develop 4 scenario generation algorithms considering 10 variations for …
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Recent research has demonstrated the capability of behavior signals captured by smartphones and wearables for longitudinal behavior modeling. However, there is a lack of a comprehensive public dataset that serves as an open testbed for fair comparison among algorithms. Moreover, prior studies mainly evaluate algorithms using data from a single population within a short period, without measuring the cross-dataset generalizability of these algorithms. We present the first multi-year passive sensing datasets, containing over 700 user-years and 497 unique users’ data collected from mobile and wearable sensors, together with a wide range of well-being metrics. Our datasets can support multiple cross-dataset evaluations of behavior modeling algorithms’ generalizability across different users and years. As a starting point, we provide the benchmark results of 18 algorithms on the task of depression detection. Our results indicate that both prior depression detection algorithms and domain generalization techniques show potential but need further research to achieve adequate cross-dataset generalizability. We envision our multi-year datasets can support the ML community in developing generalizable longitudinal behavior modeling algorithms.
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Universal self-supervised (SSL) algorithms hold enormous promise for making machine learning accessible to high-impact domains such as protein biology, manufacturing, and genomics. We present DABS 2.0: a set of improved datasets and algorithms for advancing research on universal SSL. We extend the recently-introduced DABS benchmark with the addition of five real-world science and engineering domains: protein biology, bacterial genomics, multispectral satellite imagery, semiconductor wafers, and particle physics, bringing the total number of domains in the benchmark to twelve. We also propose a new universal SSL algorithm, Capri, and a generalized version of masked autoencoding, and apply both on all twelve domains---the most wide-ranging exploration of SSL yet. We find that multiple algorithms show gains across domains, outperforming previous baselines. In addition, we demonstrate the usefulness of DABS for scientific study of SSL by investigating the optimal corruption rate for each algorithm, showing that the best setting varies based on the domain. Code will be released at http://github.com/alextamkin/dabs}{http://github.com/alextamkin/dabs
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Out-of-distribution (OOD) learning deals with scenarios in which training and test data follow different distributions. Although general OOD problems have been intensively studied in machine learning, graph OOD is only an emerging area of research. Currently, there lacks a systematic benchmark tailored to graph OOD method evaluation. In this work, we aim at developing an OOD benchmark, known as GOOD, for graphs specifically. We explicitly make distinctions between covariate and concept shifts and design data splits that accurately reflect different shifts. We consider both graph and node prediction tasks as there are key differences in designing shifts. Overall, GOOD contains 11 datasets with 17 domain selections. When combined with covariate, concept, and no shifts, we obtain 51 different splits. We provide performance results on 10 commonly used baseline methods with 10 random runs. This results in 510 dataset-model combinations in total. Our results show significant performance gaps between in-distribution and OOD settings. Our results also shed light on different performance trends between covariate and concept shifts by different methods. Our GOOD benchmark is a growing project and expects to expand in both quantity and variety of resources as the area develops. The GOOD benchmark can be accessed via https://github.com/divelab/GOOD/.
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Analyzing the distribution shift of data is a growing research direction in nowadays Machine Learning (ML), leading to emerging new benchmarks that focus on providing a suitable scenario for studying the generalization properties of ML models. The existing benchmarks are focused on supervised learning, and to the best of our knowledge, there is none for unsupervised learning. Therefore, we introduce an unsupervised anomaly detection benchmark with data that shifts over time, built over Kyoto-2006+, a traffic dataset for network intrusion detection. This type of data meets the premise of shifting the input distribution: it covers a large time span (10 years), with naturally occurring changes over time (e.g. users modifying their behavior patterns, and software updates). We first highlight the non-stationary nature of the data, using a basic per-feature analysis, t-SNE, and an Optimal Transport approach for measuring the overall distribution distances between years. Next, we propose AnoShift, a protocol splitting the data in IID, NEAR, and FAR testing splits. We validate the performance degradation over time with diverse models, ranging from classical approaches to deep learning. Finally, we show that by acknowledging the distribution shift problem and properly addressing it, the performance can be improved compared to the classical …
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Autonomous agents have made great strides in specialist domains like Atari games and Go. However, they typically learn tabula rasa in isolated environments with limited and manually conceived objectives, thus failing to generalize across a wide spectrum of tasks and capabilities. Inspired by how humans continually learn and adapt in the open world, we advocate a trinity of ingredients for building generalist agents: 1) an environment that supports a multitude of tasks and goals, 2) a large-scale database of multimodal knowledge, and 3) a flexible and scalable agent architecture. We introduce MineDojo, a new framework built on the popular Minecraft game that features a simulation suite with thousands of diverse open-ended tasks and an internet-scale knowledge base with Minecraft videos, tutorials, wiki pages, and forum discussions. Using MineDojo's data, we propose a novel agent learning algorithm that leverages large pre-trained video-language models as a learned reward function. Our agent is able to solve a variety of open-ended tasks specified in free-form language without any manually designed dense shaping reward. We open-source the simulation suite, knowledge bases, algorithm implementation, and pretrained models (https://minedojo.org) to promote research towards the goal of generally capable embodied agents.
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There has been significant progress in developing reinforcement learning (RL) training systems. Past works such as IMPALA, Apex, Seed RL, Sample Factory, and others, aim to improve the system's overall throughput. In this paper, we aim to address a common bottleneck in the RL training system, i.e., parallel environment execution, which is often the slowest part of the whole system but receives little attention. With a curated design for paralleling RL environments, we have improved the RL environment simulation speed across different hardware setups, ranging from a laptop and a modest workstation, to a high-end machine such as NVIDIA DGX-A100. On a high-end machine, EnvPool achieves one million frames per second for the environment execution on Atari environments and three million frames per second on MuJoCo environments. When running EnvPool on a laptop, the speed is 2.8x that of the Python subprocess. Moreover, great compatibility with existing RL training libraries has been demonstrated in the open-sourced community, including CleanRL, rl_games, DeepMind Acme, etc. Finally, EnvPool allows researchers to iterate their ideas at a much faster pace and has great potential to become the de facto RL environment execution engine. Example runs show that it only takes five minutes to train …
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Hand, the bearer of human productivity and intelligence, is receiving much attention due to the recent fever of digital twins. Among different hand morphable models, MANO has been widely used in vision and graphics community. However, MANO disregards textures and accessories, which largely limits its power to synthesize photorealistic hand data. In this paper, we extend MANO with Diverse Accessories and Rich Textures, namely DART. DART is composed of 50 daily 3D accessories which varies in appearance and shape, and 325 hand-crafted 2D texture maps covers different kinds of blemishes or make-ups. Unity GUI is also provided to generate synthetic hand data with user-defined settings, e.g., pose, camera, background, lighting, textures, and accessories. Finally, we release DARTset, which contains large-scale (800K), high-fidelity synthetic hand images, paired with perfect-aligned 3D labels. Experiments demonstrate its superiority in diversity. As a complement to existing hand datasets, DARTset boosts the generalization in both hand pose estimation and mesh recovery tasks. Raw ingredients (textures, accessories), Unity GUI, source code and DARTset are publicly available at dart2022.github.io.
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We introduce HandMeThat, a benchmark for a holistic evaluation of instruction understanding and following in physical and social environments. While previous datasets primarily focused on language grounding and planning, HandMeThat considers the resolution of human instructions with ambiguities based on the physical (object states and relations) and social (human actions and goals) information. HandMeThat contains 10,000 episodes of human-robot interactions. In each episode, the robot first observes a trajectory of human actions towards her internal goal. Next, the robot receives a human instruction and should take actions to accomplish the subgoal set through the instruction. In this paper, we present a textual interface for our benchmark, where the robot interacts with a virtual environment through textual commands. We evaluate several baseline models on HandMeThat, and show that both offline and online reinforcement learning algorithms perform poorly on HandMeThat, suggesting significant room for future work on physical and social human-robot communications and interactions.
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It is crucial that image datasets for computer vision are representative and contain accurate demographic information to ensure their robustness and fairness, especially for smaller subpopulations. To address this issue, we present Dollar Street - a supervised dataset that contains 38,479 images of everyday household items from homes around the world. This dataset was manually curated and fully labeled, including tags for objects (e.g. “toilet,” “toothbrush,” “stove”) and demographic data such as region, country and home monthly income. This dataset includes images from homes with no internet access and incomes as low as \$26.99 per month, visually capturing valuable socioeconomic diversity of traditionally under-represented populations. All images and data are licensed under CC-BY, permitting their use in academic and commercial work. Moreover, we show that this dataset can improve the performance of classification tasks for images of household items from lower income homes, addressing a critical need for datasets that combat bias.
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The promise of Mobile Health (mHealth) is the ability to use wearable sensors to monitor participant physiology at high frequencies during daily life to enable temporally-precise health interventions. However, a major challenge is frequent missing data. Despite a rich imputation literature, existing techniques are ineffective for the pulsative signals which comprise many mHealth applications, and a lack of available datasets has stymied progress. We address this gap with PulseImpute, the first large-scale pulsative signal imputation challenge which includes realistic mHealth missingness models, an extensive set of baselines, and clinically-relevant downstream tasks. Our baseline models include a novel transformer-based architecture designed to exploit the structure of pulsative signals. We hope that PulseImpute will enable the ML community to tackle this important and challenging task.
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Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. Then, we evaluate them on spring, pendulum, and gravitational and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.
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It is well-known in the video understanding community that human action recognition models suffer from background bias, i.e., over-relying on scene cues in making their predictions. However, it is difficult to quantify this effect using existing evaluation frameworks. We introduce the Human-centric Analysis Toolkit (HAT), which enables evaluation of learned background bias without the need for new manual video annotation. It does so by automatically generating synthetically manipulated videos and leveraging the recent advances in image segmentation and video inpainting. Using HAT we perform an extensive analysis of 74 action recognition models trained on the Kinetics dataset. We confirm that all these models focus more on the scene background than on the human motion; further, we demonstrate that certain model design decisions (such as training with fewer frames per video or using dense as opposed to uniform temporal sampling) appear to worsen the background bias. We open-source HAT to enable the community to design more robust and generalizable human action recognition models.
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With the advent of large language models, methods for abstractive summarization have made great strides, creating potential for use in applications to aid knowledge workers processing unwieldy document collections. One such setting is the Civil Rights Litigation Clearinghouse (CRLC, https://clearinghouse.net), which posts information about large-scale civil rights lawsuits, serving lawyers, scholars, and the general public. Today, summarization in the CRLC requires extensive training of lawyers and law students who spend hours per case understanding multiple relevant documents in order to produce high-quality summaries of key events and outcomes. Motivated by this ongoing real-world summarization effort, we introduce Multi-LexSum, a collection of 9,280 expert-authored summaries drawn from ongoing CRLC writing. Multi-LexSum presents a challenging multi-document summarization task given the length of the source documents, often exceeding two hundred pages per case. Furthermore, Multi-LexSum is distinct from other datasets in its multiple target summaries, each at a different granularity (ranging from one-sentence "extreme" summaries to multi-paragraph narrations of over five hundred words). We present extensive analysis demonstrating that despite the high-quality summaries in the training data (adhering to strict content and style guidelines), state-of-the-art summarization models perform poorly on this task. We release Multi-LexSum for further summarization research and to facilitate the …
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According to World Health Organization, there is an estimated 2.2 billion people with a near or distance vision impairment worldwide. Difficulty in self-navigation is one of the greatest challenges to independence for the blind and low vision (BLV) people. Through consultations with several BLV service providers, we realized that negotiating surface discontinuities is one of the very prominent challenges when navigating an outdoor environment within the urban. Surface discontinuities are commonly formed by rises and drop-offs along a pathway. They could be a threat to balancing during a walk and perceiving such a threat is highly challenging to the BLVs. In this paper, we introduce SurDis, a novel dataset of depth maps and stereo images that exemplifies the issue of surface discontinuity in the urban areas of Klang Valley, Malaysia. We seek to address the limitation of existing datasets of such nature in these areas. Current mobility tools for the BLVs predominantly focus on furniture, indoor built environments, traffic signs, vehicles, humans and various types of objects' detection above the surface of a pathway. We emphasize a specific purpose for SurDis – to support the development of assistive wearable technology for the BLVs to negotiate surface discontinuity. We consulted BLV …
[ Hall J ]

We describe a customizable benchmark for hierarchical and ontological multi-label classification, a task where labels are equipped with a graph structure and data items can be assigned multiple labels. We find that current benchmarks do not adequately represent the problem space, casting doubt on the generalizability of current results. We consider three dimensions of the problem space: context (availability of rich features on the data and labels), distribution of labels over data, and graph structure. For context, the lack of complex features on the labels (and in some cases, the data) artificially prevent the use of modern representation learning techniques as an appropriate baseline. For distribution, we find the long tail of labels over data constitute a few-shot learning problem that artificially confounds the results: for most common benchmarks, over 40% of the labels have fewer than 5 data points in the training set. For structure, we find that the correlation between performance and the height of the tree can explain some of the variation in performance, informing practical utility. In this paper, we demonstrate how the lack of diversity in benchmarks can confound performance analysis, then present a declarative query system called Ontologue for generating custom benchmarks with specific …
[ Hall J ]
Automatic action identification from video and kinematic data is an important machine learning problem with applications ranging from robotics to smart health. Most existing works focus on identifying coarse actions such as running, climbing, or cutting vegetables, which have relatively long durations and a complex series of motions. This is an important limitation for applications that require identification of more elemental motions at high temporal resolution. For example, in the rehabilitation of arm impairment after stroke, quantifying the training dose (number of repetitions) requires differentiating motions with sub-second durations. Our goal is to bridge this gap. To this end, we introduce a large-scale, multimodal dataset, StrokeRehab, as a new action-recognition benchmark that includes elemental short-duration actions labeled at a high temporal resolution. StrokeRehab consists of a high-quality inertial measurement unit sensor and video data of 51 stroke-impaired patients and 20 healthy subjects performing activities of daily living like feeding, brushing teeth, etc. Because it contains data from both healthy and impaired individuals, StrokeRehab can be used to study the influence of distribution shift in action-recognition tasks. When evaluated on StrokeRehab, current state-of-the-art models for action segmentation produce noisy predictions, which reduces their accuracy in identifying the corresponding sequence of actions. …
[ Hall J ]

Keyphrases are an important tool for efficiently dealing with the ever-increasing amount of information present on the internet. While there are many recent papers on English keyphrase generation, keyphrase generation for other languages remains vastly understudied, mostly due to the absence of datasets. To address this, we present a novel dataset called Papyrus, composed of 16427 pairs of abstracts and keyphrases. We release four versions of this dataset, corresponding to different subtasks. Papyrus-e considers only English keyphrases, Papyrus-f considers French keyphrases, Papyrus-m considers keyphrase generation in any language (mostly French and English), and Papyrus-a considers keyphrase generation in several languages. We train a state-of-the-art model on all four tasks and show that they lead to better results for non-English languages, with an average improvement of 14.2\% on keyphrase extraction and 2.0\% on generation. We also show an improvement of 0.4\% on extraction and 0.7\% on generation over English state-of-the-art results by concatenating Papyrus-e with the Kp20K training set.
[ Hall J ]
[ Hall J ]

Commercial adoption of automatic music composition requires the capability of generating diverse and high-quality music suitable for the desired context (e.g., music for romantic movies, action games, restaurants, etc.). In this paper, we introduce combinatorial music generation, a new task to create varying background music based on given conditions. Combinatorial music generation creates short samples of music with rich musical metadata, and combines them to produce a complete music. In addition, we introduce ComMU, the first symbolic music dataset consisting of short music samples and their corresponding 12 musical metadata for combinatorial music generation. Notable properties of ComMU are that (1) dataset is manually constructed by professional composers with an objective guideline that induces regularity, and (2) it has 12 musical metadata that embraces composers' intentions. Our results show that we can generate diverse high-quality music only with metadata, and that our unique metadata such as track-role and extended chord quality improves the capacity of the automatic composition. We highly recommend watching our video before reading the paper (https://pozalabs.github.io/ComMU/).
[ Hall J ]
As language models grow ever larger, the need for large-scale high-quality text datasets has never been more pressing, especially in multilingual settings. The BigScience workshop, a 1-year international and multidisciplinary initiative, was formed with the goal of researching and training large language models as a values-driven undertaking, putting issues of ethics, harm, and governance in the foreground. This paper documents the data creation and curation efforts undertaken by BigScience to assemble the Responsible Open-science Open-collaboration Text Sources (ROOTS) corpus, a 1.6TB dataset spanning 59 languages that was used to train the 176-billion-parameter BigScience Large Open-science Open-access Multilingual (BLOOM) language model. We further release a large initial subset of the corpus and analyses thereof, and hope to empower large-scale monolingual and multilingual modeling projects with both the data and the processing tools, as well as stimulate research around this large multilingual corpus.
[ Hall J ]

The availability of compute and data to train larger and larger language models increases the demand for robust methods of benchmarking the true progress of LM training. Recent years witnessed significant progress in standardized benchmarking for English. Benchmarks such as GLUE, SuperGLUE, or KILT have become a de facto standard tools to compare large language models. Following the trend to replicate GLUE for other languages, the KLEJ benchmark\ (klej is the word for glue in Polish) has been released for Polish. In this paper, we evaluate the progress in benchmarking for low-resourced languages. We note that only a handful of languages have such comprehensive benchmarks. We also note the gap in the number of tasks being evaluated by benchmarks for resource-rich English/Chinese and the rest of the world.In this paper, we introduce LEPISZCZE (lepiszcze is the Polish word for glew, the Middle English predecessor of glue), a new, comprehensive benchmark for Polish NLP with a large variety of tasks and high-quality operationalization of the benchmark.We design LEPISZCZE with flexibility in mind. Including new models, datasets, and tasks is as simple as possible while still offering data versioning and model tracking. In the first run of the benchmark, we test 13 …
[ Hall J ]

Artificial lights commonly leave strong lens flare artifacts on images captured at night. Nighttime flare not only affects the visual quality but also degrades the performance of vision algorithms. Existing flare removal methods mainly focus on removing daytime flares and fail in nighttime. Nighttime flare removal is challenging because of the unique luminance and spectrum of artificial lights and the diverse patterns and image degradation of the flares captured at night. The scarcity of nighttime flare removal datasets limits the research on this crucial task. In this paper, we introduce, Flare7K, the first nighttime flare removal dataset, which is generated based on the observation and statistics of real-world nighttime lens flares. It offers 5,000 scattering and 2,000 reflective flare images, consisting of 25 types of scattering flares and 10 types of reflective flares. The 7,000 flare patterns can be randomly added to flare-free images, forming the flare-corrupted and flare-free image pairs. With the paired data, we can train deep models to restore flare-corrupted images taken in the real world effectively. Apart from abundant flare patterns, we also provide rich annotations, including the labeling of light source, glare with shimmer, reflective flare, and streak, which are commonly absent from existing datasets. …
[ Hall J ]
Online Tensor Factorization (OTF) is a fundamental tool in learning low-dimensional interpretable features from streaming multi-modal data. While various algorithmic and theoretical aspects of OTF have been investigated recently, a general convergence guarantee to stationary points of the objective function without any incoherence or sparsity assumptions is still lacking even for the i.i.d. case. In this work, we introduce a novel algorithm that learns a CANDECOMP/PARAFAC (CP) basis from a given stream of tensor-valued data under general constraints, including nonnegativity constraints that induce interpretability of the learned CP basis. We prove that our algorithm converges almost surely to the set of stationary points of the objective function under the hypothesis that the sequence of data tensors is generated by an underlying Markov chain. Our setting covers the classical i.i.d. case as well as a wide range of application contexts including data streams generated by independent or MCMC sampling. Our result closes a gap between OTF and Online Matrix Factorization in global convergence analysis for CP-decompositions. Experimentally, we show that our algorithm converges much faster than standard algorithms for nonnegative tensor factorization tasks on both synthetic and real-world data. Also, we demonstrate the utility of our algorithm on a diverse set …
[ Hall J ]

We propose a new tool for visualizing complex, and potentially large and high-dimensional, data sets called Centroid-Encoder (CE). The architecture of the Centroid-Encoder is similar to the autoencoder neural network but it has a modified target, i.e., the class centroid in the ambient space. As such, CE incorporates label information and performs a supervised data visualization. The training of CE is done in the usual way with a training set whose parameters are tuned using a validation set. The evaluation of the resulting CE visualization is performed on a sequestered test set where the generalization of the model is assessed both visually and quantitatively. We present a detailed comparative analysis of the method using a wide variety of data sets and techniques, both supervised and unsupervised, including NCA, non-linear NCA, t-distributed NCA, t-distributed MCML, supervised UMAP, supervised PCA, Colored Maximum Variance Unfolding, supervised Isomap, Parametric Embedding, supervised Neighbor Retrieval Visualizer, and Multiple Relational Embedding. An analysis of variance using PCA demonstrates that a non-linear preprocessing by the CE transformation of the data captures more variance than PCA by dimension.
[ Hall J ]

[ Hall J ]

The rapid development of high-throughput technologies has enabled the generation of data from biological or disease processes that span multiple layers, like genomic, proteomic or metabolomic data, and further pertain to multiple sources, like disease subtypes or experimental conditions. In this work, we propose a general statistical framework based on Gaussian graphical models for horizontal (i.e. across conditions or subtypes) and vertical (i.e. across different layers containing data on molecular compartments) integration of information in such datasets. We start with decomposing the multi-layer problem into a series of two-layer problems. For each two-layer problem, we model the outcomes at a node in the lower layer as dependent on those of other nodes in that layer, as well as all nodes in the upper layer. We use a combination of neighborhood selection and group-penalized regression to obtain sparse estimates of all model parameters. Following this, we develop a debiasing technique and asymptotic distributions of inter-layer directed edge weights that utilize already computed neighborhood selection coefficients for nodes in the upper layer. Subsequently, we establish global and simultaneous testing procedures for these edge weights. Performance of the proposed methodology is evaluated on synthetic and real data.
[ Hall J ]

StylEx is a novel approach for classifier-conditioned training of StyleGan2, intending to capture classifier-specific attributes in its disentangled StyleSpace. Using the StylEx method, the behavior of a classifier can be explained and visualized by producing counterfactual images. The original authors, Lang et al., claim that its explanations are human-interpretable, distinct, coherent and sufficient to flip classifier predictions. Our replication efforts are five-fold: 1) As the training procedure and code were missing, we reimplemented the StylEx method in PyTorch to enable from the ground up reproducibility efforts of the original results. 2) We trained custom models on three datasets with a reduced image dimensionality to verify the original author’s claims. 3) We evaluate the Fréchet Inception Distance (FID) scores of generated images and show that the FID scores increase with the number of attributes used to generate a counterfactual explanation. 4) We conduct a user study (n=54) to evaluate the distinctiveness and coherence of the images, additionally we evaluate the ‘sufficiency’ scores of our models. 5) We release additional details on the training procedure of StylEx. Our experimental results support the claims posed in the original paper - the attributes detected by StylEx are identifiable by humans to a certain degree, …
[ Hall J ]

We attempt to reproduce the results of "DECAF: Generating Fair Synthetic Data Using Causally-Aware Generative Networks". The goal of the original paper is to create a model that takes as input a biased dataset and outputs a debiased synthetic dataset that can be used to train downstream models to make unbiased predictions both on synthetic and real data. We built upon the (incomplete) code provided by the authors to repeat the first experiment which involves removing existing bias from real data, and the second experiment where synthetically injected bias is added to real data and then removed. Overall, we find that the results are reproducible but difficult to interpret and compare because reproducing the experiments required rewriting or adding large sections of code. We reproduced most of the data utility results reported in the first experiment for the Adult dataset. Though the fairness metrics generally match the original paper, they are numerically not comparable in absolute or relative terms. For the second experiment, we were unsuccessful in reproducing results. However, we note that we made considerable changes to the experimental setup, which may make it difficult to perform a direct comparison. There are several possible interpretations of the paper on …
[ Hall J ]

Scope of Reproducibility: The main goal of the paper 'Value Alignment Verification' is to test the alignment of a robot's behavior efficiently with human expectations by constructing a minimal set of questions. To accomplish this, the authors propose algorithms and heuristics to create the above questionnaire. They choose a wide range of gridworld environments and a continuous autonomous driving domain to validate their put forth claims. We explore value alignment verification for gridworlds incorporating a non-linear feature reward mapping as well as an extended action space. Methodology: We re-implemented the pipeline with Python using mathematical libraries such as Numpy and Scipy. We spent approximately two months reproducing the targeted claims in the paper with the first month aimed at reproducing the results for algorithms and heuristics for exact value alignment verification. The second month focused on extending the action space, additional experiments, and refining the structure of our code. Since our experiments were not computationally expensive, we carried out the experiments on CPU. Results: The techniques proposed by authors can successfully address the value alignment verification problem in different settings. We empirically demonstrate the effectiveness of their proposals by performing exhaustive experiments with several variations to their original claims. We …
NeurIPS 2022 Competition Track: Overview & Results Tue 29 Nov 06:00 p.m.
An introduction by Isabelle Guyon and Evelyne Viegas followed by posters presentations of competition results with the main organizers.
ML Safety NeurIPS Social Tue 29 Nov 06:00 p.m.
As ML systems increase in capabilities and integration in society, their safety and alignment grow in importance. We welcome participants interested in or working on AI safety topics for a semi-structured social meetup at NeurIPS 2022. Meet peers who may have read your papers or authors you've read, and build new friendships and collaboration opportunities. We recommend using Swapcard, to request one-one-one meetings with other attendants. Example topics include "Establishing trust in advanced AI systems," "Concrete Threat Models," and "AI Governance and Policy", "Model interpretability", ...
NeurIPS 2022 Space & ML Social Event Tue 29 Nov 06:00 p.m.
The NeurIPS 2022 Space & ML social will kick off with an opening lighting round of callbacks, where guests can make their brief case for the potential of ML on (but not limited to) areas such as the following: climate change (predicting wildfires, preventing floods), space exploration, early event detection and situational awareness, fairness and equity in algorithmic decision-making, or open-source science. Following this lightning round, we will organize a social experience for attendees to meet each other and foster co-opetition (cooperative competition) in a space pub quiz, with special guests from our space industry partners (NASA, US Department of Energy, ESA, Australia Space Agency, etc).
RL Social Tue 29 Nov 06:00 p.m.
The purpose of this social is to provide an opportunity for the researchers in the RL community, both young and senior, and from both industry and academia to interact, meet each other and exchange ideas. In particular, we the organizers will invite RL experts from the many sub-areas of RL to attend and provide younger researchers with the opportunity to meet them and discuss any topics which might be of interest in their research and career.
Social: Ethics Review - Open Discussion Tue 29 Nov 06:00 p.m.
Ethical review has become an intrinsic part of the NeurIPS review process, but many unanswered question remain around topics such as: the role of ethics review; current and potential future ethical issues (consent, privacy, copyright); ethics awareness/visibility (e.g. how to help technical reviewers with access to resources to adequately flag ethical issues in papers), etc. We will start the townhall with a brief panel discussions and then open up the floor to community input/feedback and answer any questions that audience members will have.