Poster Session 5 Thu 9 Dec 12:30 a.m.
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Partial domain adaptation (PDA) has gained much attention due to its practical setting. The current PDA methods usually adapt the feature extractor by aligning the target and reweighted source domain distributions. In this paper, we experimentally find that the feature adaptation by the reweighted distribution alignment in some state-of-the-art PDA methods is not robust to the ``noisy'' weights of source domain data, leading to negative domain transfer on some challenging benchmarks. To tackle the challenge of negative domain transfer, we propose a novel Adversarial Reweighting (AR) approach that adversarially learns the weights of source domain data to align the source and target domain distributions, and the transferable deep recognition network is learned on the reweighted source domain data. Based on this idea, we propose a training algorithm that alternately updates the parameters of the network and optimizes the weights of source domain data. Extensive experiments show that our method achieves state-of-the-art results on the benchmarks of ImageNet-Caltech, Office-Home, VisDA-2017, and DomainNet. Ablation studies also confirm the effectiveness of our approach.
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Optimization is a key component for training machine learning models and has a strong impact on their generalization. In this paper, we consider a particular optimization method---the stochastic gradient Langevin dynamics (SGLD) algorithm---and investigate the generalization of models trained by SGLD. We derive a new generalization bound by connecting SGLD with Gaussian channels found in information and communication theory. Our bound can be computed from the training data and incorporates the variance of gradients for quantifying a particular kind of "sharpness" of the loss landscape. We also consider a closely related algorithm with SGLD, namely differentially private SGD (DP-SGD). We prove that the generalization capability of DP-SGD can be amplified by iteration. Specifically, our bound can be sharpened by including a time-decaying factor if the DP-SGD algorithm outputs the last iterate while keeping other iterates hidden. This decay factor enables the contribution of early iterations to our bound to reduce with time and is established by strong data processing inequalities---a fundamental tool in information theory. We demonstrate our bound through numerical experiments, showing that it can predict the behavior of the true generalization gap.
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Backdoor attack has emerged as a major security threat to deep neural networks (DNNs). While existing defense methods have demonstrated promising results on detecting or erasing backdoors, it is still not clear whether robust training methods can be devised to prevent the backdoor triggers being injected into the trained model in the first place. In this paper, we introduce the concept of \emph{anti-backdoor learning}, aiming to train \emph{clean} models given backdoor-poisoned data. We frame the overall learning process as a dual-task of learning the \emph{clean} and the \emph{backdoor} portions of data. From this view, we identify two inherent characteristics of backdoor attacks as their weaknesses: 1) the models learn backdoored data much faster than learning with clean data, and the stronger the attack the faster the model converges on backdoored data; 2) the backdoor task is tied to a specific class (the backdoor target class). Based on these two weaknesses, we propose a general learning scheme, Anti-Backdoor Learning (ABL), to automatically prevent backdoor attacks during training. ABL introduces a two-stage \emph{gradient ascent} mechanism for standard training to 1) help isolate backdoor examples at an early training stage, and 2) break the correlation between backdoor examples and the target class at …
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Despite recent advances in its theoretical understanding, there still remains a significant gap in the ability of existing PAC-Bayesian theories on meta-learning to explain performance improvements in the few-shot learning setting, where the number of training examples in the target tasks is severely limited. This gap originates from an assumption in the existing theories which supposes that the number of training examples in the observed tasks and the number of training examples in the target tasks follow the same distribution, an assumption that rarely holds in practice. By relaxing this assumption, we develop two PAC-Bayesian bounds tailored for the few-shot learning setting and show that two existing meta-learning algorithms (MAML and Reptile) can be derived from our bounds, thereby bridging the gap between practice and PAC-Bayesian theories. Furthermore, we derive a new computationally-efficient PACMAML algorithm, and show it outperforms existing meta-learning algorithms on several few-shot benchmark datasets.
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In this paper, we introduce CorticalFlow, a new geometric deep-learning model that, given a 3-dimensional image, learns to deform a reference template towards a targeted object. To conserve the template mesh’s topological properties, we train our model over a set of diffeomorphic transformations. This new implementation of a flow Ordinary Differential Equation (ODE) framework benefits from a small GPU memory footprint, allowing the generation of surfaces with several hundred thousand vertices. To reduce topological errors introduced by its discrete resolution, we derive numeric conditions which improve the manifoldness of the predicted triangle mesh. To exhibit the utility of CorticalFlow, we demonstrate its performance for the challenging task of brain cortical surface reconstruction. In contrast to the current state-of-the-art, CorticalFlow produces superior surfaces while reducing the computation time from nine and a half minutes to one second. More significantly, CorticalFlow enforces the generation of anatomically plausible surfaces; the absence of which has been a major impediment restricting the clinical relevance of such surface reconstruction methods.
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Constructing Reinforcement Learning (RL) policies that adhere to safety requirements is an emerging field of study. RL agents learn via trial and error with an objective to optimize a reward signal. Often policies that are designed to accumulate rewards do not satisfy safety specifications. We present a methodology for counterexample guided refinement of a trained RL policy against a given safety specification. Our approach has two main components. The first component is an approach to discover failure trajectories using Bayesian optimization over multiple parameters of uncertainty from a policy learnt in a model-free setting. The second component selectively modifies the failure points of the policy using gradient-based updates. The approach has been tested on several RL environments, and we demonstrate that the policy can be made to respect the safety specifications through such targeted changes.
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Most of the existing neural video compression methods adopt the predictive coding framework, which first generates the predicted frame and then encodes its residue with the current frame. However, as for compression ratio, predictive coding is only a sub-optimal solution as it uses simple subtraction operation to remove the redundancy across frames. In this paper, we propose a deep contextual video compression framework to enable a paradigm shift from predictive coding to conditional coding. In particular, we try to answer the following questions: how to define, use, and learn condition under a deep video compression framework. To tap the potential of conditional coding, we propose using feature domain context as condition. This enables us to leverage the high dimension context to carry rich information to both the encoder and the decoder, which helps reconstruct the high-frequency contents for higher video quality. Our framework is also extensible, in which the condition can be flexibly designed. Experiments show that our method can significantly outperform the previous state-of-the-art (SOTA) deep video compression methods. When compared with x265 using veryslow preset, we can achieve 26.0% bitrate saving for 1080P standard test videos.
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Deep ensembles excel in large-scale image classification tasks both in terms of prediction accuracy and calibration. Despite being simple to train, the computation and memory cost of deep ensembles limits their practicability. While some recent works propose to distill an ensemble model into a single model to reduce such costs, there is still a performance gap between the ensemble and distilled models. We propose a simple approach for reducing this gap, i.e., making the distilled performance close to the full ensemble. Our key assumption is that a distilled model should absorb as much function diversity inside the ensemble as possible. We first empirically show that the typical distillation procedure does not effectively transfer such diversity, especially for complex models that achieve near-zero training error. To fix this, we propose a perturbation strategy for distillation that reveals diversity by seeking inputs for which ensemble member outputs disagree. We empirically show that a model distilled with such perturbed samples indeed exhibits enhanced diversity, leading to improved performance.
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We present an efficient low-rank approximation algorithm for non-negative tensors. The algorithm is derived from our two findings: First, we show that rank-1 approximation for tensors can be viewed as a mean-field approximation by treating each tensor as a probability distribution. Second, we theoretically provide a sufficient condition for distribution parameters to reduce Tucker ranks of tensors; interestingly, this sufficient condition can be achieved by iterative application of the mean-field approximation. Since the mean-field approximation is always given as a closed formula, our findings lead to a fast low-rank approximation algorithm without using a gradient method. We empirically demonstrate that our algorithm is faster than the existing non-negative Tucker rank reduction methods and achieves competitive or better approximation of given tensors.
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We introduce a conceptually simple yet effective model for self-supervised representation learning with graph data. It follows the previous methods that generate two views of an input graph through data augmentation. However, unlike contrastive methods that focus on instance-level discrimination, we optimize an innovative feature-level objective inspired by classical Canonical Correlation Analysis. Compared with other works, our approach requires none of the parameterized mutual information estimator, additional projector, asymmetric structures, and most importantly, negative samples which can be costly. We show that the new objective essentially 1) aims at discarding augmentation-variant information by learning invariant representations, and 2) can prevent degenerated solutions by decorrelating features in different dimensions. Our theoretical analysis further provides an understanding for the new objective which can be equivalently seen as an instantiation of the Information Bottleneck Principle under the self-supervised setting. Despite its simplicity, our method performs competitively on seven public graph datasets.
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Federated Learning (FL) is a distributed learning framework, in which the local data never leaves clients’ devices to preserve privacy, and the server trains models on the data via accessing only the gradients of those local data. Without further privacy mechanisms such as differential privacy, this leaves the system vulnerable against an attacker who inverts those gradients to reveal clients’ sensitive data. However, a gradient is often insufficient to reconstruct the user data without any prior knowledge. By exploiting a generative model pretrained on the data distribution, we demonstrate that data privacy can be easily breached. Further, when such prior knowledge is unavailable, we investigate the possibility of learning the prior from a sequence of gradients seen in the process of FL training. We experimentally show that the prior in a form of generative model is learnable from iterative interactions in FL. Our findings demonstrate that additional mechanisms are necessary to prevent privacy leakage in FL.
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Given an optimization problem, the Hessian matrix and its eigenspectrum can be used in many ways, ranging from designing more efficient second-order algorithms to performing model analysis and regression diagnostics. When nonlinear models and non-convex problems are considered, strong simplifying assumptions are often made to make Hessian spectral analysis more tractable.This leads to the question of how relevant the conclusions of such analyses are for realistic nonlinear models. In this paper, we exploit tools from random matrix theory to make a precise characterization of the Hessian eigenspectra for a broad family of nonlinear models that extends the classical generalized linear models, without relying on strong simplifying assumptions used previously. We show that, depending on the data properties, the nonlinear response model, and the loss function, the Hessian can have qualitatively different spectral behaviors: of bounded or unbounded support, with single- or multi-bulk, and with isolated eigenvalues on the left- or right-hand side of the main eigenvalue bulk. By focusing on such a simple but nontrivial model, our analysis takes a step forward to unveil the theoretical origin of many visually striking features observed in more realistic machine learning models.
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Autoregressive models and their sequential factorization of the data likelihood have recently demonstrated great potential for image representation and synthesis. Nevertheless, they incorporate image context in a linear 1D order by attending only to previously synthesized image patches above or to the left. Not only is this unidirectional, sequential bias of attention unnatural for images as it disregards large parts of a scene until synthesis is almost complete. It also processes the entire image on a single scale, thus ignoring more global contextual information up to the gist of the entire scene. As a remedy we incorporate a coarse-to-fine hierarchy of context by combining the autoregressive formulation with a multinomial diffusion process: Whereas a multistage diffusion process successively compresses and removes information to coarsen an image, we train a Markov chain to invert this process. In each stage, the resulting autoregressive ImageBART model progressively incorporates context from previous stages in a coarse-to-fine manner. Experiments demonstrate the gain over current autoregressive models, continuous diffusion probabilistic models, and latent variable models. Moreover, the approach enables to control the synthesis process and to trade compression rate against reconstruction accuracy, while still guaranteeing visually plausible results.
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Learning distributed representation of source code requires modelling its syntax and semantics. Recent state-of-the-art models leverage highly structured source code representations, such as the syntax trees and paths therein. In this paper, we investigate two representative path encoding methods shown in previous research work and integrate them into the attention module of Transformer. We draw inspiration from the ideas of positional encoding and modify them to incorporate these path encoding. Specifically, we encode both the pairwise path between tokens of source code and the path from the leaf node to the tree root for each token in the syntax tree. We explore the interaction between these two kinds of paths by integrating them into the unified Transformer framework. The detailed empirical study for path encoding methods also leads to our novel state-of-the-art representation model TPTrans, which finally outperforms strong baselines. Extensive experiments and ablation studies on code summarization across four different languages demonstrate the effectiveness of our approaches. We release our code at \url{https://github.com/AwdHanPeng/TPTrans}.
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We show that bringing intermediate layers' representations of two augmented versions of an image closer together in self-supervised learning helps to improve the momentum contrastive (MoCo) method. To this end, in addition to the contrastive loss, we minimize the mean squared error between the intermediate layer representations or make their cross-correlation matrix closer to an identity matrix. Both loss objectives either outperform standard MoCo, or achieve similar performances on three diverse medical imaging datasets: NIH-Chest Xrays, Breast Cancer Histopathology, and Diabetic Retinopathy. The gains of the improved MoCo are especially large in a low-labeled data regime (e.g. 1% labeled data) with an average gain of 5% across three datasets. We analyze the models trained using our novel approach via feature similarity analysis and layer-wise probing. Our analysis reveals that models trained via our approach have higher feature reuse compared to a standard MoCo and learn informative features earlier in the network. Finally, by comparing the output probability distribution of models fine-tuned on small versus large labeled data, we conclude that our proposed method of pre-training leads to lower Kolmogorov–Smirnov distance, as compared to a standard MoCo. This provides additional evidence that our proposed method learns more informative features in the …
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Extracting the interaction rules of biological agents from movement sequences pose challenges in various domains. Granger causality is a practical framework for analyzing the interactions from observed time-series data; however, this framework ignores the structures and assumptions of the generative process in animal behaviors, which may lead to interpretational problems and sometimes erroneous assessments of causality. In this paper, we propose a new framework for learning Granger causality from multi-animal trajectories via augmented theory-based behavioral models with interpretable data-driven models. We adopt an approach for augmenting incomplete multi-agent behavioral models described by time-varying dynamical systems with neural networks. For efficient and interpretable learning, our model leverages theory-based architectures separating navigation and motion processes, and the theory-guided regularization for reliable behavioral modeling. This can provide interpretable signs of Granger-causal effects over time, i.e., when specific others cause the approach or separation. In experiments using synthetic datasets, our method achieved better performance than various baselines. We then analyzed multi-animal datasets of mice, flies, birds, and bats, which verified our method and obtained novel biological insights.
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Rule sets are highly interpretable logical models in which the predicates for decision are expressed in disjunctive normal form (DNF, OR-of-ANDs), or, equivalently, the overall model comprises an unordered collection of if-then decision rules. In this paper, we consider a submodular optimization based approach for learning rule sets. The learning problem is framed as a subset selection task in which a subset of all possible rules needs to be selected to form an accurate and interpretable rule set. We employ an objective function that exhibits submodularity and thus is amenable to submodular optimization techniques. To overcome the difficulty arose from dealing with the exponential-sized ground set of rules, the subproblem of searching a rule is casted as another subset selection task that asks for a subset of features. We show it is possible to write the induced objective function for the subproblem as a difference of two submodular (DS) functions to make it approximately solvable by DS optimization algorithms. Overall, the proposed approach is simple, scalable, and likely to be benefited from further research on submodular optimization. Experiments on real datasets demonstrate the effectiveness of our method.
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We propose a framework for comparing data manifolds, aimed, in particular, towards the evaluation of deep generative models. We describe a novel tool, Cross-Barcode(P,Q), that, given a pair of distributions in a high-dimensional space, tracks multiscale topology spacial discrepancies between manifolds on which the distributions are concentrated. Based on the Cross-Barcode, we introduce the Manifold Topology Divergence score (MTop-Divergence) and apply it to assess the performance of deep generative models in various domains: images, 3D-shapes, time-series, and on different datasets: MNIST, Fashion MNIST, SVHN, CIFAR10, FFHQ, market stock data, ShapeNet. We demonstrate that the MTop-Divergence accurately detects various degrees of mode-dropping, intra-mode collapse, mode invention, and image disturbance. Our algorithm scales well (essentially linearly) with the increase of the dimension of the ambient high-dimensional space. It is one of the first TDA-based methodologies that can be applied universally to datasets of different sizes and dimensions, including the ones on which the most recent GANs in the visual domain are trained. The proposed method is domain agnostic and does not rely on pre-trained networks.
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The problem of selecting optimal backdoor adjustment sets to estimate causal effects in graphical models with hidden and conditioned variables is addressed. Previous work has defined optimality as achieving the smallest asymptotic estimation variance and derived an optimal set for the case without hidden variables. For the case with hidden variables there can be settings where no optimal set exists and currently only a sufficient graphical optimality criterion of limited applicability has been derived. In the present work optimality is characterized as maximizing a certain adjustment information which allows to derive a necessary and sufficient graphical criterion for the existence of an optimal adjustment set and a definition and algorithm to construct it. Further, the optimal set is valid if and only if a valid adjustment set exists and has higher (or equal) adjustment information than the Adjust-set proposed in Perkovi{\'c} et~al. [Journal of Machine Learning Research, 18: 1--62, 2018] for any graph. The results translate to minimal asymptotic estimation variance for a class of estimators whose asymptotic variance follows a certain information-theoretic relation. Numerical experiments indicate that the asymptotic results also hold for relatively small sample sizes and that the optimal adjustment set or minimized variants thereof often yield …
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Various non-trivial spaces are becoming popular for embedding structured data such as graphs, texts, or images. Following spherical and hyperbolic spaces, more general product spaces have been proposed. However, searching for the best configuration of a product space is a resource-intensive procedure, which reduces the practical applicability of the idea. We generalize the concept of product space and introduce an overlapping space that does not have the configuration search problem. The main idea is to allow subsets of coordinates to be shared between spaces of different types (Euclidean, hyperbolic, spherical). As a result, we often need fewer coordinates to store the objects. Additionally, we propose an optimization algorithm that automatically learns the optimal configuration. Our experiments confirm that overlapping spaces outperform the competitors in graph embedding tasks with different evaluation metrics. We also perform an empirical analysis in a realistic information retrieval setup, where we compare all spaces by incorporating them into DSSM. In this case, the proposed overlapping space consistently achieves nearly optimal results without any configuration tuning. This allows for reducing training time, which can be essential in large-scale applications.
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Learning good feature representations is important for deep reinforcement learning (RL). However, with limited experience, RL often suffers from data inefficiency for training. For un-experienced or less-experienced trajectories (i.e., state-action sequences), the lack of data limits the use of them for better feature learning. In this work, we propose a novel method, dubbed PlayVirtual, which augments cycle-consistent virtual trajectories to enhance the data efficiency for RL feature representation learning. Specifically, PlayVirtual predicts future states in a latent space based on the current state and action by a dynamics model and then predicts the previous states by a backward dynamics model, which forms a trajectory cycle. Based on this, we augment the actions to generate a large amount of virtual state-action trajectories. Being free of groudtruth state supervision, we enforce a trajectory to meet the cycle consistency constraint, which can significantly enhance the data efficiency. We validate the effectiveness of our designs on the Atari and DeepMind Control Suite benchmarks. Our method achieves the state-of-the-art performance on both benchmarks. Our code is available at https://github.com/microsoft/Playvirtual.
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Multimodal meta-learning is a recent problem that extends conventional few-shot meta-learning by generalizing its setup to diverse multimodal task distributions. This setup makes a step towards mimicking how humans make use of a diverse set of prior skills to learn new skills. Previous work has achieved encouraging performance. In particular, in spite of the diversity of the multimodal tasks, previous work claims that a single meta-learner trained on a multimodal distribution can sometimes outperform multiple specialized meta-learners trained on individual unimodal distributions. The improvement is attributed to knowledge transfer between different modes of task distributions. However, there is no deep investigation to verify and understand the knowledge transfer between multimodal tasks. Our work makes two contributions to multimodal meta-learning. First, we propose a method to quantify knowledge transfer between tasks of different modes at a micro-level. Our quantitative, task-level analysis is inspired by the recent transference idea from multi-task learning. Second, inspired by hard parameter sharing in multi-task learning and a new interpretation of related work, we propose a new multimodal meta-learner that outperforms existing work by considerable margins. While the major focus is on multimodal meta-learning, our work also attempts to shed light on task interaction in conventional meta-learning. …
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Recent years have witnessed an upsurge of interest in employing flexible machine learning models for instrumental variable (IV) regression, but the development of uncertainty quantification methodology is still lacking. In this work we present a scalable quasi-Bayesian procedure for IV regression, building upon the recently developed kernelized IV models. Contrary to Bayesian modeling for IV, our approach does not require additional assumptions on the data generating process, and leads to a scalable approximate inference algorithm with time cost comparable to the corresponding point estimation methods. Our algorithm can be further extended to work with neural network models. We analyze the theoretical properties of the proposed quasi-posterior, and demonstrate through empirical evaluation the competitive performance of our method.
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Scene classification is a valuable classification subtask and has its own characteristics which still needs more in-depth studies. Basically, scene characteristics are distributed over the whole image, which cause the need of “seeing” comprehensive and informative regions. Previous works mainly focus on region discovery and aggregation, while rarely involves the inherent properties of CNN along with its potential ability to satisfy the requirements of scene classification. In this paper, we propose to understand scene images and the scene classification CNN models in terms of the focus area. From this new perspective, we find that large focus area is preferred in scene classification CNN models as a consequence of learning scene characteristics. Meanwhile, the analysis about existing training schemes helps us to understand the effects of focus area, and also raises the question about optimal training method for scene classification. Pursuing the better usage of scene characteristics, we propose a new learning scheme with a tailored loss in the goal of activating larger focus area on scene images. Since the supervision of the target regions to be enlarged is usually lacked, our alternative learning scheme is to erase already activated area, and allow the CNN models to activate more area during …
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In recent years, deep off-policy actor-critic algorithms have become a dominant approach to reinforcement learning for continuous control. One of the primary drivers of this improved performance is the use of pessimistic value updates to address function approximation errors, which previously led to disappointing performance. However, a direct consequence of pessimism is reduced exploration, running counter to theoretical support for the efficacy of optimism in the face of uncertainty. So which approach is best? In this work, we show that the most effective degree of optimism can vary both across tasks and over the course of learning. Inspired by this insight, we introduce a novel deep actor-critic framework, Tactical Optimistic and Pessimistic (TOP) estimation, which switches between optimistic and pessimistic value learning online. This is achieved by formulating the selection as a multi-arm bandit problem. We show in a series of continuous control tasks that TOP outperforms existing methods which rely on a fixed degree of optimism, setting a new state of the art in challenging pixel-based environments. Since our changes are simple to implement, we believe these insights can easily be incorporated into a multitude of off-policy algorithms.
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In low-level vision such as single image super-resolution (SISR), traditional MSE or L1 loss function treats every pixel equally with the assumption that the importance of all pixels is the same. However, it has been long recognized that texture and edge areas carry more important visual information than smooth areas in photographic images. How to achieve such spatial adaptation in a principled manner has been an open problem in both traditional model-based and modern learning-based approaches toward SISR. In this paper, we propose a new adaptive weighted loss for SISR to train deep networks focusing on challenging situations such as textured and edge pixels with high uncertainty. Specifically, we introduce variance estimation characterizing the uncertainty on a pixel-by-pixel basis into SISR solutions so the targeted pixels in a high-resolution image (mean) and their corresponding uncertainty (variance) can be learned simultaneously. Moreover, uncertainty estimation allows us to leverage conventional wisdom such as sparsity prior for regularizing SISR solutions. Ultimately, pixels with large certainty (e.g., texture and edge pixels) will be prioritized for SISR according to their importance to visual quality. For the first time, we demonstrate that such uncertainty-driven loss can achieve better results than MSE or L1 loss …
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When faced with sequential decision-making problems, it is often useful to be able to predict what would happen if decisions were made using a new policy. Those predictions must often be based on data collected under some previously used decision-making rule. Many previous methods enable such off-policy (or counterfactual) estimation of the expected value of a performance measure called the return. In this paper, we take the first steps towards a 'universal off-policy estimator' (UnO)---one that provides off-policy estimates and high-confidence bounds for any parameter of the return distribution. We use UnO for estimating and simultaneously bounding the mean, variance, quantiles/median, inter-quantile range, CVaR, and the entire cumulative distribution of returns. Finally, we also discuss UnO's applicability in various settings, including fully observable, partially observable (i.e., with unobserved confounders), Markovian, non-Markovian, stationary, smoothly non-stationary, and discrete distribution shifts.
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We introduce an automatic curriculum algorithm, Variational Automatic Curriculum Learning (VACL), for solving challenging goal-conditioned cooperative multi-agent reinforcement learning problems. We motivate our curriculum learning paradigm through a variational perspective, where the learning objective can be decomposed into two terms: task learning on the current curriculum, and curriculum update to a new task distribution. Local optimization over the second term suggests that the curriculum should gradually expand the training tasks from easy to hard. Our VACL algorithm implements this variational paradigm with two practical components, task expansion and entity curriculum, which produces a series of training tasks over both the task configurations as well as the number of entities in the task. Experiment results show that VACL solves a collection of sparse-reward problems with a large number of agents. Particularly, using a single desktop machine, VACL achieves 98% coverage rate with 100 agents in the simple-spread benchmark and reproduces the ramp-use behavior originally shown in OpenAI’s hide-and-seek project.
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For certain infinitely-wide neural networks, the neural tangent kernel (NTK) theory fully characterizes generalization, but for the networks used in practice, the empirical NTK only provides a rough first-order approximation. Still, a growing body of work keeps leveraging this approximation to successfully analyze important deep learning phenomena and design algorithms for new applications. In our work, we provide strong empirical evidence to determine the practical validity of such approximation by conducting a systematic comparison of the behavior of different neural networks and their linear approximations on different tasks. We show that the linear approximations can indeed rank the learning complexity of certain tasks for neural networks, even when they achieve very different performances. However, in contrast to what was previously reported, we discover that neural networks do not always perform better than their kernel approximations, and reveal that the performance gap heavily depends on architecture, dataset size and training task. We discover that networks overfit to these tasks mostly due to the evolution of their kernel during training, thus, revealing a new type of implicit bias.
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Humans can reason about intuitive physics in fully or partially observed environments even after being exposed to a very limited set of observations. This sample-efficient intuitive physical reasoning is considered a core domain of human common sense knowledge. One hypothesis to explain this remarkable capacity, posits that humans quickly learn approximations to the laws of physics that govern the dynamics of the environment. In this paper, we propose a Bayesian-symbolic framework (BSP) for physical reasoning and learning that is close to human-level sample-efficiency and accuracy. In BSP, the environment is represented by a top-down generative model of entities, which are assumed to interact with each other under unknown force laws over their latent and observed properties. BSP models each of these entities as random variables, and uses Bayesian inference to estimate their unknown properties. For learning the unknown forces, BSP leverages symbolic regression on a novel grammar of Newtonian physics in a bilevel optimization setup. These inference and regression steps are performed in an iterative manner using expectation-maximization, allowing BSP to simultaneously learn force laws while maintaining uncertainty over entity properties. We show that BSP is more sample-efficient compared to neural alternatives on controlled synthetic datasets, demonstrate BSP's applicability to …

We study k-median clustering under the sequential no-substitution setting. In this setting, a data stream is sequentially observed, and some of the points are selected by the algorithm as cluster centers. However, a point can be selected as a center only immediately after it is observed, before observing the next point. In addition, a selected center cannot be substituted later. We give the first algorithm for this setting that obtains a constant approximation factor on the optimal cost under a random arrival order, an exponential improvement over previous work. This is also the first constant approximation guarantee that holds without any structural assumptions on the input data. Moreover, the number of selected centers is only quasi-linear in k. Our algorithm and analysis are based on a careful cost estimation that avoids outliers, a new concept of a linear bin division, and a multi-scale approach to center selection.

One of the reasons why it is difficult for the brain to perform backpropagation (BP) is the weight transport problem, which argues forward and feedback neurons cannot share the same synaptic weights during learning in biological neural networks. Recently proposed algorithms address the weight transport problem while providing good performance similar to BP in large-scale networks. However, they require bidirectional connections between the forward and feedback neurons to train their weights, which is observed to be rare in the biological brain. In this work, we propose an Activation Sharing algorithm that removes the need for bidirectional connections between the two types of neurons. In this algorithm, hidden layer outputs (activations) are shared across multiple layers during weight updates. By applying this learning rule to both forward and feedback networks, we solve the weight transport problem without the constraint of bidirectional connections, also achieving good performance even on deep convolutional neural networks for various datasets. In addition, our algorithm could significantly reduce memory access overhead when implemented in hardware.

Our goal is to evaluate the accuracy of a black-box classification model, not as a single aggregate on a given test data distribution, but as a surface over a large number of combinations of attributes characterizing multiple test data distributions. Such attributed accuracy measures become important as machine learning models get deployed as a service, where the training data distribution is hidden from clients, and different clients may be interested in diverse regions of the data distribution. We present Attributed Accuracy Assay (AAA) --- a Gaussian Process (GP)-based probabilistic estimator for such an accuracy surface. Each attribute combination, called an 'arm' is associated with a Beta density from which the service's accuracy is sampled. We expect the GP to smooth the parameters of the Beta density over related arms to mitigate sparsity. We show that obvious application of GPs cannot address the challenge of heteroscedastic uncertainty over a huge attribute space that is sparsely and unevenly populated. In response, we present two enhancements: pooling sparse observations, and regularizing the scale parameter of the Beta densities. After introducing these innovations, we establish the effectiveness of AAA both in terms of its estimation accuracy and exploration efficiency, through extensive experiments and analysis.
In many real tasks, it is generally desired to study the causal effect on a specific target (response variable) only, with no need to identify the thorough causal effects involving all variables. In this paper, we attempt to identify such effects by a few active interventions where only the response variable is observable. This task is challenging because the causal graph is unknown and even there may exist latent confounders. To learn the necessary structure for identifying the effects, we provide the graphical characterization that allows us to efficiently estimate all possible causal effects in a partially mixed ancestral graph (PMAG) by generalized back-door criterion. The characterization guides learning a local structure with the interventional data. Theoretical analysis and empirical studies validate the effectiveness and efficiency of our proposed approach.

Temporal Graph Networks (TGNs) are powerful on modeling temporal graph data based on their increased complexity. Higher complexity carries with it a higher risk of overfitting, which makes TGNs capture random noise instead of essential semantic information. To address this issue, our idea is to transform the temporal graphs using data augmentation (DA) with adaptive magnitudes, so as to effectively augment the input features and preserve the essential semantic information. Based on this idea, we present the MeTA (Memory Tower Augmentation) module: a multi-level module that processes the augmented graphs of different magnitudes on separate levels, and performs message passing across levels to provide adaptively augmented inputs for every prediction. MeTA can be flexibly applied to the training of popular TGNs to improve their effectiveness without increasing their time complexity. To complement MeTA, we propose three DA strategies to realistically model noise by modifying both the temporal and topological features. Empirical results on standard datasets show that MeTA yields significant gains for the popular TGN models on edge prediction and node classification in an efficient manner.

Transformer is a new kind of calculation paradigm for deep learning which has shown strong performance on a large variety of computer vision tasks. However, compared with conventional deep models (e.g., convolutional neural networks), vision transformers require more computational resources which cannot be easily deployed on mobile devices. To this end, we present to reduce the energy consumptions using adder neural network (AdderNet). We first theoretically analyze the mechanism of self-attention and the difficulty for applying adder operation into this module. Specifically, the feature diversity, i.e., the rank of attention map using only additions cannot be well preserved. Thus, we develop an adder attention layer that includes an additional identity mapping. With the new operation, vision transformers constructed using additions can also provide powerful feature representations. Experimental results on several benchmarks demonstrate that the proposed approach can achieve highly competitive performance to that of the baselines while achieving an about 2~3× reduction on the energy consumption.

Federated learning (FL) has gain growing interests for its capability of learning from distributed data sources collectively without the need of accessing the raw data samples across different sources. So far FL research has mostly focused on improving the performance, how the algorithmic disparity will be impacted for the model learned from FL and the impact of algorithmic disparity on the utility inconsistency are largely unexplored. In this paper, we propose an FL framework to jointly consider performance consistency and algorithmic fairness across different local clients (data sources). We derive our framework from a constrained multi-objective optimization perspective, in which we learn a model satisfying fairness constraints on all clients with consistent performance. Specifically, we treat the algorithm prediction loss at each local client as an objective and maximize the worst-performing client with fairness constraints through optimizing a surrogate maximum function with all objectives involved. A gradient-based procedure is employed to achieve the Pareto optimality of this optimization problem. Theoretical analysis is provided to prove that our method can converge to a Pareto solution that achieves the min-max performance with fairness constraints on all clients. Comprehensive experiments on synthetic and real-world datasets demonstrate the superiority that our approach over baselines …

Modelling the behaviours of other agents is essential for understanding how agents interact and making effective decisions. Existing methods for agent modelling commonly assume knowledge of the local observations and chosen actions of the modelled agents during execution. To eliminate this assumption, we extract representations from the local information of the controlled agent using encoder-decoder architectures. Using the observations and actions of the modelled agents during training, our models learn to extract representations about the modelled agents conditioned only on the local observations of the controlled agent. The representations are used to augment the controlled agent's decision policy which is trained via deep reinforcement learning; thus, during execution, the policy does not require access to other agents' information. We provide a comprehensive evaluation and ablations studies in cooperative, competitive and mixed multi-agent environments, showing that our method achieves significantly higher returns than baseline methods which do not use the learned representations.


Structured non-convex learning problems, for which critical points have favorable statistical properties, arise frequently in statistical machine learning. Algorithmic convergence and statistical estimation rates are well-understood for such problems. However, quantifying the uncertainty associated with the underlying training algorithm is not well-studied in the non-convex setting. In order to address this shortcoming, in this work, we establish an asymptotic normality result for the constant step size stochastic gradient descent (SGD) algorithm---a widely used algorithm in practice. Specifically, based on the relationship between SGD and Markov Chains [DDB19], we show that the average of SGD iterates is asymptotically normally distributed around the expected value of their unique invariant distribution, as long as the non-convex and non-smooth objective function satisfies a dissipativity property. We also characterize the bias between this expected value and the critical points of the objective function under various local regularity conditions. Together, the above two results could be leveraged to construct confidence intervals for non-convex problems that are trained using the SGD algorithm.

We present and analyze an algorithm for optimizing smooth and convex or strongly convex objectives using minibatch stochastic gradient estimates. The algorithm is optimal with respect to its dependence on both the minibatch size and minimum expected loss simultaneously. This improves over the optimal method of Lan, which is insensitive to the minimum expected loss; over the optimistic acceleration of Cotter et al., which has suboptimal dependence on the minibatch size; and over the algorithm of Liu and Belkin, which is limited to least squares problems and is also similarly suboptimal. Applied to interpolation learning, the improvement over Cotter et al.~and Liu and Belkin translates to a linear, rather than square-root, parallelization speedup.

The sparse generalized eigenvalue problem (SGEP) aims to find the leading eigenvector with sparsity structure. SGEP plays an important role in statistical learning and has wide applications including, but not limited to, sparse principal component analysis, sparse canonical correlation analysis and sparse Fisher discriminant analysis, etc. Due to the sparsity constraint, the solution of SGEP entails interesting properties from both numerical and statistical perspectives. In this paper, we provide a detailed sensitivity analysis for SGEP and establish the rate-optimal perturbation bound under the sparse setting. Specifically, we show that the bound is related to the perturbation/noise level and the recovery of the true support of the leading eigenvector as well. We also investigate the estimator of SGEP via imposing a non-convex regularization. Such estimator can achieve the optimal error rate and can recover the sparsity structure as well. Extensive numerical experiments corroborate our theoretical findings via using alternating direction method of multipliers (ADMM)-based computational method.

Mechanistic models with differential equations are a key component of scientific applications of machine learning. Inference in such models is usually computationally demanding because it involves repeatedly solving the differential equation. The main problem here is that the numerical solver is hard to combine with standard inference techniques. Recent work in probabilistic numerics has developed a new class of solvers for ordinary differential equations (ODEs) that phrase the solution process directly in terms of Bayesian filtering. We here show that this allows such methods to be combined very directly, with conceptual and numerical ease, with latent force models in the ODE itself. It then becomes possible to perform approximate Bayesian inference on the latent force as well as the ODE solution in a single, linear complexity pass of an extended Kalman filter / smoother — that is, at the cost of computing a single ODE solution. We demonstrate the expressiveness and performance of the algorithm by training, among others, a non-parametric SIRD model on data from the COVID-19 outbreak.


Although existing artistic style transfer methods have achieved significant improvement with deep neural networks, they still suffer from artifacts such as disharmonious colors and repetitive patterns. Motivated by this, we propose an internal-external style transfer method with two contrastive losses. Specifically, we utilize internal statistics of a single style image to determine the colors and texture patterns of the stylized image, and in the meantime, we leverage the external information of the large-scale style dataset to learn the human-aware style information, which makes the color distributions and texture patterns in the stylized image more reasonable and harmonious. In addition, we argue that existing style transfer methods only consider the content-to-stylization and style-to-stylization relations, neglecting the stylization-to-stylization relations. To address this issue, we introduce two contrastive losses, which pull the multiple stylization embeddings closer to each other when they share the same content or style, but push far away otherwise. We conduct extensive experiments, showing that our proposed method can not only produce visually more harmonious and satisfying artistic images, but also promote the stability and consistency of rendered video clips.

This paper investigates how to realize better and more efficient embedding learning to tackle the semi-supervised video object segmentation under challenging multi-object scenarios. The state-of-the-art methods learn to decode features with a single positive object and thus have to match and segment each target separately under multi-object scenarios, consuming multiple times computing resources. To solve the problem, we propose an Associating Objects with Transformers (AOT) approach to match and decode multiple objects uniformly. In detail, AOT employs an identification mechanism to associate multiple targets into the same high-dimensional embedding space. Thus, we can simultaneously process multiple objects' matching and segmentation decoding as efficiently as processing a single object. For sufficiently modeling multi-object association, a Long Short-Term Transformer is designed for constructing hierarchical matching and propagation. We conduct extensive experiments on both multi-object and single-object benchmarks to examine AOT variant networks with different complexities. Particularly, our R50-AOT-L outperforms all the state-of-the-art competitors on three popular benchmarks, i.e., YouTube-VOS (84.1% J&F), DAVIS 2017 (84.9%), and DAVIS 2016 (91.1%), while keeping more than 3X faster multi-object run-time. Meanwhile, our AOT-T can maintain real-time multi-object speed on the above benchmarks. Based on AOT, we ranked 1st in the 3rd Large-scale VOS Challenge.

Most existing algorithms in decentralized online learning are conducted in the synchronous setting. However, synchronization makes these algorithms suffer from the straggler problem, i.e., fast learners have to wait for slow learners, which significantly reduces such algorithms' overall efficiency. To overcome this problem, we study decentralized online learning in the asynchronous setting, which allows different learners to work at their own pace. We first formulate the framework of Asynchronous Decentralized Online Convex Optimization, which specifies the whole process of asynchronous decentralized online learning using a sophisticated event indexing system. Then we propose the Asynchronous Decentralized Online Gradient-Push (AD-OGP) algorithm, which performs asymmetric gossiping communication and instantaneous model averaging. We further derive a regret bound of AD-OGP, which is a function of the network topology, the levels of processing delays, and the levels of communication delays. Extensive experiments show that AD-OGP runs significantly faster than its synchronous counterpart and also verify the theoretical results.

Decentralized optimization is emerging as a viable alternative for scalable distributed machine learning, but also introduces new challenges in terms of synchronization costs. To this end, several communication-reduction techniques, such as non-blocking communication, quantization, and local steps, have been explored in the decentralized setting. Due to the complexity of analyzing optimization in such a relaxed setting, this line of work often assumes \emph{global} communication rounds, which require additional synchronization. In this paper, we consider decentralized optimization in the simpler, but harder to analyze, \emph{asynchronous gossip} model, in which communication occurs in discrete, randomly chosen pairings among nodes. Perhaps surprisingly, we show that a variant of SGD called \emph{SwarmSGD} still converges in this setting, even if \emph{non-blocking communication}, \emph{quantization}, and \emph{local steps} are all applied \emph{in conjunction}, and even if the node data distributions and underlying graph topology are both \emph{heterogenous}. Our analysis is based on a new connection with multi-dimensional load-balancing processes. We implement this algorithm and deploy it in a super-computing environment, showing that it can outperform previous decentralized methods in terms of end-to-end training time, and that it can even rival carefully-tuned large-batch SGD for certain tasks.

Medical report generation, which aims to automatically generate a long and coherent report of a given medical image, has been receiving growing research interests. Existing approaches mainly adopt a supervised manner and heavily rely on coupled image-report pairs. However, in the medical domain, building a large-scale image-report paired dataset is both time-consuming and expensive. To relax the dependency on paired data, we propose an unsupervised model Knowledge Graph Auto-Encoder (KGAE) which accepts independent sets of images and reports in training. KGAE consists of a pre-constructed knowledge graph, a knowledge-driven encoder and a knowledge-driven decoder. The knowledge graph works as the shared latent space to bridge the visual and textual domains; The knowledge-driven encoder projects medical images and reports to the corresponding coordinates in this latent space and the knowledge-driven decoder generates a medical report given a coordinate in this space. Since the knowledge-driven encoder and decoder can be trained with independent sets of images and reports, KGAE is unsupervised. The experiments show that the unsupervised KGAE generates desirable medical reports without using any image-report training pairs. Moreover, KGAE can also work in both semi-supervised and supervised settings, and accept paired images and reports in training. By further fine-tuning with image-report …

Deep reinforcement learning (RL) agents often fail to generalize beyond their training environments. To alleviate this problem, recent work has proposed the use of data augmentation. However, different tasks tend to benefit from different types of augmentations and selecting the right one typically requires expert knowledge. In this paper, we introduce three approaches for automatically finding an effective augmentation for any RL task. These are combined with two novel regularization terms for the policy and value function, required to make the use of data augmentation theoretically sound for actor-critic algorithms. Our method achieves a new state-of-the-art on the Procgen benchmark and outperforms popular RL algorithms on DeepMind Control tasks with distractors. In addition, our agent learns policies and representations which are more robust to changes in the environment that are irrelevant for solving the task, such as the background.




Inspired by BatchNorm, there has been an explosion of normalization layers in deep learning. Recent works have identified a multitude of beneficial properties in BatchNorm to explain its success. However, given the pursuit of alternative normalization layers, these properties need to be generalized so that any given layer's success/failure can be accurately predicted. In this work, we take a first step towards this goal by extending known properties of BatchNorm in randomly initialized deep neural networks (DNNs) to several recently proposed normalization layers. Our primary findings follow: (i) similar to BatchNorm, activations-based normalization layers can prevent exponential growth of activations in ResNets, but parametric techniques require explicit remedies; (ii) use of GroupNorm can ensure an informative forward propagation, with different samples being assigned dissimilar activations, but increasing group size results in increasingly indistinguishable activations for different samples, explaining slow convergence speed in models with LayerNorm; and (iii) small group sizes result in large gradient norm in earlier layers, hence explaining training instability issues in Instance Normalization and illustrating a speed-stability tradeoff in GroupNorm. Overall, our analysis reveals a unified set of mechanisms that underpin the success of normalization methods in deep learning, providing us with a compass to systematically explore …


We consider the problem of tensor estimation from noisy observations with possibly missing entries. A nonparametric approach to tensor completion is developed based on a new model which we coin as sign representable tensors. The model represents the signal tensor of interest using a series of structured sign tensors. Unlike earlier methods, the sign series representation effectively addresses both low- and high-rank signals, while encompassing many existing tensor models---including CP models, Tucker models, single index models, structured tensors with repeating entries---as special cases. We provably reduce the tensor estimation problem to a series of structured classification tasks, and we develop a learning reduction machinery to empower existing low-rank tensor algorithms for more challenging high-rank estimation. Excess risk bounds, estimation errors, and sample complexities are established. We demonstrate the outperformance of our approach over previous methods on two datasets, one on human brain connectivity networks and the other on topic data mining.
Training multiple deep neural networks (DNNs) and averaging their outputs is a simple way to improve the predictive performance. Nevertheless, the multiplied training cost prevents this ensemble method to be practical and efficient. Several recent works attempt to save and ensemble the checkpoints of DNNs, which only requires the same computational cost as training a single network. However, these methods suffer from either marginal accuracy improvements due to the low diversity of checkpoints or high risk of divergence due to the cyclical learning rates they adopted. In this paper, we propose a novel method to ensemble the checkpoints, where a boosting scheme is utilized to accelerate model convergence and maximize the checkpoint diversity. We theoretically prove that it converges by reducing exponential loss. The empirical evaluation also indicates our proposed ensemble outperforms single model and existing ensembles in terms of accuracy and efficiency. With the same training budget, our method achieves 4.16% lower error on Cifar-100 and 6.96% on Tiny-ImageNet with ResNet-110 architecture. Moreover, the adaptive sample weights in our method make it an effective solution to address the imbalanced class distribution. In the experiments, it yields up to 5.02% higher accuracy over single EfficientNet-B0 on the imbalanced datasets.



Discovering a solution in a combinatorial space is prevalent in many real-world problems but it is also challenging due to diverse complex constraints and the vast number of possible combinations. To address such a problem, we introduce a novel formulation, combinatorial construction, which requires a building agent to assemble unit primitives (i.e., LEGO bricks) sequentially -- every connection between two bricks must follow a fixed rule, while no bricks mutually overlap. To construct a target object, we provide incomplete knowledge about the desired target (i.e., 2D images) instead of exact and explicit volumetric information to the agent. This problem requires a comprehensive understanding of partial information and long-term planning to append a brick sequentially, which leads us to employ reinforcement learning. The approach has to consider a variable-sized action space where a large number of invalid actions, which would cause overlap between bricks, exist. To resolve these issues, our model, dubbed Brick-by-Brick, adopts an action validity prediction network that efficiently filters invalid actions for an actor-critic network. We demonstrate that the proposed method successfully learns to construct an unseen object conditioned on a single image or multiple views of a target object.

Communication is compositional if complex signals can be represented as a combination of simpler subparts. In this paper, we theoretically show that inductive biases on both the training framework and the data are needed to develop a compositional communication. Moreover, we prove that compositionality spontaneously arises in the signaling games, where agents communicate over a noisy channel. We experimentally confirm that a range of noise levels, which depends on the model and the data, indeed promotes compositionality. Finally, we provide a comprehensive study of this dependence and report results in terms of recently studied compositionality metrics: topographical similarity, conflict count, and context independence.

We propose a novel cost aggregation network, called Cost Aggregation Transformers (CATs), to find dense correspondences between semantically similar images with additional challenges posed by large intra-class appearance and geometric variations. Cost aggregation is a highly important process in matching tasks, which the matching accuracy depends on the quality of its output. Compared to hand-crafted or CNN-based methods addressing the cost aggregation, in that either lacks robustness to severe deformations or inherit the limitation of CNNs that fail to discriminate incorrect matches due to limited receptive fields, CATs explore global consensus among initial correlation map with the help of some architectural designs that allow us to fully leverage self-attention mechanism. Specifically, we include appearance affinity modeling to aid the cost aggregation process in order to disambiguate the noisy initial correlation maps and propose multi-level aggregation to efficiently capture different semantics from hierarchical feature representations. We then combine with swapping self-attention technique and residual connections not only to enforce consistent matching, but also to ease the learning process, which we find that these result in an apparent performance boost. We conduct experiments to demonstrate the effectiveness of the proposed model over the latest methods and provide extensive ablation studies. Code and …

In causal bandit problems the action set consists of interventions on variables of a causal graph. Several researchers have recently studied such bandit problems and pointed out their practical applications. However, all existing works rely on a restrictive and impractical assumption that the learner is given full knowledge of the causal graph structure upfront. In this paper, we develop novel causal bandit algorithms without knowing the causal graph. Our algorithms work well for causal trees, causal forests and a general class of causal graphs. The regret guarantees of our algorithms greatly improve upon those of standard multi-armed bandit (MAB) algorithms under mild conditions. Lastly, we prove our mild conditions are necessary: without them one cannot do better than standard MAB algorithms.

Causal effect identification is concerned with determining whether a causal effect is computable from a combination of qualitative assumptions about the underlying system (e.g., a causal graph) and distributions collected from this system. Many identification algorithms exclusively rely on graphical criteria made of a non-trivial combination of probability axioms, do-calculus, and refined c-factorization (e.g., Lee & Bareinboim, 2020). In a sequence of increasingly sophisticated results, it has been shown how proxy variables can be used to identify certain effects that would not be otherwise recoverable in challenging scenarios through solving matrix equations (e.g., Kuroki & Pearl, 2014; Miao et al., 2018). In this paper, we develop a new causal identification algorithm which utilizes both graphical criteria and matrix equations. Specifically, we first characterize the relationships between certain graphically-driven formulae and matrix multiplications. With such characterizations, we broaden the spectrum of proxy variable based identification conditions and further propose novel intermediary criteria based on the pseudoinverse of a matrix. Finally, we devise a causal effect identification algorithm, which accepts as input a collection of marginal, conditional, and interventional distributions, integrating enriched matrix-based criteria into a graphical identification approach.

We present a new second-order oracle bound for the expected risk of a weighted majority vote. The bound is based on a novel parametric form of the Chebyshev-Cantelli inequality (a.k.a. one-sided Chebyshev’s), which is amenable to efficient minimization. The new form resolves the optimization challenge faced by prior oracle bounds based on the Chebyshev-Cantelli inequality, the C-bounds [Germain et al., 2015], and, at the same time, it improves on the oracle bound based on second order Markov’s inequality introduced by Masegosa et al. [2020]. We also derive a new concentration of measure inequality, which we name PAC-Bayes-Bennett, since it combines PAC-Bayesian bounding with Bennett’s inequality. We use it for empirical estimation of the oracle bound. The PAC-Bayes-Bennett inequality improves on the PAC-Bayes-Bernstein inequality of Seldin et al. [2012]. We provide an empirical evaluation demonstrating that the new bounds can improve on the work of Masegosa et al. [2020]. Both the parametric form of the Chebyshev-Cantelli inequality and the PAC-Bayes-Bennett inequality may be of independent interest for the study of concentration of measure in other domains.

Unsupervised Domain Adaptation (UDA) aims to align the labeled source distribution with the unlabeled target distribution to obtain domain invariant predictive models. However, the application of well-known UDA approaches does not generalize well in Semi-Supervised Domain Adaptation (SSDA) scenarios where few labeled samples from the target domain are available.This paper proposes a simple Contrastive Learning framework for semi-supervised Domain Adaptation (CLDA) that attempts to bridge the intra-domain gap between the labeled and unlabeled target distributions and the inter-domain gap between source and unlabeled target distribution in SSDA. We suggest employing class-wise contrastive learning to reduce the inter-domain gap and instance-level contrastive alignment between the original(input image) and strongly augmented unlabeled target images to minimize the intra-domain discrepancy. We have empirically shown that both of these modules complement each other to achieve superior performance. Experiments on three well-known domain adaptation benchmark datasets, namely DomainNet, Office-Home, and Office31, demonstrate the effectiveness of our approach. CLDA achieves state-of-the-art results on all the above datasets.


We study the problem of learning control policies for complex tasks given by logical specifications. Recent approaches automatically generate a reward function from a given specification and use a suitable reinforcement learning algorithm to learn a policy that maximizes the expected reward. These approaches, however, scale poorly to complex tasks that require high-level planning. In this work, we develop a compositional learning approach, called DIRL, that interleaves high-level planning and reinforcement learning. First, DIRL encodes the specification as an abstract graph; intuitively, vertices and edges of the graph correspond to regions of the state space and simpler sub-tasks, respectively. Our approach then incorporates reinforcement learning to learn neural network policies for each edge (sub-task) within a Dijkstra-style planning algorithm to compute a high-level plan in the graph. An evaluation of the proposed approach on a set of challenging control benchmarks with continuous state and action spaces demonstrates that it outperforms state-of-the-art baselines.

This paper develops a conformal method to compute prediction intervals for non-parametric regression that can automatically adapt to skewed data. Leveraging black-box machine learning algorithms to estimate the conditional distribution of the outcome using histograms, it translates their output into the shortest prediction intervals with approximate conditional coverage. The resulting prediction intervals provably have marginal coverage in finite samples, while asymptotically achieving conditional coverage and optimal length if the black-box model is consistent. Numerical experiments with simulated and real data demonstrate improved performance compared to state-of-the-art alternatives, including conformalized quantile regression and other distributional conformal prediction approaches.

Current approaches for multi-horizon time series forecasting using recurrent neural networks (RNNs) focus on issuing point estimates, which is insufficient for decision-making in critical application domains where an uncertainty estimate is also required. Existing approaches for uncertainty quantification in RNN-based time-series forecasts are limited as they may require significant alterations to the underlying model architecture, may be computationally complex, may be difficult to calibrate, may incur high sample complexity, and may not provide theoretical guarantees on frequentist coverage. In this paper, we extend the inductive conformal prediction framework to the time-series forecasting setup, and propose a lightweight algorithm to address all of the above limitations, providing uncertainty estimates with theoretical guarantees for any multi-horizon forecast predictor and any dataset with minimal exchangeability assumptions. We demonstrate the effectiveness of our approach by comparing it with existing benchmarks on a variety of synthetic and real-world datasets.

Deep neural networks (DNNs) are notorious for making more mistakes for the classes that have substantially fewer samples than the others during training. Such class imbalance is ubiquitous in clinical applications and very crucial to handle because the classes with fewer samples most often correspond to critical cases (e.g., cancer) where misclassifications can have severe consequences.Not to miss such cases, binary classifiers need to be operated at high True Positive Rates (TPRs) by setting a higher threshold, but this comes at the cost of very high False Positive Rates (FPRs) for problems with class imbalance. Existing methods for learning under class imbalance most often do not take this into account. We argue that prediction accuracy should be improved by emphasizing the reduction of FPRs at high TPRs for problems where misclassification of the positive, i.e. critical, class samples are associated with higher cost.To this end, we pose the training of a DNN for binary classification as a constrained optimization problem and introduce a novel constraint that can be used with existing loss functions to enforce maximal area under the ROC curve (AUC) through prioritizing FPR reduction at high TPR. We solve the resulting constrained optimization problem using an Augmented Lagrangian …

Existing risk-aware multi-armed bandit models typically focus on risk measures of individual options such as variance. As a result, they cannot be directly applied to important real-world online decision making problems with correlated options. In this paper, we propose a novel Continuous Mean-Covariance Bandit (CMCB) model to explicitly take into account option correlation. Specifically, in CMCB, there is a learner who sequentially chooses weight vectors on given options and observes random feedback according to the decisions. The agent's objective is to achieve the best trade-off between reward and risk, measured with option covariance. To capture different reward observation scenarios in practice, we consider three feedback settings, i.e., full-information, semi-bandit and full-bandit feedback. We propose novel algorithms with optimal regrets (within logarithmic factors), and provide matching lower bounds to validate their optimalities. The experimental results also demonstrate the superiority of our algorithms. To the best of our knowledge, this is the first work that considers option correlation in risk-aware bandits and explicitly quantifies how arbitrary covariance structures impact the learning performance.The novel analytical techniques we developed for exploiting the estimated covariance to build concentration and bounding the risk of selected actions based on sampling strategy properties can likely find applications in …

In visual-input sim-to-real scenarios, to overcome the reality gap between images rendered in simulators and those from the real world, domain adaptation, i.e., learning an aligned representation space between simulators and the real world, then training and deploying policies in the aligned representation, is a promising direction. Previous methods focus on same-modal domain adaptation. However, those methods require building and running simulators that render high-quality images, which can be difficult and costly. In this paper, we consider a more cost-efficient setting of visual-input sim-to-real where only low-dimensional states are simulated. We first point out that the objective of learning mapping functions in previous methods that align the representation spaces is ill-posed, prone to yield an incorrect mapping. When the mapping crosses modalities, previous methods are easier to fail. Our algorithm, Cross-mOdal Domain Adaptation with Sequential structure (CODAS), mitigates the ill-posedness by utilizing the sequential nature of the data sampling process in RL tasks. Experiments on MuJoCo and Hand Manipulation Suite tasks show that the agents deployed with our method achieve similar performance as it has in the source domain, while those deployed with previous methods designed for same-modal domain adaptation suffer a larger performance gap.
Learning disentangled representations for user intentions from multi-feedback (i.e., positive and negative feedback) can enhance the accuracy and explainability of recommendation algorithms. However, learning such disentangled representations from multi-feedback data is challenging because i) multi-feedback is complex: there exist complex relations among different types of feedback (e.g., click, unclick, and dislike, etc) as well as various user intentions, and ii) multi-feedback is noisy: there exists noisy (useless) information both in features and labels, which may deteriorate the recommendation performance. Existing works on disentangled representation learning only focus on positive feedback, failing to handle the complex relations and noise hidden in multi-feedback data. To solve this problem, in this work we propose a Curriculum Disentangled Recommendation (CDR) model that is capable of efficiently learning disentangled representations from complex and noisy multi-feedback for better recommendation. Concretely, we design a co-filtering dynamic routing mechanism that simultaneously captures the complex relations among different behavioral feedback and user intentions as well as denoise the representations in the feature level. We then present an adjustable self-evaluating curriculum that is able to evaluate sample difficulties for better model training and conduct denoising in the label level via disregarding useless information. Our extensive experiments on several real-world datasets …

Mainstream approaches for unsupervised domain adaptation (UDA) learn domain-invariant representations to narrow the domain shift, which are empirically effective but theoretically challenged by the hardness or impossibility theorems. Recently, self-training has been gaining momentum in UDA, which exploits unlabeled target data by training with target pseudo-labels. However, as corroborated in this work, under distributional shift, the pseudo-labels can be unreliable in terms of their large discrepancy from target ground truth. In this paper, we propose Cycle Self-Training (CST), a principled self-training algorithm that explicitly enforces pseudo-labels to generalize across domains. CST cycles between a forward step and a reverse step until convergence. In the forward step, CST generates target pseudo-labels with a source-trained classifier. In the reverse step, CST trains a target classifier using target pseudo-labels, and then updates the shared representations to make the target classifier perform well on the source data. We introduce the Tsallis entropy as a confidence-friendly regularization to improve the quality of target pseudo-labels. We analyze CST theoretically under realistic assumptions, and provide hard cases where CST recovers target ground truth, while both invariant feature learning and vanilla self-training fail. Empirical results indicate that CST significantly improves over the state-of-the-arts on visual recognition and sentiment …
We study multi-agent reinforcement learning (MARL) in infinite-horizon discounted zero-sum Markov games. We focus on the practical but challenging setting of decentralized MARL, where agents make decisions without coordination by a centralized controller, but only based on their own payoffs and local actions executed. The agents need not observe the opponent's actions or payoffs, possibly being even oblivious to the presence of the opponent, nor be aware of the zero-sum structure of the underlying game, a setting also referred to as radically uncoupled in the literature of learning in games. In this paper, we develop a radically uncoupled Q-learning dynamics that is both rational and convergent: the learning dynamics converges to the best response to the opponent's strategy when the opponent follows an asymptotically stationary strategy; when both agents adopt the learning dynamics, they converge to the Nash equilibrium of the game. The key challenge in this decentralized setting is the non-stationarity of the environment from an agent's perspective, since both her own payoffs and the system evolution depend on the actions of other agents, and each agent adapts her policies simultaneously and independently. To address this issue, we develop a two-timescale learning dynamics where each agent updates her local …

Designing efficient exploration is central to Reinforcement Learning due to the fundamental problem posed by the exploration-exploitation dilemma. Bayesian exploration strategies like Thompson Sampling resolve this trade-off in a principled way by modeling and updating the distribution of the parameters of the action-value function, the outcome model of the environment.However, this technique becomes infeasible for complex environments due to the computational intractability of maintaining probability distributions over parameters of outcome models of corresponding complexity.Moreover, the approximation techniques introduced to mitigate this issue typically result in poor exploration-exploitation trade-offs, as observed in the case of deep neural network models with approximate posterior methods that have been shown to underperform in the deep bandit scenario.In this paper we introduce Sample Average Uncertainty (SAU), a simple and efficient uncertainty measure for contextual bandits.While Bayesian approaches like Thompson Sampling estimate outcomes uncertainty indirectly by first quantifying the variability over the parameters of the outcome model, SAU is a frequentist approach that directly estimates the uncertainty of the outcomes based on the value predictions.Importantly, we show theoretically that the uncertainty measure estimated by SAU asymptotically matches the uncertainty provided by Thompson Sampling, as well as its regret bounds.Because of its simplicity SAU can be seamlessly …

Constrained clustering has gained significant attention in the field of machine learning as it can leverage prior information on a growing amount of only partially labeled data. Following recent advances in deep generative models, we propose a novel framework for constrained clustering that is intuitive, interpretable, and can be trained efficiently in the framework of stochastic gradient variational inference. By explicitly integrating domain knowledge in the form of probabilistic relations, our proposed model (DC-GMM) uncovers the underlying distribution of data conditioned on prior clustering preferences, expressed as \textit{pairwise constraints}. These constraints guide the clustering process towards a desirable partition of the data by indicating which samples should or should not belong to the same cluster. We provide extensive experiments to demonstrate that DC-GMM shows superior clustering performances and robustness compared to state-of-the-art deep constrained clustering methods on a wide range of data sets. We further demonstrate the usefulness of our approach on two challenging real-world applications.

Proxy causal learning (PCL) is a method for estimating the causal effect of treatments on outcomes in the presence of unobserved confounding, using proxies (structured side information) for the confounder. This is achieved via two-stage regression: in the first stage, we model relations among the treatment and proxies; in the second stage, we use this model to learn the effect of treatment on the outcome, given the context provided by the proxies. PCL guarantees recovery of the true causal effect, subject to identifiability conditions. We propose a novel method for PCL, the deep feature proxy variable method (DFPV), to address the case where the proxies, treatments, and outcomes are high-dimensional and have nonlinear complex relationships, as represented by deep neural network features. We show that DFPV outperforms recent state-of-the-art PCL methods on challenging synthetic benchmarks, including settings involving high dimensional image data. Furthermore, we show that PCL can be applied to off-policy evaluation for the confounded bandit problem, in which DFPV also exhibits competitive performance.

Normalizing flows (NF) are expressive as well as tractable density estimation methods whenever the support of the density is diffeomorphic to the entire data-space. However, real-world data sets typically live on (or very close to) low-dimensional manifolds thereby challenging the applicability of standard NF on real-world problems. Here we propose a novel method - called Denoising Normalizing Flow (DNF) - that estimates the density on the low-dimensional manifold while learning the manifold as well. The DNF works in 3 steps. First, it inflates the manifold - making it diffeomorphic to the entire data-space. Secondly, it learns an NF on the inflated manifold and finally it learns a denoising mapping - similarly to denoising autoencoders. The DNF relies on a single cost function and does not require to alternate between a density estimation phase and a manifold learning phase - as it is the case with other recent methods. Furthermore, we show that the DNF can learn meaningful low-dimensional representations from naturalistic images as well as generate high-quality samples.

Approximate Bayesian inference estimates descriptors of an intractable target distribution - in essence, an optimization problem within a family of distributions. For example, Langevin dynamics (LD) extracts asymptotically exact samples from a diffusion process because the time evolution of its marginal distributions constitutes a curve that minimizes the KL-divergence via steepest descent in the Wasserstein space. Parallel to LD, Stein variational gradient descent (SVGD) similarly minimizes the KL, albeit endowed with a novel Stein-Wasserstein distance, by deterministically transporting a set of particle samples, thus de-randomizes the stochastic diffusion process. We propose de-randomized kernel-based particle samplers to all diffusion-based samplers known as MCMC dynamics. Following previous work in interpreting MCMC dynamics, we equip the Stein-Wasserstein space with a fiber-Riemannian Poisson structure, with the capacity of characterizing a fiber-gradient Hamiltonian flow that simulates MCMC dynamics. Such dynamics discretizes into generalized SVGD (GSVGD), a Stein-type deterministic particle sampler, with particle updates coinciding with applying the diffusion Stein operator to a kernel function. We demonstrate empirically that GSVGD can de-randomize complex MCMC dynamics, which combine the advantages of auxiliary momentum variables and Riemannian structure, while maintaining the high sample quality from an interacting particle system.

Neural network based deep learning techniques have shown great success for numerous applications. While it is expected to understand their intrinsic decision-making processes, these deep neural networks often work in a black-box way. To this end, in this paper, we aim to discern the decision-making processes of neural networks through a hierarchical voting strategy by developing an explainable deep learning model, namely Voting Transformation-based Explainable Neural Network (VOTEN). Specifically, instead of relying on massive feature combinations, VOTEN creatively models expressive single-valued voting functions between explicitly modeled latent concepts to achieve high fitting ability. Along this line, we first theoretically analyze the major components of VOTEN and prove the relationship and advantages of VOTEN compared with Multi-Layer Perceptron (MLP), the basic structure of deep neural networks. Moreover, we design efficient algorithms to improve the model usability by explicitly showing the decision processes of VOTEN. Finally, extensive experiments on multiple real-world datasets clearly validate the performances and explainability of VOTEN.
Recently, self-supervised learning for graph neural networks (GNNs) has attracted considerable attention because of their notable successes in learning the representation of graph-structure data. However, the formation of a real-world graph typically arises from the highly complex interaction of many latent factors. The existing self-supervised learning methods for GNNs are inherently holistic and neglect the entanglement of the latent factors, resulting in the learned representations suboptimal for downstream tasks and difficult to be interpreted. Learning disentangled graph representations with self-supervised learning poses great challenges and remains largely ignored by the existing literature. In this paper, we introduce the Disentangled Graph Contrastive Learning (DGCL) method, which is able to learn disentangled graph-level representations with self-supervision. In particular, we first identify the latent factors of the input graph and derive its factorized representations. Each of the factorized representations describes a latent and disentangled aspect pertinent to a specific latent factor of the graph. Then we propose a novel factor-wise discrimination objective in a contrastive learning manner, which can force the factorized representations to independently reflect the expressive information from different latent factors. Extensive experiments on both synthetic and real-world datasets demonstrate the superiority of our method against several state-of-the-art baselines.
A growing trend for value-based reinforcement learning (RL) algorithms is to capture more information than scalar value functions in the value network. One of the most well-known methods in this branch is distributional RL, which models return distribution instead of scalar value. In another line of work, hybrid reward architectures (HRA) in RL have studied to model source-specific value functions for each source of reward, which is also shown to be beneficial in performance. To fully inherit the benefits of distributional RL and hybrid reward architectures, we introduce Multi-Dimensional Distributional DQN (MD3QN), which extends distributional RL to model the joint return distribution from multiple reward sources. As a by-product of joint distribution modeling, MD3QN can capture not only the randomness in returns for each source of reward, but also the rich reward correlation between the randomness of different sources. We prove the convergence for the joint distributional Bellman operator and build our empirical algorithm by minimizing the Maximum Mean Discrepancy between joint return distribution and its Bellman target. In experiments, our method accurately models the joint return distribution in environments with richly correlated reward functions, and outperforms previous RL methods utilizing multi-dimensional reward functions in the control setting.

Tracking objects of interest in a video is one of the most popular and widely applicable problems in computer vision. However, with the years, a Cambrian explosion of use cases and benchmarks has fragmented the problem in a multitude of different experimental setups. As a consequence, the literature has fragmented too, and now novel approaches proposed by the community are usually specialised to fit only one specific setup. To understand to what extent this specialisation is necessary, in this work we present UniTrack, a solution to address five different tasks within the same framework. UniTrack consists of a single and task-agnostic appearance model, which can be learned in a supervised or self-supervised fashion, and multiple ``heads'' that address individual tasks and do not require training. We show how most tracking tasks can be solved within this framework, and that the same appearance model can be successfully used to obtain results that are competitive against specialised methods for most of the tasks considered. The framework also allows us to analyse appearance models obtained with the most recent self-supervised methods, thus extending their evaluation and comparison to a larger variety of important problems.


The representations learned by large-scale NLP models such as BERT have been widely used in various tasks. However, the increasing model size of the pre-trained models also brings efficiency challenges, including inference speed and model size when deploying models on mobile devices. Specifically, most operations in BERT consist of matrix multiplications. These matrices are not low-rank and thus canonical matrix decomposition could not find an efficient approximation. In this paper, we observe that the learned representation of each layer lies in a low-dimensional space. Based on this observation, we propose DRONE (data-aware low-rank compression), a provably optimal low-rank decomposition of weight matrices, which has a simple closed form solution that can be efficiently computed. DRONE can be applied to both fully connected and self-attention layers appearing in the BERT model. In addition to compressing standard models, out method can also be used on distilled BERT models to further improve compression rate. Experimental results show that DRONE is able to improve both model size and inference speed with limited loss in accuracy. Specifically, DRONE alone achieves 1.92x speedup on the MRPC task with only 1.5% loss in accuracy, and when DRONE is combined with distillation, it further achieves over 12.3x speedup …

This paper studies Dropout Graph Neural Networks (DropGNNs), a new approach that aims to overcome the limitations of standard GNN frameworks. In DropGNNs, we execute multiple runs of a GNN on the input graph, with some of the nodes randomly and independently dropped in each of these runs. Then, we combine the results of these runs to obtain the final result. We prove that DropGNNs can distinguish various graph neighborhoods that cannot be separated by message passing GNNs. We derive theoretical bounds for the number of runs required to ensure a reliable distribution of dropouts, and we prove several properties regarding the expressive capabilities and limits of DropGNNs. We experimentally validate our theoretical findings on expressiveness. Furthermore, we show that DropGNNs perform competitively on established GNN benchmarks.

Generalized Zero-Shot Learning (GZSL) aims to recognize new categories with auxiliary semantic information, e.g., category attributes. In this paper, we handle the critical issue of domain shift problem, i.e., confusion between seen and unseen categories, by progressively improving cross-domain transferability and category discriminability of visual representations. Our approach, named Dual Progressive Prototype Network (DPPN), constructs two types of prototypes that record prototypical visual patterns for attributes and categories, respectively. With attribute prototypes, DPPN alternately searches attribute-related local regions and updates corresponding attribute prototypes to progressively explore accurate attribute-region correspondence. This enables DPPN to produce visual representations with accurate attribute localization ability, which benefits the semantic-visual alignment and representation transferability. Besides, along with progressive attribute localization, DPPN further projects category prototypes into multiple spaces to progressively repel visual representations from different categories, which boosts category discriminability. Both attribute and category prototypes are collaboratively learned in a unified framework, which makes visual representations of DPPN transferable and distinctive.Experiments on four benchmarks prove that DPPN effectively alleviates the domain shift problem in GZSL.

Deep convolutional neural networks (CNNs) are often of sophisticated design with numerous learnable parameters for the accuracy reason. To alleviate the expensive costs of deploying them on mobile devices, recent works have made huge efforts for excavating redundancy in pre-defined architectures. Nevertheless, the redundancy on the input resolution of modern CNNs has not been fully investigated, i.e., the resolution of input image is fixed. In this paper, we observe that the smallest resolution for accurately predicting the given image is different using the same neural network. To this end, we propose a novel dynamic-resolution network (DRNet) in which the input resolution is determined dynamically based on each input sample. Wherein, a resolution predictor with negligible computational costs is explored and optimized jointly with the desired network. Specifically, the predictor learns the smallest resolution that can retain and even exceed the original recognition accuracy for each image. During the inference, each input image will be resized to its predicted resolution for minimizing the overall computation burden. We then conduct extensive experiments on several benchmark networks and datasets. The results show that our DRNet can be embedded in any off-the-shelf network architecture to obtain a considerable reduction in computational complexity. For instance, …


We study the problem of meta-learning, which has proved to be advantageous to accelerate learning new tasks with a few samples. The recent approaches based on deep kernels achieve the state-of-the-art performance. However, the regularizers in their base learners are not learnable. In this paper, we propose an algorithm called MetaProx to learn a proximal regularizer for the base learner. We theoretically establish the convergence of MetaProx. Experimental results confirm the advantage of the proposed algorithm.

Random walks are a fundamental primitive used in many machine learning algorithms with several applications in clustering and semi-supervised learning. Despite their relevance, the first efficient parallel algorithm to compute random walks has been introduced very recently (Łącki et al.). Unfortunately their method has a fundamental shortcoming: their algorithm is non-local in that it heavily relies on computing random walks out of all nodes in the input graph, even though in many practical applications one is interested in computing random walks only from a small subset of nodes in the graph. In this paper, we present a new algorithm that overcomes this limitation by building random walks efficiently and locally at the same time. We show that our technique is both memory and round efficient, and in particular yields an efficient parallel local clustering algorithm. Finally, we complement our theoretical analysis with experimental results showing that our algorithm is significantly more scalable than previous approaches.

Rematerialization and offloading are two well known strategies to save memory during the training phase of deep neural networks, allowing data scientists to consider larger models, batch sizes or higher resolution data. Rematerialization trades memory for computation time, whereas Offloading trades memory for data movements. As these two resources are independent, it is appealing to consider the simultaneous combination of both strategies to save even more memory. We precisely model the costs and constraints corresponding to Deep Learning frameworks such as PyTorch or Tensorflow, we propose optimal algorithms to find a valid sequence of memory-constrained operations and finally, we evaluate the performance of proposed algorithms on realistic networks and computation platforms. Our experiments show that the possibility to offload can remove one third of the overhead of rematerialization, and that together they can reduce the memory used for activations by a factor 4 to 6, with an overhead below 20%.

Numerous models for supervised and reinforcement learning benefit from combinations of discrete and continuous model components. End-to-end learnable discrete-continuous models are compositional, tend to generalize better, and are more interpretable. A popular approach to building discrete-continuous computation graphs is that of integrating discrete probability distributions into neural networks using stochastic softmax tricks. Prior work has mainly focused on computation graphs with a single discrete component on each of the graph's execution paths. We analyze the behavior of more complex stochastic computations graphs with multiple sequential discrete components. We show that it is challenging to optimize the parameters of these models, mainly due to small gradients and local minima. We then propose two new strategies to overcome these challenges. First, we show that increasing the scale parameter of the Gumbel noise perturbations during training improves the learning behavior. Second, we propose dropout residual connections specifically tailored to stochastic, discrete-continuous computation graphs. With an extensive set of experiments, we show that we can train complex discrete-continuous models which one cannot train with standard stochastic softmax tricks. We also show that complex discrete-stochastic models generalize better than their continuous counterparts on several benchmark datasets.

This paper introduces a generative model equivariant to Euclidean symmetries: E(n) Equivariant Normalizing Flows (E-NFs). To construct E-NFs, we take the discriminative E(n) graph neural networks and integrate them as a differential equation to obtain an invertible equivariant function: a continuous-time normalizing flow. We demonstrate that E-NFs considerably outperform baselines and existing methods from the literature on particle systems such as DW4 and LJ13, and on molecules from QM9 in terms of log-likelihood. To the best of our knowledge, this is the first flow that jointly generates molecule features and positions in 3D.

Hamiltonian Monte Carlo (HMC) is a popular Markov Chain Monte Carlo (MCMC) algorithm to sample from an unnormalized probability distribution. A leapfrog integrator is commonly used to implement HMC in practice, but its performance can be sensitive to the choice of mass matrix used therein. We develop a gradient-based algorithm that allows for the adaptation of the mass matrix by encouraging the leapfrog integrator to have high acceptance rates while also exploring all dimensions jointly. In contrast to previous work that adapt the hyperparameters of HMC using some form of expected squared jumping distance, the adaptation strategy suggested here aims to increase sampling efficiency by maximizing an approximation of the proposal entropy. We illustrate that using multiple gradients in the HMC proposal can be beneficial compared to a single gradient-step in Metropolis-adjusted Langevin proposals. Empirical evidence suggests that the adaptation method can outperform different versions of HMC schemes by adjusting the mass matrix to the geometry of the target distribution and by providing some control on the integration time.

Gradient compression is a recent and increasingly popular technique for reducing the communication cost in distributed training of large-scale machine learning models. In this work we focus on developing efficient distributed methods that can work for any compressor satisfying a certain contraction property, which includes both unbiased (after appropriate scaling) and biased compressors such as RandK and TopK. Applied naively, gradient compression introduces errors that either slow down convergence or lead to divergence. A popular technique designed to tackle this issue is error compensation/error feedback. Due to the difficulties associated with analyzing biased compressors, it is not known whether gradient compression with error compensation can be combined with acceleration. In this work, we show for the first time that error compensated gradient compression methods can be accelerated. In particular, we propose and study the error compensated loopless Katyusha method, and establish an accelerated linear convergence rate under standard assumptions. We show through numerical experiments that the proposed method converges with substantially fewer communication rounds than previous error compensated algorithms.



In federated learning (FL), a number of distributed clients targeting the same task collaborate to train a single global model without sharing their data. The learning process typically starts from a randomly initialized or some pretrained model. In this paper, we aim at designing an initial model based on which an arbitrary group of clients can obtain a global model for its own purpose, within only a few rounds of FL. The key challenge here is that the downstream tasks for which the pretrained model will be used are generally unknown when the initial model is prepared. Our idea is to take a meta-learning approach to construct the initial model so that any group with a possibly unseen task can obtain a high-accuracy global model within only R rounds of FL. Our meta-learning itself could be done via federated learning among willing participants and is based on an episodic arrangement to mimic the R rounds of FL followed by inference in each episode. Extensive experimental results show that our method generalizes well for arbitrary groups of clients and provides large performance improvements given the same overall communication/computation resources, compared to other baselines relying on known pretraining methods.

The majority of existing multimodal sequential learning methods focus on how to obtain effective representations and ignore the importance of multimodal fusion. Bilinear attention network (BAN) is a commonly used fusion method, which leverages tensor operations to associate the features of different modalities. However, BAN has a poor compatibility for more modalities, since the computational complexity of the attention map increases exponentially with the number of modalities. Based on this concern, we propose a new method called generalizable multi-linear attention network (MAN), which can associate as many modalities as possible in linear complexity with hierarchical approximation decomposition (HAD). Besides, considering the fact that softmax attention kernels cannot be decomposed as linear operation directly, we adopt the addition random features (ARF) mechanism to approximate the non-linear softmax functions with enough theoretical analysis. We conduct extensive experiments on four datasets of three tasks (multimodal sentiment analysis, multimodal speaker traits recognition, and video retrieval), the experimental results show that MAN could achieve competitive results compared with the state-of-the-art methods, showcasing the effectiveness of the approximation decomposition and addition random features mechanism.

Recently, there is a growing interest in studying pairwise learning since it includes many important machine learning tasks as specific examples, e.g., metric learning, AUC maximization and ranking. While stochastic gradient descent (SGD) is an efficient method, there is a lacking study on its generalization behavior for pairwise learning. In this paper, we present a systematic study on the generalization analysis of SGD for pairwise learning to understand the balance between generalization and optimization. We develop a novel high-probability generalization bound for uniformly-stable algorithms to incorporate the variance information for better generalization, based on which we establish the first nonsmooth learning algorithm to achieve almost optimal high-probability and dimension-independent generalization bounds in linear time. We consider both convex and nonconvex pairwise learning problems. Our stability analysis for convex problems shows how the interpolation can help generalization. We establish a uniform convergence of gradients, and apply it to derive the first generalization bounds on population gradients for nonconvex problems. Finally, we develop better generalization bounds for gradient-dominated problems.

This study develops a calibrated beam-based algorithm with awareness of the global attention distribution for neural abstractive summarization, aiming to improve the local optimality problem of the original beam search in a rigorous way. Specifically, a novel global protocol is proposed based on the attention distribution to stipulate how a global optimal hypothesis should attend to the source. A global scoring mechanism is then developed to regulate beam search to generate summaries in a near-global optimal fashion. This novel design enjoys a distinctive property, i.e., the global attention distribution could be predicted before inference, enabling step-wise improvements on the beam search through the global scoring mechanism. Extensive experiments on nine datasets show that the global (attention)-aware inference significantly improves state-of-the-art summarization models even using empirical hyper-parameters. The algorithm is also proven robust as it remains to generate meaningful texts with corrupted attention distributions. The codes and a comprehensive set of examples are available.

We study a real-time iteration (RTI) scheme for solving online optimization problem appeared in nonlinear optimal control. The proposed RTI scheme modifies the existing RTI-based model predictive control (MPC) algorithm, by selecting the stepsize of each Newton step at each sampling time using a differentiable exact augmented Lagrangian. The scheme can adaptively select the penalty parameters of augmented Lagrangian on the fly, which are shown to be stabilized after certain time periods. We prove under generic assumptions that, by involving stepsize selection instead of always using a full Newton step (like what most of the existing RTIs do), the scheme converges globally: for any initial point, the KKT residuals of the subproblems converge to zero. A key step is to show that augmented Lagrangian keeps decreasing as horizon moves forward. We demonstrate the global convergence behavior of the proposed RTI scheme in a numerical experiment.

Deep Reinforcement Learning (RL) powered by neural net approximation of the Q function has had enormous empirical success. While the theory of RL has traditionally focused on linear function approximation (or eluder dimension) approaches, little is known about nonlinear RL with neural net approximations of the Q functions. This is the focus of this work, where we study function approximation with two-layer neural networks (considering both ReLU and polynomial activation functions). Our first result is a computationally and statistically efficient algorithm in the generative model setting under completeness for two-layer neural networks. Our second result considers this setting but under only realizability of the neural net function class. Here, assuming deterministic dynamics, the sample complexity scales linearly in the algebraic dimension. In all cases, our results significantly improve upon what can be attained with linear (or eluder dimension) methods.

In collaborative machine learning(CML), multiple agents pool their resources(e.g., data) together for a common learning task. In realistic CML settings where the agents are self-interested and not altruistic, they may be unwilling to share data or model information without adequate rewards. Furthermore, as the data/model information shared by the agents may differ in quality, designing rewards which are fair to them is important so that they would not feel exploited nor discouraged from sharing. In this paper, we adopt federated learning as the CML paradigm, propose a novel cosine gradient Shapley value(CGSV) to fairly evaluate the expected marginal contribution of each agent’s uploaded model parameter update/gradient without needing an auxiliary validation dataset, and based on the CGSV, design a novel training-time gradient reward mechanism with a fairness guarantee by sparsifying the aggregated parameter update/gradient downloaded from the server as reward to each agent such that its resulting quality is commensurate to that of the agent’s uploaded parameter update/gradient. We empirically demonstrate the effectiveness of our fair gradient reward mechanism on multiple benchmark datasets in terms of fairness, predictive performance, and time overhead.
Discovering ideal Graph Neural Networks (GNNs) architectures for different tasks is labor intensive and time consuming. To save human efforts, Neural Architecture Search (NAS) recently has been used to automatically discover adequate GNN architectures for certain tasks in order to achieve competitive or even better performance compared with manually designed architectures. However, existing works utilizing NAS to search GNN structures fail to answer the question: how NAS is able to select the desired GNN architectures? In this paper, we investigate this question to solve the problem, for the first time. We conduct a measurement study with experiments to discover that gradient based NAS methods tend to select proper architectures based on the usefulness of different types of information with respect to the target task. Our explorations further show that gradient based NAS also suffers from noises hidden in the graph, resulting in searching suboptimal GNN architectures. Based on our findings, we propose a Graph differentiable Architecture Search model with Structure Optimization (GASSO), which allows differentiable search of the architecture with gradient descent and is able to discover graph neural architectures with better performance through employing graph structure learning as a denoising process in the search procedure. The proposed GASSO model …

The interdependence between nodes in graphs is key to improve class prediction on nodes, utilized in approaches like Label Probagation (LP) or in Graph Neural Networks (GNNs). Nonetheless, uncertainty estimation for non-independent node-level predictions is under-explored. In this work, we explore uncertainty quantification for node classification in three ways: (1) We derive three axioms explicitly characterizing the expected predictive uncertainty behavior in homophilic attributed graphs.(2) We propose a new model Graph Posterior Network (GPN) which explicitly performs Bayesian posterior updates for predictions on interdependent nodes. GPN provably obeys the proposed axioms. (3) We extensively evaluate GPN and a strong set of baselines on semi-supervised node classification including detection of anomalous features, and detection of left-out classes. GPN outperforms existing approaches for uncertainty estimation in the experiments.

Learning the distribution of future trajectories conditioned on the past is a crucial problem for understanding multi-agent systems. This is challenging because humans make decisions based on complex social relations and personal intents, resulting in highly complex uncertainties over trajectories. To address this problem, we propose a conditional deep generative model that combines advances in graph neural networks. The prior and recognition model encodes two types of latent codes for each agent: an inter-agent latent code to represent social relations and an intra-agent latent code to represent agent intentions. The decoder is carefully devised to leverage the codes in a disentangled way to predict multi-modal future trajectory distribution. Specifically, a graph attention network built upon inter-agent latent code is used to learn continuous pair-wise relations, and an agent's motion is controlled by its latent intents and its observations of all other agents. Through experiments on both synthetic and real-world datasets, we show that our model outperforms previous work in multiple performance metrics. We also show that our model generates realistic multi-modal trajectories.

We introduce Habitat 2.0 (H2.0), a simulation platform for training virtual robots in interactive 3D environments and complex physics-enabled scenarios. We make comprehensive contributions to all levels of the embodied AI stack – data, simulation, and benchmark tasks. Specifically, we present: (i) ReplicaCAD: an artist-authored, annotated, reconfigurable 3D dataset of apartments (matching real spaces) with articulated objects (e.g. cabinets and drawers that can open/close); (ii) H2.0: a high-performance physics-enabled 3D simulator with speeds exceeding 25,000 simulation steps per second (850x real-time) on an 8-GPU node, representing 100x speed-ups over prior work; and, (iii) Home Assistant Benchmark (HAB): a suite of common tasks for assistive robots (tidy the house, stock groceries, set the table) that test a range of mobile manipulation capabilities. These large-scale engineering contributions allow us to systematically compare deep reinforcement learning (RL) at scale and classical sense-plan-act (SPA) pipelines in long-horizon structured tasks, with an emphasis on generalization to new objects, receptacles, and layouts. We find that (1) flat RL policies struggle on HAB compared to hierarchical ones; (2) a hierarchy with independent skills suffers from ‘hand-off problems’, and (3) SPA pipelines are more brittle than RL policies.

For deployment, neural architecture search should be hardware-aware, in order to satisfy the device-specific constraints (e.g., memory usage, latency and energy consumption) and enhance the model efficiency. Existing methods on hardware-aware NAS collect a large number of samples (e.g., accuracy and latency) from a target device, either builds a lookup table or a latency estimator. However, such approach is impractical in real-world scenarios as there exist numerous devices with different hardware specifications, and collecting samples from such a large number of devices will require prohibitive computational and monetary cost. To overcome such limitations, we propose Hardware-adaptive Efficient Latency Predictor (HELP), which formulates the device-specific latency estimation problem as a meta-learning problem, such that we can estimate the latency of a model's performance for a given task on an unseen device with a few samples. To this end, we introduce novel hardware embeddings to embed any devices considering them as black-box functions that output latencies, and meta-learn the hardware-adaptive latency predictor in a device-dependent manner, using the hardware embeddings. We validate the proposed HELP for its latency estimation performance on unseen platforms, on which it achieves high estimation performance with as few as 10 measurement samples, outperforming all relevant baselines. We …

Vision-and-language navigation (VLN) aims to build autonomous visual agents that follow instructions and navigate in real scenes. To remember previously visited locations and actions taken, most approaches to VLN implement memory using recurrent states. Instead, we introduce a History Aware Multimodal Transformer (HAMT) to incorporate a long-horizon history into multimodal decision making. HAMT efficiently encodes all the past panoramic observations via a hierarchical vision transformer (ViT), which first encodes individual images with ViT, then models spatial relation between images in a panoramic observation and finally takes into account temporal relation between panoramas in the history. It, then, jointly combines text, history and current observation to predict the next action. We first train HAMT end-to-end using several proxy tasks including single step action prediction and spatial relation prediction, and then use reinforcement learning to further improve the navigation policy. HAMT achieves new state of the art on a broad range of VLN tasks, including VLN with fine-grained instructions (R2R, RxR), high-level instructions (R2R-Last, REVERIE), dialogs (CVDN) as well as long-horizon VLN (R4R, R2R-Back). We demonstrate HAMT to be particularly effective for navigation tasks with longer trajectories.


Zero-shot learning (ZSL) tackles the unseen class recognition problem, transferring semantic knowledge from seen classes to unseen ones. Typically, to guarantee desirable knowledge transfer, a common (latent) space is adopted for associating the visual and semantic domains in ZSL. However, existing common space learning methods align the semantic and visual domains by merely mitigating distribution disagreement through one-step adaptation. This strategy is usually ineffective due to the heterogeneous nature of the feature representations in the two domains, which intrinsically contain both distribution and structure variations. To address this and advance ZSL, we propose a novel hierarchical semantic-visual adaptation (HSVA) framework. Specifically, HSVA aligns the semantic and visual domains by adopting a hierarchical two-step adaptation, i.e., structure adaptation and distribution adaptation. In the structure adaptation step, we take two task-specific encoders to encode the source data (visual domain) and the target data (semantic domain) into a structure-aligned common space. To this end, a supervised adversarial discrepancy (SAD) module is proposed to adversarially minimize the discrepancy between the predictions of two task-specific classifiers, thus making the visual and semantic feature manifolds more closely aligned. In the distribution adaptation step, we directly minimize the Wasserstein distance between the latent multivariate Gaussian distributions to …

Spatial verification is a crucial technique for particular object retrieval. It utilizes spatial information for the accurate detection of true positive images. However, existing query expansion and diffusion methods cannot efficiently propagate the spatial information in an ordinary graph with scalar edge weights, resulting in low recall or precision. To tackle these problems, we propose a novel hypergraph-based framework that efficiently propagates spatial information in query time and retrieves an object in the database accurately. Additionally, we propose using the image graph's structure information through community selection technique, to measure the accuracy of the initial search result and to provide correct starting points for hypergraph propagation without heavy spatial verification computations. Experiment results on ROxford and RParis show that our method significantly outperforms the existing query expansion and diffusion methods.


Inverse reinforcement learning attempts to reconstruct the reward function in a Markov decision problem, using observations of agent actions. As already observed in Russell [1998] the problem is ill-posed, and the reward function is not identifiable, even under the presence of perfect information about optimal behavior. We provide a resolution to this non-identifiability for problems with entropy regularization. For a given environment, we fully characterize the reward functions leading to a given policy and demonstrate that, given demonstrations of actions for the same reward under two distinct discount factors, or under sufficiently different environments, the unobserved reward can be recovered up to a constant. We also give general necessary and sufficient conditions for reconstruction of time-homogeneous rewards on finite horizons, and for action-independent rewards, generalizing recent results of Kim et al. [2021] and Fu et al. [2018].

The reliable identification of the “best” arm while keeping the sample complexity as low as possible is a common task in the field of multi-armed bandits. In the multi-dueling variant of multi-armed bandits, where feedback is provided in the form of a winning arm among as set of k chosen ones, a reasonable notion of best arm is the generalized Condorcet winner (GCW). The latter is an the arm that has the greatest probability of being the winner in each subset containing it. In this paper, we derive lower bounds on the sample complexity for the task of identifying the GCW under various assumptions. As a by-product, our lower bound results provide new insights for the special case of dueling bandits (k = 2). We propose the Dvoretzky–Kiefer–Wolfowitz tournament (DKWT) algorithm, which we prove to be nearly optimal. In a numerical study, we show that DKWT empirically outperforms current state-of-the-art algorithms, even in the special case of dueling bandits or under a Plackett-Luce assumption on the feedback mechanism.



Independent component analysis provides a principled framework for unsupervised representation learning, with solid theory on the identifiability of the latent code that generated the data, given only observations of mixtures thereof. Unfortunately, when the mixing is nonlinear, the model is provably nonidentifiable, since statistical independence alone does not sufficiently constrain the problem. Identifiability can be recovered in settings where additional, typically observed variables are included in the generative process. We investigate an alternative path and consider instead including assumptions reflecting the principle of independent causal mechanisms exploited in the field of causality. Specifically, our approach is motivated by thinking of each source as independently influencing the mixing process. This gives rise to a framework which we term independent mechanism analysis. We provide theoretical and empirical evidence that our approach circumvents a number of nonidentifiability issues arising in nonlinear blind source separation.

The aim of knowledge graph (KG) completion is to extend an incomplete KG with missing triples. Popular approaches based on graph embeddings typically work by first representing the KG in a vector space, and then applying a predefined scoring function to the resulting vectors to complete the KG. These approaches work well in transductive settings, where predicted triples involve only constants seen during training; however, they are not applicable in inductive settings, where the KG on which the model was trained is extended with new constants or merged with other KGs. The use of Graph Neural Networks (GNNs) has recently been proposed as a way to overcome these limitations; however, existing approaches do not fully exploit the capabilities of GNNs and still rely on heuristics and ad-hoc scoring functions. In this paper, we propose a novel approach, where the KG is fully encoded into a GNN in a transparent way, and where the predicted triples can be read out directly from the last layer of the GNN without the need for additional components or scoring functions. Our experiments show that our model outperforms state-of-the-art approaches on inductive KG completion benchmarks.

For many reinforcement learning (RL) applications, specifying a reward is difficult. In this paper, we consider an RL setting where the agent can obtain information about the reward only by querying an expert that can, for example, evaluate individual states or provide binary preferences over trajectories. From such expensive feedback, we aim to learn a model of the reward function that allows standard RL algorithms to achieve high expected return with as few expert queries as possible. For this purpose, we propose Information Directed Reward Learning (IDRL), which uses a Bayesian model of the reward function and selects queries that maximize the information gain about the difference in return between potentially optimal policies. In contrast to prior active reward learning methods designed for specific types of queries, IDRL naturally accommodates different query types. Moreover, by shifting the focus from reducing the reward approximation error to improving the policy induced by the reward model, it achieves similar or better performance with significantly fewer queries. We support our findings with extensive evaluations in multiple environments and with different types of queries.
Mean estimation under differential privacy is a fundamental problem, but worst-case optimal mechanisms do not offer meaningful utility guarantees in practice when the global sensitivity is very large. Instead, various heuristics have been proposed to reduce the error on real-world data that do not resemble the worst-case instance. This paper takes a principled approach, yielding a mechanism that is instance-optimal in a strong sense. In addition to its theoretical optimality, the mechanism is also simple and practical, and adapts to a variety of data characteristics without the need of parameter tuning. It easily extends to the local and shuffle model as well.


While probabilistic models are an important tool for studying causality, doing so suffers from the intractability of inference. As a step towards tractable causal models, we consider the problem of learning interventional distributions using sum-product networks (SPNs) that are over-parameterized by gate functions, e.g., neural networks. Providing an arbitrarily intervened causal graph as input, effectively subsuming Pearl's do-operator, the gate function predicts the parameters of the SPN. The resulting interventional SPNs are motivated and illustrated by a structural causal model themed around personal health. Our empirical evaluation against competing methods from both generative and causal modelling demonstrates that interventional SPNs indeed are both expressive and causally adequate.

Disobeying the classical wisdom of statistical learning theory, modern deep neural networks generalize well even though they typically contain millions of parameters. Recently, it has been shown that the trajectories of iterative optimization algorithms can possess \emph{fractal structures}, and their generalization error can be formally linked to the complexity of such fractals. This complexity is measured by the fractal's \emph{intrinsic dimension}, a quantity usually much smaller than the number of parameters in the network. Even though this perspective provides an explanation for why overparametrized networks would not overfit, computing the intrinsic dimension (\eg, for monitoring generalization during training) is a notoriously difficult task, where existing methods typically fail even in moderate ambient dimensions. In this study, we consider this problem from the lens of topological data analysis (TDA) and develop a generic computational tool that is built on rigorous mathematical foundations. By making a novel connection between learning theory and TDA, we first illustrate that the generalization error can be equivalently bounded in terms of a notion called the 'persistent homology dimension' (PHD), where, compared with prior work, our approach does not require any additional geometrical or statistical assumptions on the training dynamics. Then, by utilizing recently established theoretical results …
Invariant Risk Minimization (IRM) is a recently proposed framework for out-of-distribution (o.o.d) generalization. Most of the studies on IRM so far have focused on theoretical results, toy problems, and simple models. In this work, we investigate the applicability of IRM to bias mitigation-a special case of o.o.d generalization-in increasingly naturalistic settings and deep models. Using natural language inference (NLI) as a test case, we start with a setting where both the dataset and the bias are synthetic, continue with a natural dataset and synthetic bias, and end with a fully realistic setting with natural datasets and bias. Our results show that in naturalistic settings, learning complex features in place of the bias proves to be difficult, leading to a rather small improvement over empirical risk minimization. Moreover, we find that in addition to being sensitive to random seeds, the performance of IRM also depends on several critical factors, notably dataset size, bias prevalence, and bias strength, thus limiting IRM's advantage in practical scenarios. Our results highlight key challenges in applying IRM to real-world scenarios, calling for a more naturalistic characterization of the problem setup for o.o.d generalization.

We present a sound and complete algorithm, called iterative causal discovery (ICD), for recovering causal graphs in the presence of latent confounders and selection bias. ICD relies on the causal Markov and faithfulness assumptions and recovers the equivalence class of the underlying causal graph. It starts with a complete graph, and consists of a single iterative stage that gradually refines this graph by identifying conditional independence (CI) between connected nodes. Independence and causal relations entailed after any iteration are correct, rendering ICD anytime. Essentially, we tie the size of the CI conditioning set to its distance on the graph from the tested nodes, and increase this value in the successive iteration. Thus, each iteration refines a graph that was recovered by previous iterations having smaller conditioning sets---a higher statistical power---which contributes to stability. We demonstrate empirically that ICD requires significantly fewer CI tests and learns more accurate causal graphs compared to FCI, FCI+, and RFCI algorithms.

In recent years there has been increasing interest in leveraging denoisers for solving general inverse problems. Two leading frameworks are regularization-by-denoising (RED) and plug-and-play priors (PnP) which incorporate explicit likelihood functions with priors induced by denoising algorithms. RED and PnP have shown state-of-the-art performance in diverse imaging tasks when powerful denoisersare used, such as convolutional neural networks (CNNs). However, the study of their convergence remains an active line of research. Recent works derive the convergence of RED and PnP methods by treating CNN denoisers as approximations for maximum a posteriori (MAP) or minimum mean square error (MMSE) estimators. Yet, state-of-the-art denoisers cannot be interpreted as either MAPor MMSE estimators, since they typically do not exhibit symmetric Jacobians. Furthermore, obtaining stable inverse algorithms often requires controlling the Lipschitz constant of CNN denoisers during training. Precisely enforcing this constraint is impractical, hence, convergence cannot be completely guaranteed. In this work, we introduce image denoisers derived as the gradients of smooth scalar-valued deep neural networks, acting as potentials. This ensures two things: (1) the proposed denoisers display symmetric Jacobians, allowing for MAP and MMSE estimators interpretation; (2) the denoisers may be integrated into RED and PnP schemes with backtracking step size, removing the …

Traditional methods for kernel selection rely on parametric kernel functions or a combination thereof and although the kernel hyperparameters are tuned, these methods often provide sub-optimal results due to the limitations induced by the parametric forms. In this paper, we propose a novel formulation for kernel selection using efficient Bayesian optimisation to find the best fitting non-parametric kernel. The kernel is expressed using a linear combination of functions sampled from a prior Gaussian Process (GP) defined by a hyperkernel. We also provide a mechanism to ensure the positive definiteness of the Gram matrix constructed using the resultant kernels. Our experimental results on GP regression and Support Vector Machine (SVM) classification tasks involving both synthetic functions and several real-world datasets show the superiority of our approach over the state-of-the-art.

Humans and animals have a natural ability to quickly adapt to their surroundings, but machine-learning models, when subjected to changes, often require a complete retraining from scratch. We present Knowledge-adaptation priors (K-priors) to reduce the cost of retraining by enabling quick and accurate adaptation for a wide-variety of tasks and models. This is made possible by a combination of weight and function-space priors to reconstruct the gradients of the past, which recovers and generalizes many existing, but seemingly-unrelated, adaptation strategies. Training with simple first-order gradient methods can often recover the exact retrained model to an arbitrary accuracy by choosing a sufficiently large memory of the past data. Empirical results show that adaptation with K-priors achieves performance similar to full retraining, but only requires training on a handful of past examples.

Keyword search is a fundamental task to retrieve information that is the most relevant to the query keywords. Keyword search over graphs aims to find subtrees or subgraphs containing all query keywords ranked according to some criteria. Existing studies all assume that the graphs have complete information. However, real-world graphs may contain some missing information (such as edges or keywords), thus making the problem much more challenging. To solve the problem of keyword search over incomplete graphs, we propose a novel model named KS-GNN based on the graph neural network and the auto-encoder. By considering the latent relationships and the frequency of different keywords, the proposed KS-GNN aims to alleviate the effect of missing information and is able to learn low-dimensional representative node embeddings that preserve both graph structure and keyword features. Our model can effectively answer keyword search queries with linear time complexity over incomplete graphs. The experiments on four real-world datasets show that our model consistently achieves better performance than state-of-the-art baseline methods in graphs having missing information.

Goal-conditioned hierarchical reinforcement learning (HRL) has shown promising results for solving complex and long-horizon RL tasks. However, the action space of high-level policy in the goal-conditioned HRL is often large, so it results in poor exploration, leading to inefficiency in training. In this paper, we present HIerarchical reinforcement learning Guided by Landmarks (HIGL), a novel framework for training a high-level policy with a reduced action space guided by landmarks, i.e., promising states to explore. The key component of HIGL is twofold: (a) sampling landmarks that are informative for exploration and (b) encouraging the high level policy to generate a subgoal towards a selected landmark. For (a), we consider two criteria: coverage of the entire visited state space (i.e., dispersion of states) and novelty of states (i.e., prediction error of a state). For (b), we select a landmark as the very first landmark in the shortest path in a graph whose nodes are landmarks. Our experiments demonstrate that our framework outperforms prior-arts across a variety of control tasks, thanks to efficient exploration guided by landmarks.

Deep state-space models (DSSMs) enable temporal predictions by learning the underlying dynamics of observed sequence data. They are often trained by maximising the evidence lower bound. However, as we show, this does not ensure the model actually learns the underlying dynamics. We therefore propose a constrained optimisation framework as a general approach for training DSSMs. Building upon this, we introduce the extended Kalman VAE (EKVAE), which combines amortised variational inference with classic Bayesian filtering/smoothing to model dynamics more accurately than RNN-based DSSMs. Our results show that the constrained optimisation framework significantly improves system identification and prediction accuracy on the example of established state-of-the-art DSSMs. The EKVAE outperforms previous models w.r.t. prediction accuracy, achieves remarkable results in identifying dynamical systems, and can furthermore successfully learn state-space representations where static and dynamic features are disentangled.


Training-time safety violations have been a major concern when we deploy reinforcement learning algorithms in the real world.This paper explores the possibility of safe RL algorithms with zero training-time safety violations in the challenging setting where we are only given a safe but trivial-reward initial policy without any prior knowledge of the dynamics and additional offline data.We propose an algorithm, Co-trained Barrier Certificate for Safe RL (CRABS), which iteratively learns barrier certificates, dynamics models, and policies. The barrier certificates are learned via adversarial training and ensure the policy's safety assuming calibrated learned dynamics. We also add a regularization term to encourage larger certified regions to enable better exploration. Empirical simulations show that zero safety violations are already challenging for a suite of simple environments with only 2-4 dimensional state space, especially if high-reward policies have to visit regions near the safety boundary. Prior methods require hundreds of violations to achieve decent rewards on these tasks, whereas our proposed algorithms incur zero violations.

Teacher-student models provide a framework in which the typical-case performance of high-dimensional supervised learning can be described in closed form. The assumptions of Gaussian i.i.d. input data underlying the canonical teacher-student model may, however, be perceived as too restrictive to capture the behaviour of realistic data sets. In this paper, we introduce a Gaussian covariate generalisation of the model where the teacher and student can act on different spaces, generated with fixed, but generic feature maps. While still solvable in a closed form, this generalization is able to capture the learning curves for a broad range of realistic data sets, thus redeeming the potential of the teacher-student framework. Our contribution is then two-fold: first, we prove a rigorous formula for the asymptotic training loss and generalisation error. Second, we present a number of situations where the learning curve of the model captures the one of a realistic data set learned with kernel regression and classification, with out-of-the-box feature maps such as random projections or scattering transforms, or with pre-learned ones - such as the features learned by training multi-layer neural networks. We discuss both the power and the limitations of the framework.

We focus on the problem of efficient sampling and learning of probability densities by incorporating symmetries in probabilistic models. We first introduce Equivariant Stein Variational Gradient Descent algorithm -- an equivariant sampling method based on Stein's identity for sampling from densities with symmetries. Equivariant SVGD explicitly incorporates symmetry information in a density through equivariant kernels which makes the resultant sampler efficient both in terms of sample complexity and the quality of generated samples. Subsequently, we define equivariant energy based models to model invariant densities that are learned using contrastive divergence. By utilizing our equivariant SVGD for training equivariant EBMs, we propose new ways of improving and scaling up training of energy based models. We apply these equivariant energy models for modelling joint densities in regression and classification tasks for image datasets, many-body particle systems and molecular structure generation.

Learning how complex dynamical systems evolve over time is a key challenge in system identification. For safety critical systems, it is often crucial that the learned model is guaranteed to converge to some equilibrium point. To this end, neural ODEs regularized with neural Lyapunov functions are a promising approach when states are fully observed. For practical applications however, {\em partial observations} are the norm. As we will demonstrate, initialization of unobserved augmented states can become a key problem for neural ODEs. To alleviate this issue, we propose to augment the system's state with its history. Inspired by state augmentation in discrete-time systems, we thus obtain {\em neural delay differential equations}. Based on classical time delay stability analysis, we then show how to ensure stability of the learned models, and theoretically analyze our approach. Our experiments demonstrate its applicability to stable system identification of partially observed systems and learning a stabilizing feedback policy in delayed feedback control.

In recent years, several results in the supervised learning setting suggested that classical statistical learning-theoretic measures, such as VC dimension, do not adequately explain the performance of deep learning models which prompted a slew of work in the infinite-width and iteration regimes. However, there is little theoretical explanation for the success of neural networks beyond the supervised setting. In this paper we argue that, under some distributional assumptions, classical learning-theoretic measures can sufficiently explain generalization for graph neural networks in the transductive setting. In particular, we provide a rigorous analysis of the performance of neural networks in the context of transductive inference, specifically by analysing the generalisation properties of graph convolutional networks for the problem of node classification. While VC-dimension does result in trivial generalisation error bounds in this setting as well, we show that transductive Rademacher complexity can explain the generalisation properties of graph convolutional networks for stochastic block models. We further use the generalisation error bounds based on transductive Rademacher complexity to demonstrate the role of graph convolutions and network architectures in achieving smaller generalisation error and provide insights into when the graph structure can help in learning. The findings of this paper could re-new the interest in …

The goal of program synthesis from examples is to find a computer program that is consistent with a given set of input-output examples. Most learning-based approaches try to find a program that satisfies all examples at once. Our work, by contrast, considers an approach that breaks the problem into two stages: (a) find programs that satisfy only one example, and (b) leverage these per-example solutions to yield a program that satisfies all examples. We introduce the Cross Aggregator neural network module based on a multi-head attention mechanism that learns to combine the cues present in these per-example solutions to synthesize a global solution. Evaluation across programs of different lengths and under two different experimental settings reveal that when given the same time budget, our technique significantly improves the success rate over PCCoder [Zohar et. al 2018] and other ablation baselines.


In this paper, we propose a novel lip-to-speech generative adversarial network, Visual Context Attentional GAN (VCA-GAN), which can jointly model local and global lip movements during speech synthesis. Specifically, the proposed VCA-GAN synthesizes the speech from local lip visual features by finding a mapping function of viseme-to-phoneme, while global visual context is embedded into the intermediate layers of the generator to clarify the ambiguity in the mapping induced by homophene. To achieve this, a visual context attention module is proposed where it encodes global representations from the local visual features, and provides the desired global visual context corresponding to the given coarse speech representation to the generator through audio-visual attention. In addition to the explicit modelling of local and global visual representations, synchronization learning is introduced as a form of contrastive learning that guides the generator to synthesize a speech in sync with the given input lip movements. Extensive experiments demonstrate that the proposed VCA-GAN outperforms existing state-of-the-art and is able to effectively synthesize the speech from multi-speaker that has been barely handled in the previous works.

Most existing temporal action localization (TAL) methods rely on a transfer learning pipeline: by first optimizing a video encoder on a large action classification dataset (i.e., source domain), followed by freezing the encoder and training a TAL head on the action localization dataset (i.e., target domain). This results in a task discrepancy problem for the video encoder – trained for action classification, but used for TAL. Intuitively, joint optimization with both the video encoder and TAL head is a strong baseline solution to this discrepancy. However, this is not operable for TAL subject to the GPU memory constraints, due to the prohibitive computational cost in processing long untrimmed videos. In this paper, we resolve this challenge by introducing a novel low-fidelity (LoFi) video encoder optimization method. Instead of always using the full training configurations in TAL learning, we propose to reduce the mini-batch composition in terms of temporal, spatial, or spatio-temporal resolution so that jointly optimizing the video encoder and TAL head becomes operable under the same memory conditions of a mid-range hardware budget. Crucially, this enables the gradients to flow backwards through the video encoder conditioned on a TAL supervision loss, favourably solving the task discrepancy problem and providing …

The latent space of a Generative Adversarial Network (GAN) has been shown to encode rich semantics within some subspaces. To identify these subspaces, researchers typically analyze the statistical information from a collection of synthesized data, and the identified subspaces tend to control image attributes globally (i.e., manipulating an attribute causes the change of an entire image). By contrast, this work introduces low-rank subspaces that enable more precise control of GAN generation. Concretely, given an arbitrary image and a region of interest (e.g., eyes of face images), we manage to relate the latent space to the image region with the Jacobian matrix and then use low-rank factorization to discover steerable latent subspaces. There are three distinguishable strengths of our approach that can be aptly called LowRankGAN. First, compared to analytic algorithms in prior work, our low-rank factorization of Jacobians is able to find the low-dimensional representation of attribute manifold, making image editing more precise and controllable. Second, low-rank factorization naturally yields a null space of attributes such that moving the latent code within it only affects the outer region of interest. Therefore, local image editing can be simply achieved by projecting an attribute vector into the null space without relying on …
We study online learning for optimal allocation when the resource to be allocated is time. An agent receives task proposals sequentially according to a Poisson process and can either accept or reject a proposed task. If she accepts the proposal, she is busy for the duration of the task and obtains a reward that depends on the task duration. If she rejects it, she remains on hold until a new task proposal arrives. We study the regret incurred by the agent first when she knows her reward function but does not know the distribution of the task duration, and then when she does not know her reward function, either. Faster rates are finally obtained by adding structural assumptions on the distribution of rides or on the reward function. This natural setting bears similarities with contextual (one-armed) bandits, but with the crucial difference that the normalized reward associated to a context depends on the whole distribution of contexts.


The ratio of two probability densities, called a density-ratio, is a vital quantity in machine learning. In particular, a relative density-ratio, which is a bounded extension of the density-ratio, has received much attention due to its stability and has been used in various applications such as outlier detection and dataset comparison. Existing methods for (relative) density-ratio estimation (DRE) require many instances from both densities. However, sufficient instances are often unavailable in practice. In this paper, we propose a meta-learning method for relative DRE, which estimates the relative density-ratio from a few instances by using knowledge in related datasets. Specifically, given two datasets that consist of a few instances, our model extracts the datasets' information by using neural networks and uses it to obtain instance embeddings appropriate for the relative DRE. We model the relative density-ratio by a linear model on the embedded space, whose global optimum solution can be obtained as a closed-form solution. The closed-form solution enables fast and effective adaptation to a few instances, and its differentiability enables us to train our model such that the expected test error for relative DRE can be explicitly minimized after adapting to a few instances. We empirically demonstrate the effectiveness of …

Missing data is an important problem in machine learning practice. Starting from the premise that imputation methods should preserve the causal structure of the data, we develop a regularization scheme that encourages any baseline imputation method to be causally consistent with the underlying data generating mechanism. Our proposal is a causally-aware imputation algorithm (MIRACLE). MIRACLE iteratively refines the imputation of a baseline by simultaneously modeling the missingness generating mechanism, encouraging imputation to be consistent with the causal structure of the data. We conduct extensive experiments on synthetic and a variety of publicly available datasets to show that MIRACLE is able to consistently improve imputation over a variety of benchmark methods across all three missingness scenarios: at random, completely at random, and not at random.

Time series forecasting is widely used in business intelligence, e.g., forecast stock market price, sales, and help the analysis of data trend. Most time series of interest are macroscopic time series that are aggregated from microscopic data. However, instead of directly modeling the macroscopic time series, rare literature studied the forecasting of macroscopic time series by leveraging data on the microscopic level. In this paper, we assume that the microscopic time series follow some unknown mixture probabilistic distributions. We theoretically show that as we identify the ground truth latent mixture components, the estimation of time series from each component could be improved because of lower variance, thus benefitting the estimation of macroscopic time series as well. Inspired by the power of Seq2seq and its variants on the modeling of time series data, we propose Mixture of Seq2seq (MixSeq), an end2end mixture model to cluster microscopic time series, where all the components come from a family of Seq2seq models parameterized by different parameters. Extensive experiments on both synthetic and real-world data show the superiority of our approach.

Model-based reinforcement learning aims to improve the sample efficiency of policy learning by modeling the dynamics of the environment. Recently, the latent dynamics model is further developed to enable fast planning in a compact space. It summarizes the high-dimensional experiences of an agent, which mimics the memory function of humans. Learning policies via imagination with the latent model shows great potential for solving complex tasks. However, only considering memories from the true experiences in the process of imagination could limit its advantages. Inspired by the memory prosthesis proposed by neuroscientists, we present a novel model-based reinforcement learning framework called Imagining with Derived Memory (IDM). It enables the agent to learn policy from enriched diverse imagination with prediction-reliability weight, thus improving sample efficiency and policy robustness. Experiments on various high-dimensional visual control tasks in the DMControl benchmark demonstrate that IDM outperforms previous state-of-the-art methods in terms of policy robustness and further improves the sample efficiency of the model-based method.

Recent evidence has shown the existence of a so-called double-descent and even triple-descent behavior for the generalization error of deep-learning models. This important phenomenon commonly appears in implemented neural network architectures, and also seems to emerge in epoch-wise curves during the training process. A recent line of research has highlighted that random matrix tools can be used to obtain precise analytical asymptotics of the generalization (and training) errors of the random feature model. In this contribution, we analyze the whole temporal behavior of the generalization and training errors under gradient flow for the random feature model. We show that in the asymptotic limit of large system size the full time-evolution path of both errors can be calculated analytically. This allows us to observe how the double and triple descents develop over time, if and when early stopping is an option, and also observe time-wise descent structures. Our techniques are based on Cauchy complex integral representations of the errors together with recent random matrix methods based on linear pencils.

We develop a novel method for carrying out model selection for Bayesian autoencoders (BAEs) by means of prior hyper-parameter optimization. Inspired by the common practice of type-II maximum likelihood optimization and its equivalence to Kullback-Leibler divergence minimization, we propose to optimize the distributional sliced-Wasserstein distance (DSWD) between the output of the autoencoder and the empirical data distribution. The advantages of this formulation are that we can estimate the DSWD based on samples and handle high-dimensional problems. We carry out posterior estimation of the BAE parameters via stochastic gradient Hamiltonian Monte Carlo and turn our BAE into a generative model by fitting a flexible Dirichlet mixture model in the latent space. Thanks to this approach, we obtain a powerful alternative to variational autoencoders, which are the preferred choice in modern application of autoencoders for representation learning with uncertainty. We evaluate our approach qualitatively and quantitatively using a vast experimental campaign on a number of unsupervised learning tasks and show that, in small-data regimes where priors matter, our approach provides state-of-the-art results, outperforming multiple competitive baselines.

We present a framework for transfer learning based on modular variational Gaussian processes (GP). We develop a module-based method that having a dictionary of well fitted GPs, each model being characterised by its hyperparameters, pseudo-inputs and their corresponding posterior densities, one could build ensemble GP models without revisiting any data. Our method avoids undesired data centralisation, reduces rising computational costs and allows the transfer of learned uncertainty metrics after training. We exploit the augmentation of high-dimensional integral operators based on the Kullback-Leibler divergence between stochastic processes to introduce an efficient lower bound under all the sparse variational GPs, with different complexity and even likelihood distribution. The method is also valid for multi-output GPs, learning correlations a posteriori between independent modules. Extensive results illustrate the usability of our framework in large-scale and multi-task experiments, also compared with the exact inference methods in the literature.

Knowledge distillation~(KD) aims to craft a compact student model that imitates the behavior of a pre-trained teacher in a target domain. Prior KD approaches, despite their gratifying results, have largely relied on the premise that \emph{in-domain} data is available to carry out the knowledge transfer. Such an assumption, unfortunately, in many cases violates the practical setting, since the original training data or even the data domain is often unreachable due to privacy or copyright reasons. In this paper, we attempt to tackle an ambitious task, termed as \emph{out-of-domain} knowledge distillation~(OOD-KD), which allows us to conduct KD using only OOD data that can be readily obtained at a very low cost. Admittedly, OOD-KD is by nature a highly challenging task due to the agnostic domain gap. To this end, we introduce a handy yet surprisingly efficacious approach, dubbed as~\textit{MosaicKD}. The key insight behind MosaicKD lies in that, samples from various domains share common local patterns, even though their global semantic may vary significantly; these shared local patterns, in turn, can be re-assembled analogous to mosaic tiling, to approximate the in-domain data and to further alleviating the domain discrepancy. In MosaicKD, this is achieved through a four-player min-max game, in which a …

Precisely annotating objects with multiple labels is costly and has become a critical bottleneck in real-world multi-label classification tasks. Instead, deciding the relative order of label pairs is obviously less laborious than collecting exact labels. However, the supervised information of pairwise relevance ordering is less informative than exact labels. It is thus an important challenge to effectively learn with such weak supervision. In this paper, we formalize this problem as a novel learning framework, called multi-label learning with pairwise relevance ordering (PRO). We show that the unbiased estimator of classification risk can be derived with a cost-sensitive loss only from PRO examples. Theoretically, we provide the estimation error bound for the proposed estimator and further prove that it is consistent with respective to the commonly used ranking loss. Empirical studies on multiple datasets and metrics validate the effectiveness of the proposed method.


Causal structure learning is a key problem in many domains. Causal structures can be learnt by performing experiments on the system of interest. We address the largely unexplored problem of designing a batch of experiments that each simultaneously intervene on multiple variables. While potentially more informative than the commonly considered single-variable interventions, selecting such interventions is algorithmically much more challenging, due to the doubly-exponential combinatorial search space over sets of composite interventions. In this paper, we develop efficient algorithms for optimizing different objective functions quantifying the informativeness of a budget-constrained batch of experiments. By establishing novel submodularity properties of these objectives, we provide approximation guarantees for our algorithms. Our algorithms empirically perform superior to both random interventions and algorithms that only select single-variable interventions.

What makes a classifier have the ability to generalize? There have been a lot of important attempts to address this question, but a clear answer is still elusive. Proponents of complexity theory find that the complexity of the classifier's function space is key to deciding generalization, whereas other recent work reveals that classifiers which extract invariant feature representations are likely to generalize better. Recent theoretical and empirical studies, however, have shown that even within a classifier's function space, there can be significant differences in the ability to generalize. Specifically, empirical studies have shown that among functions which have a good training data fit, functions with lower Kolmogorov complexity (KC) are likely to generalize better, while the opposite is true for functions of higher KC. Motivated by these findings, we propose, in this work, a novel measure of complexity called Kolmogorov Growth (KG), which we use to derive new generalization error bounds that only depend on the final choice of the classification function. Guided by the bounds, we propose a novel way of regularizing neural networks by constraining the network trajectory to remain in the low KG zone during training. Minimizing KG while learning is akin to applying the Occam's razor …

Sequence-to-Sequence (Seq2Seq) neural text generation models, especially the pre-trained ones (e.g., BART and T5), have exhibited compelling performance on various natural language generation tasks. However, the black-box nature of these models limits their application in tasks where specific rules (e.g., controllable constraints, prior knowledge) need to be executed. Previous works either design specific model structures (e.g., Copy Mechanism corresponding to the rule "the generated output should include certain words in the source input'') or implement specialized inference algorithms (e.g., Constrained Beam Search) to execute particular rules through the text generation. These methods require the careful design case-by-case and are difficult to support multiple rules concurrently. In this paper, we propose a novel module named Neural Rule-Execution Tracking Machine (NRETM) that can be equipped into various transformer-based generators to leverage multiple rules simultaneously to guide the neural generation model for superior generation performance in an unified and scalable way. Extensive experiments on several benchmarks verify the effectiveness of our proposed model in both controllable and general text generation tasks.

A central challenge in training classification models in the real-world federated system is learning with non-IID data. To cope with this, most of the existing works involve enforcing regularization in local optimization or improving the model aggregation scheme at the server. Other works also share public datasets or synthesized samples to supplement the training of under-represented classes or introduce a certain level of personalization. Though effective, they lack a deep understanding of how the data heterogeneity affects each layer of a deep classification model. In this paper, we bridge this gap by performing an experimental analysis of the representations learned by different layers. Our observations are surprising: (1) there exists a greater bias in the classifier than other layers, and (2) the classification performance can be significantly improved by post-calibrating the classifier after federated training. Motivated by the above findings, we propose a novel and simple algorithm called Classifier Calibration with Virtual Representations (CCVR), which adjusts the classifier using virtual representations sampled from an approximated gaussian mixture model. Experimental results demonstrate that CCVR achieves state-of-the-art performance on popular federated learning benchmarks including CIFAR-10, CIFAR-100, and CINIC-10. We hope that our simple yet effective method can shed some light on the …


Graph Convolutional Networks (GCNs) are promising deep learning approaches in learning representations for graph-structured data. Despite the proliferation of such methods, it is well known that they are vulnerable to carefully crafted adversarial attacks on the graph structure. In this paper, we first conduct an adversarial vulnerability analysis based on matrix perturbation theory. We prove that the low- frequency components of the symmetric normalized Laplacian, which is usually used as the convolutional filter in GCNs, could be more robust against structural perturbations when their eigenvalues fall into a certain robust interval. Our results indicate that not all low-frequency components are robust to adversarial attacks and provide a deeper understanding of the relationship between graph spectrum and robustness of GCNs. Motivated by the theory, we present GCN-LFR, a general robust co-training paradigm for GCN-based models, that encourages transferring the robustness of low-frequency components with an auxiliary neural network. To this end, GCN-LFR could enhance the robustness of various kinds of GCN-based models against poisoning structural attacks in a plug-and-play manner. Extensive experiments across five benchmark datasets and five GCN-based models also confirm that GCN-LFR is resistant to the adversarial attacks without compromising on performance in the benign situation.

In constrained multi-objective RL, the goal is to learn a policy that achieves the best performance specified by a multi-objective preference function under a constraint. We focus on the offline setting where the RL agent aims to learn the optimal policy from a given dataset. This scenario is common in real-world applications where interactions with the environment are expensive and the constraint violation is dangerous. For such a setting, we transform the original constrained problem into a primal-dual formulation, which is solved via dual gradient ascent. Moreover, we propose to combine such an approach with pessimism to overcome the uncertainty in offline data, which leads to our Pessimistic Dual Iteration (PEDI). We establish upper bounds on both the suboptimality and constraint violation for the policy learned by PEDI based on an arbitrary dataset, which proves that PEDI is provably sample efficient. We also specialize PEDI to the setting with linear function approximation. To the best of our knowledge, we propose the first provably efficient constrained multi-objective RL algorithm with offline data without any assumption on the coverage of the dataset.


We demonstrate that efficient meta-learning can be achieved via end-to-end training of deep neural networks with memory distributed across layers. The persistent state of this memory assumes the entire burden of guiding task adaptation. Moreover, its distributed nature is instrumental in orchestrating adaptation. Ablation experiments demonstrate that providing relevant feedback to memory units distributed across the depth of the network enables them to guide adaptation throughout the entire network. Our results show that this is a successful strategy for simplifying meta-learning -- often cast as a bi-level optimization problem -- to standard end-to-end training, while outperforming gradient-based, prototype-based, and other memory-based meta-learning strategies. Additionally, our adaptation strategy naturally handles online learning scenarios with a significant delay between observing a sample and its corresponding label -- a setting in which other approaches struggle. Adaptation via distributed memory is effective across a wide range of learning tasks, ranging from classification to online few-shot semantic segmentation.

Zeroth-order (ZO) optimization is widely used to handle challenging tasks, such as query-based black-box adversarial attacks and reinforcement learning. Various attempts have been made to integrate prior information into the gradient estimation procedure based on finite differences, with promising empirical results. However, their convergence properties are not well understood. This paper makes an attempt to fill up this gap by analyzing the convergence of prior-guided ZO algorithms under a greedy descent framework with various gradient estimators. We provide a convergence guarantee for the prior-guided random gradient-free (PRGF) algorithms. Moreover, to further accelerate over greedy descent methods, we present a new accelerated random search (ARS) algorithm that incorporates prior information, together with a convergence analysis. Finally, our theoretical results are confirmed by experiments on several numerical benchmarks as well as adversarial attacks.

Double Q-learning is a classical method for reducing overestimation bias, which is caused by taking maximum estimated values in the Bellman operation. Its variants in the deep Q-learning paradigm have shown great promise in producing reliable value prediction and improving learning performance. However, as shown by prior work, double Q-learning is not fully unbiased and suffers from underestimation bias. In this paper, we show that such underestimation bias may lead to multiple non-optimal fixed points under an approximate Bellman operator. To address the concerns of converging to non-optimal stationary solutions, we propose a simple but effective approach as a partial fix for the underestimation bias in double Q-learning. This approach leverages an approximate dynamic programming to bound the target value. We extensively evaluate our proposed method in the Atari benchmark tasks and demonstrate its significant improvement over baseline algorithms.


Recently, the information-theoretical framework has been proven to be able to obtain non-vacuous generalization bounds for large models trained by Stochastic Gradient Langevin Dynamics (SGLD) with isotropic noise. In this paper, we optimize the information-theoretical generalization bound by manipulating the noise structure in SGLD. We prove that with constraint to guarantee low empirical risk, the optimal noise covariance is the square root of the expected gradient covariance if both the prior and the posterior are jointly optimized. This validates that the optimal noise is quite close to the empirical gradient covariance. Technically, we develop a new information-theoretical bound that enables such an optimization analysis. We then apply matrix analysis to derive the form of optimal noise covariance. Presented constraint and results are validated by the empirical observations.

This paper considers incremental few-shot learning, which requires a model to continually recognize new categories with only a few examples provided. Our study shows that existing methods severely suffer from catastrophic forgetting, a well-known problem in incremental learning, which is aggravated due to data scarcity and imbalance in the few-shot setting. Our analysis further suggests that to prevent catastrophic forgetting, actions need to be taken in the primitive stage -- the training of base classes instead of later few-shot learning sessions. Therefore, we propose to search for flat local minima of the base training objective function and then fine-tune the model parameters within the flat region on new tasks. In this way, the model can efficiently learn new classes while preserving the old ones. Comprehensive experimental results demonstrate that our approach outperforms all prior state-of-the-art methods and is very close to the approximate upper bound. The source code is available at https://github.com/moukamisama/F2M.


The burst of applications empowered by massive data have aroused unprecedented privacy concerns in AI society. Currently, data confidentiality protection has been one core issue during deep model training. Federated Learning (FL), which enables privacy-preserving training across multiple silos, gained rising popularity for its parameter-only communication. However, previous works have shown that FL revealed a significant performance drop if the data distributions are heterogeneous among different clients, especially when the clients have cross-domain characteristic, such as traffic, aerial and in-door. To address this challenging problem, we propose a novel idea, PartialFed, which loads a subset of the global model’s parameters rather than loading the entire model used in most previous works. We first validate our algorithm with manually decided loading strategies inspired by various expert priors, named PartialFed-Fix. Then we develop PartialFed-Adaptive, which automatically selects personalized loading strategy for each client. The superiority of our algorithm is proved by demonstrating the new state-of-the-art results on cross-domain federated classification and detection. In particular, solely by initializing a small fraction of layers locally, we improve the performance of FedAvg on Office-Home and UODB by 4.88% and 2.65%, respectively. Further studies show that the adaptive strategy performs significantly better on domains with large …

This paper introduces a class of mixed-integer formulations for trained ReLU neural networks. The approach balances model size and tightness by partitioning node inputs into a number of groups and forming the convex hull over the partitions via disjunctive programming. At one extreme, one partition per input recovers the convex hull of a node, i.e., the tightest possible formulation for each node. For fewer partitions, we develop smaller relaxations that approximate the convex hull, and show that they outperform existing formulations. Specifically, we propose strategies for partitioning variables based on theoretical motivations and validate these strategies using extensive computational experiments. Furthermore, the proposed scheme complements known algorithmic approaches, e.g., optimization-based bound tightening captures dependencies within a partition.

Federated learning aims to learn a global model that performs well on client devices with limited cross-client communication. Personalized federated learning (PFL) further extends this setup to handle data heterogeneity between clients by learning personalized models. A key challenge in this setting is to learn effectively across clients even though each client has unique data that is often limited in size. Here we present pFedGP, a solution to PFL that is based on Gaussian processes (GPs) with deep kernel learning. GPs are highly expressive models that work well in the low data regime due to their Bayesian nature.However, applying GPs to PFL raises multiple challenges. Mainly, GPs performance depends heavily on access to a good kernel function, and learning a kernel requires a large training set. Therefore, we propose learning a shared kernel function across all clients, parameterized by a neural network, with a personal GP classifier for each client. We further extend pFedGP to include inducing points using two novel methods, the first helps to improve generalization in the low data regime and the second reduces the computational cost. We derive a PAC-Bayes generalization bound on novel clients and empirically show that it gives non-vacuous guarantees. Extensive experiments on …

In this work, we propose to use out-of-distribution samples, i.e., unlabeled samples coming from outside the target classes, to improve few-shot learning. Specifically, we exploit the easily available out-of-distribution samples to drive the classifier to avoid irrelevant features by maximizing the distance from prototypes to out-of-distribution samples while minimizing that of in-distribution samples (i.e., support, query data). Our approach is simple to implement, agnostic to feature extractors, lightweight without any additional cost for pre-training, and applicable to both inductive and transductive settings. Extensive experiments on various standard benchmarks demonstrate that the proposed method consistently improves the performance of pretrained networks with different architectures.

Non-autoregressive text-to-speech (NAR-TTS) models such as FastSpeech 2 and Glow-TTS can synthesize high-quality speech from the given text in parallel. After analyzing two kinds of generative NAR-TTS models (VAE and normalizing flow), we find that: VAE is good at capturing the long-range semantics features (e.g., prosody) even with small model size but suffers from blurry and unnatural results; and normalizing flow is good at reconstructing the frequency bin-wise details but performs poorly when the number of model parameters is limited. Inspired by these observations, to generate diverse speech with natural details and rich prosody using a lightweight architecture, we propose PortaSpeech, a portable and high-quality generative text-to-speech model. Specifically, 1) to model both the prosody and mel-spectrogram details accurately, we adopt a lightweight VAE with an enhanced prior followed by a flow-based post-net with strong conditional inputs as the main architecture. 2) To further compress the model size and memory footprint, we introduce the grouped parameter sharing mechanism to the affine coupling layers in the post-net. 3) To improve the expressiveness of synthesized speech and reduce the dependency on accurate fine-grained alignment between text and speech, we propose a linguistic encoder with mixture alignment combining hard word-level alignment and soft …

Quantization is a technique used in deep neural networks (DNNs) to increase execution performance and hardware efficiency. Uniform post-training quantization (PTQ) methods are common, since they can be implemented efficiently in hardware and do not require extensive hardware resources or a training set. Mapping FP32 models to INT8 using uniform PTQ yields models with negligible accuracy degradation; however, reducing precision below 8 bits with PTQ is challenging, as accuracy degradation becomes noticeable, due to the increase in quantization noise. In this paper, we propose a sparsity-aware quantization (SPARQ) method, in which the unstructured and dynamic activation sparsity is leveraged in different representation granularities. 4-bit quantization, for example, is employed by dynamically examining the bits of 8-bit values and choosing a window of 4 bits, while first skipping zero-value bits. Moreover, instead of quantizing activation-by-activation to 4 bits, we focus on pairs of 8-bit activations and examine whether one of the two is equal to zero. If one is equal to zero, the second can opportunistically use the other's 4-bit budget; if both do not equal zero, then each is dynamically quantized to 4 bits, as described. SPARQ achieves minor accuracy degradation and a practical hardware implementation.
The training of sparse neural networks is becoming an increasingly important tool for reducing the computational footprint of models at training and evaluation, as well enabling the effective scaling up of models. Whereas much work over the years has been dedicated to specialised pruning techniques, little attention has been paid to the inherent effect of gradient based training on model sparsity. Inthis work, we introduce Powerpropagation, a new weight-parameterisation for neural networks that leads to inherently sparse models. Exploiting the behaviour of gradient descent, our method gives rise to weight updates exhibiting a “rich get richer” dynamic, leaving low-magnitude parameters largely unaffected by learning. Models trained in this manner exhibit similar performance, but have a distributionwith markedly higher density at zero, allowing more parameters to be pruned safely. Powerpropagation is general, intuitive, cheap and straight-forward to implement and can readily be combined with various other techniques. To highlight its versatility, we explore it in two very different settings: Firstly, following a recent line of work, we investigate its effect on sparse training for resource-constrained settings. Here, we combine Powerpropagation with a traditional weight-pruning technique as well as recent state-of-the-art sparse-to-sparse algorithms, showing superior performance on the ImageNet benchmark. Secondly, we …

Recent works on Bayesian neural networks (BNNs) have highlighted the need to better understand the implications of using Gaussian priors in combination with the compositional structure of the network architecture. Similar in spirit to the kind of analysis that has been developed to devise better initialization schemes for neural networks (cf. He- or Xavier initialization), we derive a precise characterization of the prior predictive distribution of finite-width ReLU networks with Gaussian weights.While theoretical results have been obtained for their heavy-tailedness,the full characterization of the prior predictive distribution (i.e. its density, CDF and moments), remained unknown prior to this work. Our analysis, based on the Meijer-G function, allows us to quantify the influence of architectural choices such as the width or depth of the network on the resulting shape of the prior predictive distribution. We also formally connect our results to previous work in the infinite width setting, demonstrating that the moments of the distribution converge to those of a normal log-normal mixture in the infinite depth limit. Finally, our results provide valuable guidance on prior design: for instance, controlling the predictive variance with depth- and width-informed priors on the weights of the network.

We develop a new approach to tackle communication constraints in a distributed learning problem with a central server. We propose and analyze a new algorithm that performs bidirectional compression and achieves the same convergence rate as algorithms using only uplink (from the local workers to the central server) compression. To obtain this improvement, we design MCM, an algorithm such that the downlink compression only impacts local models, while the global model is preserved. As a result, and contrary to previous works, the gradients on local servers are computed on perturbed models. Consequently, convergence proofs are more challenging and require a precise control of this perturbation. To ensure it, MCM additionally combines model compression with a memory mechanism. This analysis opens new doors, e.g. incorporating worker dependent randomized-models and partial participation.
We study voting rules for participatory budgeting, where a group of voters collectively decides which projects should be funded using a common budget. We allow the projects to have arbitrary costs, and the voters to have arbitrary additive valuations over the projects. We formulate two axioms that guarantee proportional representation to groups of voters with common interests. To the best of our knowledge, all known rules for participatory budgeting do not satisfy either of the two axioms; in addition we show that the most prominent proportional rule for committee elections, Proportional Approval Voting, cannot be adapted to arbitrary costs nor to additive valuations so that it would satisfy our axioms of proportionality. We construct a simple and attractive voting rule that satisfies one of our axioms (for arbitrary costs and arbitrary additive valuations), and that can be evaluated in polynomial time. We prove that our other stronger axiom is also satisfiable, though by a computationally more expensive and less natural voting rule.
Finding a good way to model probability densities is key to probabilistic inference. An ideal model should be able to concisely approximate any probability while being also compatible with two main operations: multiplications of two models (product rule) and marginalization with respect to a subset of the random variables (sum rule). In this work, we show that a recently proposed class of positive semi-definite (PSD) models for non-negative functions is particularly suited to this end. In particular, we characterize both approximation and generalization capabilities of PSD models, showing that they enjoy strong theoretical guarantees. Moreover, we show that we can perform efficiently both sum and product rule in closed form via matrix operations, enjoying the same versatility of mixture models. Our results open the way to applications of PSD models to density estimation, decision theory, and inference.

The category gap between training and evaluation has been characterised as one of the main obstacles to the success of Few-Shot Learning (FSL). In this paper, we for the first time empirically identify image background, common in realistic images, as a shortcut knowledge helpful for in-class classification but ungeneralizable beyond training categories in FSL. A novel framework, COSOC, is designed to tackle this problem by extracting foreground objects in images at both training and evaluation without any extra supervision. Extensive experiments carried on inductive FSL tasks demonstrate the effectiveness of our approaches.

This paper introduces a concept of layer aggregation to describe how information from previous layers can be reused to better extract features at the current layer. While DenseNet is a typical example of the layer aggregation mechanism, its redundancy has been commonly criticized in the literature. This motivates us to propose a very light-weighted module, called recurrent layer aggregation (RLA), by making use of the sequential structure of layers in a deep CNN. Our RLA module is compatible with many mainstream deep CNNs, including ResNets, Xception and MobileNetV2, and its effectiveness is verified by our extensive experiments on image classification, object detection and instance segmentation tasks. Specifically, improvements can be uniformly observed on CIFAR, ImageNet and MS COCO datasets, and the corresponding RLA-Nets can surprisingly boost the performances by 2-3% on the object detection task. This evidences the power of our RLA module in helping main CNNs better learn structural information in images.

Eliminating the covariate shift cross domains is one of the common methods to deal with the issue of domain shift in visual unsupervised domain adaptation. However, current alignment methods, especially the prototype based or sample-level based methods neglect the structural properties of the underlying distribution and even break the condition of covariate shift. To relieve the limitations and conflicts, we introduce a novel concept named (virtual) mirror, which represents the equivalent sample in another domain. The equivalent sample pairs, named mirror pairs reflect the natural correspondence of the empirical distributions. Then a mirror loss, which aligns the mirror pairs cross domains, is constructed to enhance the alignment of the domains. The proposed method does not distort the internal structure of the underlying distribution. We also provide theoretical proof that the mirror samples and mirror loss have better asymptotic properties in reducing the domain shift. By applying the virtual mirror and mirror loss to the generic unsupervised domain adaptation model, we achieved consistently superior performance on several mainstream benchmarks.


Bayesian optimization (BO) conventionally relies on handcrafted acquisition functions (AFs) to sequentially determine the sample points. However, it has been widely observed in practice that the best-performing AF in terms of regret can vary significantly under different types of black-box functions. It has remained a challenge to design one AF that can attain the best performance over a wide variety of black-box functions. This paper aims to attack this challenge through the perspective of reinforced few-shot AF learning (FSAF). Specifically, we first connect the notion of AFs with Q-functions and view a deep Q-network (DQN) as a surrogate differentiable AF. While it serves as a natural idea to combine DQN and an existing few-shot learning method, we identify that such a direct combination does not perform well due to severe overfitting, which is particularly critical in BO due to the need of a versatile sampling policy. To address this, we present a Bayesian variant of DQN with the following three features: (i) It learns a distribution of Q-networks as AFs based on the Kullback-Leibler regularization framework. This inherently provides the uncertainty required in sampling for BO and mitigates overfitting. (ii) For the prior of the Bayesian DQN, we propose to …

Deep ensembles have recently gained popularity in the deep learning community for their conceptual simplicity and efficiency. However, maintaining functional diversity between ensemble members that are independently trained with gradient descent is challenging. This can lead to pathologies when adding more ensemble members, such as a saturation of the ensemble performance, which converges to the performance of a single model. Moreover, this does not only affect the quality of its predictions, but even more so the uncertainty estimates of the ensemble, and thus its performance on out-of-distribution data. We hypothesize that this limitation can be overcome by discouraging different ensemble members from collapsing to the same function. To this end, we introduce a kernelized repulsive term in the update rule of the deep ensembles. We show that this simple modification not only enforces and maintains diversity among the members but, even more importantly, transforms the maximum a posteriori inference into proper Bayesian inference. Namely, we show that the training dynamics of our proposed repulsive ensembles follow a Wasserstein gradient flow of the KL divergence with the true posterior. We study repulsive terms in weight and function space and empirically compare their performance to standard ensembles and Bayesian baselines on synthetic …

In the problems of image retrieval and few-shot classification, the mainstream approaches focus on learning a better feature representation. However, directly tackling the distance or similarity measure between images could also be efficient. To this end, we revisit the idea of re-ranking the top-k retrieved images in the context of image retrieval (e.g., the k-reciprocal nearest neighbors) and generalize this idea to transductive few-shot learning. We propose to meta-learn the re-ranking updates such that the similarity graph converges towards the target similarity graph induced by the image labels. Specifically, the re-ranking module takes as input an initial similarity graph between the query image and the contextual images using a pre-trained feature extractor, and predicts an improved similarity graph by leveraging the structure among the involved images. We show that our re-ranking approach can be applied to unseen images and can further boost existing approaches for both image retrieval and few-shot learning problems. Our approach operates either independently or in conjunction with classical re-ranking approaches, yielding clear and consistent improvements on image retrieval (CUB, Cars, SOP, rOxford5K and rParis6K) and transductive few-shot classification (Mini-ImageNet, tiered-ImageNet and CIFAR-FS) benchmarks. Our code is available at https://imagine.enpc.fr/~shenx/SSR/.

Capturing accurate uncertainty quantification of the prediction from deep neural networks is important in many real-world decision-making applications. A reliable predictor is expected to be accurate when it is confident about its predictions and indicate high uncertainty when it is likely to be inaccurate. However, modern neural networks have been found to be poorly calibrated, primarily in the direction of overconfidence. In recent years, there is a surge of research on model calibration by leveraging implicit or explicit regularization techniques during training, which obtain well calibration by avoiding overconfident outputs. In our study, we empirically found that despite the predictions obtained from these regularized models are better calibrated, they suffer from not being as calibratable, namely, it is harder to further calibrate their predictions with post-hoc calibration methods like temperature scaling and histogram binning. We conduct a series of empirical studies showing that overconfidence may not hurt final calibration performance if post-hoc calibration is allowed, rather, the penalty of confident outputs will compress the room of potential improvements in post-hoc calibration phase. Our experimental findings point out a new direction to improve calibration of DNNs by considering main training and post-hoc calibration as a unified framework.


The continuous-time model of Nesterov's momentum provides a thought-provoking perspective for understanding the nature of the acceleration phenomenon in convex optimization. One of the main ideas in this line of research comes from the field of classical mechanics and proposes to link Nesterov's trajectory to the solution of a set of Euler-Lagrange equations relative to the so-called Bregman Lagrangian. In the last years, this approach led to the discovery of many new (stochastic) accelerated algorithms and provided a solid theoretical foundation for the design of structure-preserving accelerated methods. In this work, we revisit this idea and provide an in-depth analysis of the action relative to the Bregman Lagrangian from the point of view of calculus of variations. Our main finding is that, while Nesterov's method is a stationary point for the action, it is often not a minimizer but instead a saddle point for this functional in the space of differentiable curves. This finding challenges the main intuition behind the variational interpretation of Nesterov's method and provides additional insights into the intriguing geometry of accelerated paths.

Current value-based multi-agent reinforcement learning methods optimize individual Q values to guide individuals' behaviours via centralized training with decentralized execution (CTDE). However, such expected, i.e., risk-neutral, Q value is not sufficient even with CTDE due to the randomness of rewards and the uncertainty in environments, which causes the failure of these methods to train coordinating agents in complex environments. To address these issues, we propose RMIX, a novel cooperative MARL method with the Conditional Value at Risk (CVaR) measure over the learned distributions of individuals' Q values. Specifically, we first learn the return distributions of individuals to analytically calculate CVaR for decentralized execution. Then, to handle the temporal nature of the stochastic outcomes during executions, we propose a dynamic risk level predictor for risk level tuning. Finally, we optimize the CVaR policies with CVaR values used to estimate the target in TD error during centralized training and the CVaR values are used as auxiliary local rewards to update the local distribution via Quantile Regression loss. Empirically, we show that our method outperforms many state-of-the-art methods on various multi-agent risk-sensitive navigation scenarios and challenging StarCraft II cooperative tasks, demonstrating enhanced coordination and revealing improved sample efficiency.

Training models that perform well under distribution shifts is a central challenge in machine learning. In this paper, we introduce a modeling framework where, in addition to training data, we have partial structural knowledge of the shifted test distribution. We employ the principle of minimum discriminating information to embed the available prior knowledge, and use distributionally robust optimization to account for uncertainty due to the limited samples. By leveraging large deviation results, we obtain explicit generalization bounds with respect to the unknown shifted distribution. Lastly, we demonstrate the versatility of our framework by demonstrating it on two rather distinct applications: (1) training classifiers on systematically biased data and (2) off-policy evaluation in Markov Decision Processes.

We consider learning the structures of Gaussian latent tree models with vector observations when a subset of them are arbitrarily corrupted. First, we present the sample complexities of Recursive Grouping (RG) and Chow-Liu Recursive Grouping (CLRG) without the assumption that the effective depth is bounded in the number of observed nodes, significantly generalizing the results in Choi et al. (2011). We show that Chow-Liu initialization in CLRG greatly reduces the sample complexity of RG from being exponential in the diameter of the tree to only logarithmic in the diameter for the hidden Markov model (HMM). Second, we robustify RG, CLRG, Neighbor Joining (NJ) and Spectral NJ (SNJ) by using the truncated inner product. These robustified algorithms can tolerate a number of corruptions up to the square root of the number of clean samples. Finally, we derive the first known instance-dependent impossibility result for structure learning of latent trees. The optimalities of the robust version of CLRG and NJ are verified by comparing their sample complexities and the impossibility result.


Latent variable models are ubiquitous in the exploratory analysis of neural population recordings, where they allow researchers to summarize the activity of large populations of neurons in lower dimensional ‘latent’ spaces. Existing methods can generally be categorized into (i) Bayesian methods that facilitate flexible incorporation of prior knowledge and uncertainty estimation, but which typically do not scale to large datasets; and (ii) highly parameterized methods without explicit priors that scale better but often struggle in the low-data regime. Here, we bridge this gap by developing a fully Bayesian yet scalable version of Gaussian process factor analysis (bGPFA), which models neural data as arising from a set of inferred latent processes with a prior that encourages smoothness over time. Additionally, bGPFA uses automatic relevance determination to infer the dimensionality of neural activity directly from the training data during optimization. To enable the analysis of continuous recordings without trial structure, we introduce a novel variational inference strategy that scales near-linearly in time and also allows for non-Gaussian noise models appropriate for electrophysiological recordings. We apply bGPFA to continuous recordings spanning 30 minutes with over 14 million data points from primate motor and somatosensory cortices during a self-paced reaching task. We show that …

Adversarial patch attacks that craft the pixels in a confined region of the input images show their powerful attack effectiveness in physical environments even with noises or deformations. Existing certified defenses towards adversarial patch attacks work well on small images like MNIST and CIFAR-10 datasets, but achieve very poor certified accuracy on higher-resolution images like ImageNet. It is urgent to design both robust and effective defenses against such a practical and harmful attack in industry-level larger images. In this work, we propose the certified defense methodology that achieves high provable robustness for high-resolution images and largely improves the practicality for real adoption of the certified defense. The basic insight of our work is that the adversarial patch intends to leverage localized superficial important neurons (SIN) to manipulate the prediction results. Hence, we leverage the SIN-based DNN compression techniques to significantly improve the certified accuracy, by reducing the adversarial region searching overhead and filtering the prediction noises. Our experimental results show that the certified accuracy is increased from 36.3% (the state-of-the-art certified detection) to 60.4%on the ImageNet dataset, largely pushing the certified defenses for practical use.

The contrastive pre-training of a recognition model on a large dataset of unlabeled data often boosts the model’s performance on downstream tasks like image classification. However, in domains such as medical imaging, collecting unlabeled data can be challenging and expensive. In this work, we consider the task of medical image segmentation and adapt contrastive learning with meta-label annotations to scenarios where no additional unlabeled data is available. Meta-labels, such as the location of a 2D slice in a 3D MRI scan, often come for free during the acquisition process. We use these meta-labels to pre-train the image encoder, as well as in a semi-supervised learning step that leverages a reduced set of annotated data. A self-paced learning strategy exploiting the weak annotations is proposed to furtherhelp the learning process and discriminate useful labels from noise. Results on five medical image segmentation datasets show that our approach: i) highly boosts the performance of a model trained on a few scans, ii) outperforms previous contrastive and semi-supervised approaches, and iii) reaches close to the performance of a model trained on the full data.

A good visual representation is an inference map from observations (images) to features (vectors) that faithfully reflects the hidden modularized generative factors (semantics). In this paper, we formulate the notion of "good" representation from a group-theoretic view using Higgins' definition of disentangled representation, and show that existing Self-Supervised Learning (SSL) only disentangles simple augmentation features such as rotation and colorization, thus unable to modularize the remaining semantics. To break the limitation, we propose an iterative SSL algorithm: Iterative Partition-based Invariant Risk Minimization (IP-IRM), which successfully grounds the abstract semantics and the group acting on them into concrete contrastive learning. At each iteration, IP-IRM first partitions the training samples into two subsets that correspond to an entangled group element. Then, it minimizes a subset-invariant contrastive loss, where the invariance guarantees to disentangle the group element. We prove that IP-IRM converges to a fully disentangled representation and show its effectiveness on various benchmarks. Codes are available at https://github.com/Wangt-CN/IP-IRM.

The field of neuromorphic computing promises extremely low-power and low-latency sensing and processing. Challenges in transferring learning algorithms from traditional artificial neural networks (ANNs) to spiking neural networks (SNNs) have so far prevented their application to large-scale, complex regression tasks. Furthermore, realizing a truly asynchronous and fully neuromorphic pipeline that maximally attains the abovementioned benefits involves rethinking the way in which this pipeline takes in and accumulates information. In the case of perception, spikes would be passed as-is and one-by-one between an event camera and an SNN, meaning all temporal integration of information must happen inside the network. In this article, we tackle these two problems. We focus on the complex task of learning to estimate optical flow from event-based camera inputs in a self-supervised manner, and modify the state-of-the-art ANN training pipeline to encode minimal temporal information in its inputs. Moreover, we reformulate the self-supervised loss function for event-based optical flow to improve its convexity. We perform experiments with various types of recurrent ANNs and SNNs using the proposed pipeline. Concerning SNNs, we investigate the effects of elements such as parameter initialization and optimization, surrogate gradient shape, and adaptive neuronal mechanisms. We find that initialization and surrogate gradient width …


Simulation is used extensively in autonomous systems, particularly in robotic manipulation. By far, the most common approach is to train a controller in simulation, and then use it as an initial starting point for the real system. We demonstrate how to learn simultaneously from both simulation and interaction with the real environment. We propose an algorithm for balancing the large number of samples from the high throughput but less accurate simulation and the low-throughput, high-fidelity and costly samples from the real environment. We achieve that by maintaining a replay buffer for each environment the agent interacts with. We analyze such multi-environment interaction theoretically, and provide convergence properties, through a novel theoretical replay buffer analysis. We demonstrate the efficacy of our method on a sim-to-real environment.

Clustering ensemble is one of the most important problems in ensemble learning. Though it has been extensively studied in the past decades, the existing methods often suffer from the issues like high computational complexity and the difficulty on understanding the consensus. In this paper, we study the more general soft clustering ensemble problem where each individual solution is a soft clustering. We connect it to the well-known discrete Wasserstein barycenter problem in geometry. Based on some novel geometric insights in high dimensions, we propose the sampling-based algorithms with provable quality guarantees. We also provide the systematical analysis on the consensus of our model. Finally, we conduct the experiments to evaluate our proposed algorithms.


Model smoothing is of central importance for obtaining a reliable teacher model in the student-teacher framework, where the teacher generates surrogate supervision signals to train the student. A popular model smoothing method is the Temporal Moving Average (TMA), which continuously averages the teacher parameters with the up-to-date student parameters. In this paper, we propose ''Spatial Ensemble'', a novel model smoothing mechanism in parallel with TMA. Spatial Ensemble randomly picks up a small fragment of the student model to directly replace the corresponding fragment of the teacher model. Consequentially, it stitches different fragments of historical student models into a unity, yielding the ''Spatial Ensemble'' effect. Spatial Ensemble obtains comparable student-teacher learning performance by itself and demonstrates valuable complementarity with temporal moving average. Their integration, named Spatial-Temporal Smoothing, brings general (sometimes significant) improvement to the student-teacher learning framework on a variety of state-of-the-art methods. For example, based on the self-supervised method BYOL, it yields +0.9% top-1 accuracy improvement on ImageNet, while based on the semi-supervised approach FixMatch, it increases the top-1 accuracy by around +6% on CIFAR-10 when only few training labels are available. Codes and models are available at: https://github.com/tengteng95/Spatial_Ensemble.


In this paper, we comprehensively reveal the learning dynamics of normalized neural network using Stochastic Gradient Descent (with momentum) and Weight Decay (WD), named as Spherical Motion Dynamics (SMD). Most related works focus on studying behavior of effective learning rate" in
equilibrium" state, i.e. assuming weight norm remains unchanged. However, their discussion on why this equilibrium can be reached is either absent or less convincing. Our work directly explores the cause of equilibrium, as a special state of SMD. Specifically, 1) we introduce the assumptions that can lead to equilibrium state in SMD, and prove equilibrium can be reached in a linear rate regime under given assumptions; 2) we propose ``angular update" as a substitute for effective learning rate to depict the state of SMD, and derive the theoretical value of angular update in equilibrium state; 3) we verify our assumptions and theoretical results on various large-scale computer vision tasks including ImageNet and MSCOCO with standard settings. Experiment results show our theoretical findings agree well with empirical observations. We also show that the behavior of angular update in SMD can produce interesting effect to the optimization of neural network in practice.

We study adapting trained object detectors to unseen domains manifesting significant variations of object appearance, viewpoints and backgrounds. Most current methods align domains by either using image or instance-level feature alignment in an adversarial fashion. This often suffers due to the presence of unwanted background and as such lacks class-specific alignment. A common remedy to promote class-level alignment is to use high confidence predictions on the unlabelled domain as pseudo labels. These high confidence predictions are often fallacious since the model is poorly calibrated under domain shift. In this paper, we propose to leverage model’s predictive uncertainty to strike the right balance between adversarial feature alignment and class-level alignment. Specifically, we measure predictive uncertainty on class assignments and the bounding box predictions. Model predictions with low uncertainty are used to generate pseudo-labels for self-supervision, whereas the ones with higher uncertainty are used to generate tiles for an adversarial feature alignment stage. This synergy between tiling around the uncertain object regions and generating pseudo-labels from highly certain object regions allows us to capture both the image and instance level context during the model adaptation stage. We perform extensive experiments covering various domain shift scenarios. Our approach improves upon existing state-of-the-art methods …

Anderson mixing (AM) is an acceleration method for fixed-point iterations. Despite its success and wide usage in scientific computing, the convergence theory of AM remains unclear, and its applications to machine learning problems are not well explored. In this paper, by introducing damped projection and adaptive regularization to the classical AM, we propose a Stochastic Anderson Mixing (SAM) scheme to solve nonconvex stochastic optimization problems. Under mild assumptions, we establish the convergence theory of SAM, including the almost sure convergence to stationary points and the worst-case iteration complexity. Moreover, the complexity bound can be improved when randomly choosing an iterate as the output. To further accelerate the convergence, we incorporate a variance reduction technique into the proposed SAM. We also propose a preconditioned mixing strategy for SAM which can empirically achieve faster convergence or better generalization ability. Finally, we apply the SAM method to train various neural networks including the vanilla CNN, ResNets, WideResNet, ResNeXt, DenseNet and LSTM. Experimental results on image classification and language model demonstrate the advantages of our method.


This paper studies a new variant of the stochastic multi-armed bandits problem where auxiliary information about the arm rewards is available in the form of control variates. In many applications like queuing and wireless networks, the arm rewards are functions of some exogenous variables. The mean values of these variables are known a priori from historical data and can be used as control variates. Leveraging the theory of control variates, we obtain mean estimates with smaller variance and tighter confidence bounds. We develop an upper confidence bound based algorithm named UCB-CV and characterize the regret bounds in terms of the correlation between rewards and control variates when they follow a multivariate normal distribution. We also extend UCB-CV to other distributions using resampling methods like Jackknifing and Splitting. Experiments on synthetic problem instances validate performance guarantees of the proposed algorithms.


Gaussian Processes (GPs) define distributions over functions and their generalization capabilities depend heavily on the choice of kernels. In this paper, we propose a novel structure-aware random Fourier (SRF) kernel for GPs that brings several benefits when modeling graph-structured data. First, SRF kernel is defined with a spectral distribution based on the Fourier duality given by the Bochner's theorem, transforming the kernel learning problem to a distribution inference problem. Second, SRF kernel admits a random Fourier feature formulation that makes the kernel scalable for optimization. Third, SRF kernel enables to leverage geometric structures by taking subgraphs as inputs. To effectively optimize GPs with SRF kernel, we develop a variational EM algorithm, which alternates between an inference procedure (E-step) and a learning procedure (M-step). Experimental results on five real-world datasets show that our model can achieve state-of-the-art performance in two typical graph learning tasks, i.e., object classification and link prediction.

Stylized dialogue generation, which aims to generate a given-style response for an input context, plays a vital role in intelligent dialogue systems. Considering there is no parallel data between the contexts and the responses of target style S1, existing works mainly use back translation to generate stylized synthetic data for training, where the data about context, target style S1 and an intermediate style S0 is used. However, the interaction among these texts is not fully exploited, and the pseudo contexts are not adequately modeled. To overcome the above difficulties, we propose multi-pass dual learning (MPDL), which leverages the duality among the context, response of style S1 and response of style S_0. MPDL builds mappings among the above three domains, where the context should be reconstructed by the MPDL framework, and the reconstruction error is used as the training signal. To evaluate the quality of synthetic data, we also introduce discriminators that effectively measure how a pseudo sequence matches the specific domain, and the evaluation result is used as the weight for that data. Evaluation results indicate that our method obtains significant improvement over previous baselines.


Overparameterization refers to the important phenomenon where the width of a neural network is chosen such that learning algorithms can provably attain zero loss in nonconvex training. The existing theory establishes such global convergence using various initialization strategies, training modifications, and width scalings. In particular, the state-of-the-art results require the width to scale quadratically with the number of training data under standard initialization strategies used in practice for best generalization performance. In contrast, the most recent results obtain linear scaling either with requiring initializations that lead to the "lazy-training", or training only a single layer. In this work, we provide an analytical framework that allows us to adopt standard initialization strategies, possibly avoid lazy training, and train all layers simultaneously in basic shallow neural networks while attaining a desirable subquadratic scaling on the network width. We achieve the desiderata via Polyak-Lojasiewicz condition, smoothness, and standard assumptions on data, and use tools from random matrix theory.

Domain generalization (DG) methods aim to achieve generalizability to an unseen target domain by using only training data from the source domains. Although a variety of DG methods have been proposed, a recent study shows that under a fair evaluation protocol, called DomainBed, the simple empirical risk minimization (ERM) approach works comparable to or even outperforms previous methods. Unfortunately, simply solving ERM on a complex, non-convex loss function can easily lead to sub-optimal generalizability by seeking sharp minima. In this paper, we theoretically show that finding flat minima results in a smaller domain generalization gap. We also propose a simple yet effective method, named Stochastic Weight Averaging Densely (SWAD), to find flat minima. SWAD finds flatter minima and suffers less from overfitting than does the vanilla SWA by a dense and overfit-aware stochastic weight sampling strategy. SWAD shows state-of-the-art performances on five DG benchmarks, namely PACS, VLCS, OfficeHome, TerraIncognita, and DomainNet, with consistent and large margins of +1.6% averagely on out-of-domain accuracy. We also compare SWAD with conventional generalization methods, such as data augmentation and consistency regularization methods, to verify that the remarkable performance improvements are originated from by seeking flat minima, not from better in-domain generalizability. Last but not …

Most conventional Neural Architecture Search (NAS) approaches are limited in that they only generate architectures without searching for the optimal parameters. While some NAS methods handle this issue by utilizing a supernet trained on a large-scale dataset such as ImageNet, they may be suboptimal if the target tasks are highly dissimilar from the dataset the supernet is trained on. To address such limitations, we introduce a novel problem of Neural Network Search (NNS), whose goal is to search for the optimal pretrained network for a novel dataset and constraints (e.g. number of parameters), from a model zoo. Then, we propose a novel framework to tackle the problem, namely Task-Adaptive Neural Network Search (TANS). Given a model-zoo that consists of network pretrained on diverse datasets, we use a novel amortized meta-learning framework to learn a cross-modal latent space with contrastive loss, to maximize the similarity between a dataset and a high-performing network on it, and minimize the similarity between irrelevant dataset-network pairs. We validate the effectiveness and efficiency of our method on ten real-world datasets, against existing NAS/AutoML baselines. The results show that our method instantly retrieves networks that outperform models obtained with the baselines with significantly fewer training steps to …

The doubly robust (DR) estimator, which consists of two nuisance parameters, the conditional mean outcome and the logging policy (the probability of choosing an action), is crucial in causal inference. This paper proposes a DR estimator for dependent samples obtained from adaptive experiments. To obtain an asymptotically normal semiparametric estimator from dependent samples without non-Donsker nuisance estimators, we propose adaptive-fitting as a variant of sample-splitting. We also report an empirical paradox that our proposed DR estimator tends to show better performances compared to other estimators utilizing the true logging policy. While a similar phenomenon is known for estimators with i.i.d. samples, traditional explanations based on asymptotic efficiency cannot elucidate our case with dependent samples. We confirm this hypothesis through simulation studies.

We investigate the parameterized complexity of Bayesian Network Structure Learning (BNSL), a classical problem that has received significant attention in empirical but also purely theoretical studies. We follow up on previous works that have analyzed the complexity of BNSL w.r.t. the so-called superstructure of the input. While known results imply that BNSL is unlikely to be fixed-parameter tractable even when parameterized by the size of a vertex cover in the superstructure, here we show that a different kind of parameterization - notably by the size of a feedback edge set - yields fixed-parameter tractability. We proceed by showing that this result can be strengthened to a localized version of the feedback edge set, and provide corresponding lower bounds that complement previous results to provide a complexity classification of BNSL w.r.t. virtually all well-studied graph parameters.We then analyze how the complexity of BNSL depends on the representation of the input. In particular, while the bulk of past theoretical work on the topic assumed the use of the so-called non-zero representation, here we prove that if an additive representation can be used instead then BNSL becomes fixed-parameter tractable even under significantly milder restrictions to the superstructure, notably when parameterized by the treewidth …



We propose to learn to distinguish reversible from irreversible actions for better informed decision-making in Reinforcement Learning (RL). From theoretical considerations, we show that approximate reversibility can be learned through a simple surrogate task: ranking randomly sampled trajectory events in chronological order. Intuitively, pairs of events that are always observed in the same order are likely to be separated by an irreversible sequence of actions. Conveniently, learning the temporal order of events can be done in a fully self-supervised way, which we use to estimate the reversibility of actions from experience, without any priors.We propose two different strategies that incorporate reversibility in RL agents, one strategy for exploration (RAE) and one strategy for control (RAC). We demonstrate the potential of reversibility-aware agents in several environments, including the challenging Sokoban game. In synthetic tasks, we show that we can learn control policies that never fail and reduce to zero the side-effects of interactions, even without access to the reward function.
We establish generalization error bounds for stochastic gradient Langevin dynamics (SGLD) with constant learning rate under the assumptions of dissipativity and smoothness, a setting that has received increased attention in the sampling/optimization literature. Unlike existing bounds for SGLD in non-convex settings, ours are time-independent and decay to zero as the sample size increases. Using the framework of uniform stability, we establish time-independent bounds by exploiting the Wasserstein contraction property of the Langevin diffusion, which also allows us to circumvent the need to bound gradients using Lipschitz-like assumptions. Our analysis also supports variants of SGLD that use different discretization methods, incorporate Euclidean projections, or use non-isotropic noise.

Unsupervised domain adaptive classifcation intends to improve the classifcation performance on unlabeled target domain. To alleviate the adverse effect of domain shift, many approaches align the source and target domains in the feature space. However, a feature is usually taken as a whole for alignment without explicitly making domain alignment proactively serve the classifcation task, leading to sub-optimal solution. In this paper, we propose an effective Task-oriented Alignment (ToAlign) for unsupervised domain adaptation (UDA). We study what features should be aligned across domains and propose to make the domain alignment proactively serve classifcation by performing feature decomposition and alignment under the guidance of the prior knowledge induced from the classifcation task itself. Particularly, we explicitly decompose a feature in the source domain into a task-related/discriminative feature that should be aligned, and a task-irrelevant feature that should be avoided/ignored, based on the classifcation meta-knowledge. Extensive experimental results on various benchmarks (e.g., Offce-Home, Visda-2017, and DomainNet) under different domain adaptation settings demonstrate the effectiveness of ToAlign which helps achieve the state-of-the-art performance. The code is publicly available at https://github.com/microsoft/UDA.

Real-world data universally confronts a severe class-imbalance problem and exhibits a long-tailed distribution, i.e., most labels are associated with limited instances. The naïve models supervised by such datasets would prefer dominant labels, encounter a serious generalization challenge and become poorly calibrated. We propose two novel methods from the prior perspective to alleviate this dilemma. First, we deduce a balance-oriented data augmentation named Uniform Mixup (UniMix) to promote mixup in long-tailed scenarios, which adopts advanced mixing factor and sampler in favor of the minority. Second, motivated by the Bayesian theory, we figure out the Bayes Bias (Bayias), an inherent bias caused by the inconsistency of prior, and compensate it as a modification on standard cross-entropy loss. We further prove that both the proposed methods ensure the classification calibration theoretically and empirically. Extensive experiments verify that our strategies contribute to a better-calibrated model, and their combination achieves state-of-the-art performance on CIFAR-LT, ImageNet-LT, and iNaturalist 2018.

In recent years, Bi-Level Optimization (BLO) techniques have received extensive attentions from both learning and vision communities. A variety of BLO models in complex and practical tasks are of non-convex follower structure in nature (a.k.a., without Lower-Level Convexity, LLC for short). However, this challenging class of BLOs is lack of developments on both efficient solution strategies and solid theoretical guarantees. In this work, we propose a new algorithmic framework, named Initialization Auxiliary and Pessimistic Trajectory Truncated Gradient Method (IAPTT-GM), to partially address the above issues. In particular, by introducing an auxiliary as initialization to guide the optimization dynamics and designing a pessimistic trajectory truncation operation, we construct a reliable approximate version of the original BLO in the absence of LLC hypothesis. Our theoretical investigations establish the convergence of solutions returned by IAPTT-GM towards those of the original BLO without LLC. As an additional bonus, we also theoretically justify the quality of our IAPTT-GM embedded with Nesterov's accelerated dynamics under LLC. The experimental results confirm both the convergence of our algorithm without LLC, and the theoretical findings under LLC.
We target open-world feature extrapolation problem where the feature space of input data goes through expansion and a model trained on partially observed features needs to handle new features in test data without further retraining. The problem is of much significance for dealing with features incrementally collected from different fields. To this end, we propose a new learning paradigm with graph representation and learning. Our framework contains two modules: 1) a backbone network (e.g., feedforward neural nets) as a lower model takes features as input and outputs predicted labels; 2) a graph neural network as an upper model learns to extrapolate embeddings for new features via message passing over a feature-data graph built from observed data. Based on our framework, we design two training strategies, a self-supervised approach and an inductive learning approach, to endow the model with extrapolation ability and alleviate feature-level over-fitting. We also provide theoretical analysis on the generalization error on test data with new features, which dissects the impact of training features and algorithms on generalization performance. Our experiments over several classification datasets and large-scale advertisement click prediction datasets demonstrate that our model can produce effective embeddings for unseen features and significantly outperforms baseline methods that …



Transformers have recently gained increasing attention in computer vision. However, existing studies mostly use Transformers for feature representation learning, e.g. for image classification and dense predictions, and the generalizability of Transformers is unknown. In this work, we further investigate the possibility of applying Transformers for image matching and metric learning given pairs of images. We find that the Vision Transformer (ViT) and the vanilla Transformer with decoders are not adequate for image matching due to their lack of image-to-image attention. Thus, we further design two naive solutions, i.e. query-gallery concatenation in ViT, and query-gallery cross-attention in the vanilla Transformer. The latter improves the performance, but it is still limited. This implies that the attention mechanism in Transformers is primarily designed for global feature aggregation, which is not naturally suitable for image matching. Accordingly, we propose a new simplified decoder, which drops the full attention implementation with the softmax weighting, keeping only the query-key similarity computation. Additionally, global max pooling and a multilayer perceptron (MLP) head are applied to decode the matching result. This way, the simplified decoder is computationally more efficient, while at the same time more effective for image matching. The proposed method, called TransMatcher, achieves state-of-the-art performance in …


Parametric stochastic simulators are ubiquitous in science, often featuring high-dimensional input parameters and/or an intractable likelihood. Performing Bayesian parameter inference in this context can be challenging. We present a neural simulation-based inference algorithm which simultaneously offers simulation efficiency and fast empirical posterior testability, which is unique among modern algorithms. Our approach is simulation efficient by simultaneously estimating low-dimensional marginal posteriors instead of the joint posterior and by proposing simulations targeted to an observation of interest via a prior suitably truncated by an indicator function. Furthermore, by estimating a locally amortized posterior our algorithm enables efficient empirical tests of the robustness of the inference results. Since scientists cannot access the ground truth, these tests are necessary for trusting inference in real-world applications. We perform experiments on a marginalized version of the simulation-based inference benchmark and two complex and narrow posteriors, highlighting the simulator efficiency of our algorithm as well as the quality of the estimated marginal posteriors.

Multimodal regression is a fundamental task, which integrates the information from different sources to improve the performance of follow-up applications. However, existing methods mainly focus on improving the performance and often ignore the confidence of prediction for diverse situations. In this study, we are devoted to trustworthy multimodal regression which is critical in cost-sensitive domains. To this end, we introduce a novel Mixture of Normal-Inverse Gamma distributions (MoNIG) algorithm, which efficiently estimates uncertainty in principle for adaptive integration of different modalities and produces a trustworthy regression result. Our model can be dynamically aware of uncertainty for each modality, and also robust for corrupted modalities. Furthermore, the proposed MoNIG ensures explicitly representation of (modality-specific/global) epistemic and aleatoric uncertainties, respectively. Experimental results on both synthetic and different real-world data demonstrate the effectiveness and trustworthiness of our method on various multimodal regression tasks (e.g., temperature prediction for superconductivity, relative location prediction for CT slices, and multimodal sentiment analysis).

Very recently, a variety of vision transformer architectures for dense prediction tasks have been proposed and they show that the design of spatial attention is critical to their success in these tasks. In this work, we revisit the design of the spatial attention and demonstrate that a carefully devised yet simple spatial attention mechanism performs favorably against the state-of-the-art schemes. As a result, we propose two vision transformer architectures, namely, Twins- PCPVT and Twins-SVT. Our proposed architectures are highly efficient and easy to implement, only involving matrix multiplications that are highly optimized in modern deep learning frameworks. More importantly, the proposed architectures achieve excellent performance on a wide range of visual tasks including image-level classification as well as dense detection and segmentation. The simplicity and strong performance suggest that our proposed architectures may serve as stronger backbones for many vision tasks.

Ensemble-based debiasing methods have been shown effective in mitigating the reliance of classifiers on specific dataset bias, by exploiting the output of a bias-only model to adjust the learning target. In this paper, we focus on the bias-only model in these ensemble-based methods, which plays an important role but has not gained much attention in the existing literature. Theoretically, we prove that the debiasing performance can be damaged by inaccurate uncertainty estimations of the bias-only model. Empirically, we show that existing bias-only models fall short in producing accurate uncertainty estimations. Motivated by these findings, we propose to conduct calibration on the bias-only model, thus achieving a three-stage ensemble-based debiasing framework, including bias modeling, model calibrating, and debiasing. Experimental results on NLI and fact verification tasks show that our proposed three-stage debiasing framework consistently outperforms the traditional two-stage one in out-of-distribution accuracy.


To deal with ambiguities in partial multilabel learning (PML), state-of-the-art methods perform disambiguation by identifying ground-truth labels directly. However, there is an essential question:“Can the ground-truth labels be identified precisely?". If yes, “How can the ground-truth labels be found?". This paper provides affirmative answers to these questions. Instead of adopting hand-made heuristic strategy, we propose a novel Mutual Information Label Identification for Partial Multilabel Learning (MILI-PML), which is derived from a clear probabilistic formulation and could be easily interpreted theoretically from the mutual information perspective, as well as naturally incorporates the feature/label relevancy considerations. Extensive experiments on synthetic and real-world datasets clearly demonstrate the superiorities of the proposed MILI-PML.

We introduce robust principal component analysis from a data matrix in which the entries of its columns have been corrupted by permutations, termed Unlabeled Principal Component Analysis (UPCA). Using algebraic geometry, we establish that UPCA is a well-defined algebraic problem in the sense that the only matrices of minimal rank that agree with the given data are row-permutations of the ground-truth matrix, arising as the unique solutions of a polynomial system of equations. Further, we propose an efficient two-stage algorithmic pipeline for UPCA suitable for the practically relevant case where only a fraction of the data have been permuted. Stage-I employs outlier-robust PCA methods to estimate the ground-truth column-space. Equipped with the column-space, Stage-II applies recent methods for unlabeled sensing to restore the permuted data. Experiments on synthetic data, face images, educational and medical records reveal the potential of UPCA for applications such as data privatization and record linkage.


Conventional meta-learning considers a set of tasks from a stationary distribution. In contrast, this paper focuses on a more complex online setting, where tasks arrive sequentially and follow a non-stationary distribution. Accordingly, we propose a Variational Continual Bayesian Meta-Learning (VC-BML) algorithm. VC-BML maintains a Dynamic Gaussian Mixture Model for meta-parameters, with the number of component distributions determined by a Chinese Restaurant Process. Dynamic mixtures at the meta-parameter level increase the capability to adapt to diverse tasks due to a larger parameter space, alleviating the negative knowledge transfer problem. To infer posteriors of model parameters, compared to the previously used point estimation method, we develop a more robust posterior approximation method -- structured variational inference for the sake of avoiding forgetting knowledge. Experiments on tasks from non-stationary distributions show that VC-BML is superior in transferring knowledge among diverse tasks and alleviating catastrophic forgetting in an online setting.

Multi-task learning aims to explore task relatedness to improve individual tasks, which is of particular significance in the challenging scenario that only limited data is available for each task. To tackle this challenge, we propose variational multi-task learning (VMTL), a general probabilistic inference framework for learning multiple related tasks. We cast multi-task learning as a variational Bayesian inference problem, in which task relatedness is explored in a unified manner by specifying priors. To incorporate shared knowledge into each task, we design the prior of a task to be a learnable mixture of the variational posteriors of other related tasks, which is learned by the Gumbel-Softmax technique. In contrast to previous methods, our VMTL can exploit task relatedness for both representations and classifiers in a principled way by jointly inferring their posteriors. This enables individual tasks to fully leverage inductive biases provided by related tasks, therefore improving the overall performance of all tasks. Experimental results demonstrate that the proposed VMTL is able to effectively tackle a variety of challenging multi-task learning settings with limited training data for both classification and regression. Our method consistently surpasses previous methods, including strong Bayesian approaches, and achieves state-of-the-art performance on five benchmark datasets.

Visual search is a ubiquitous and often challenging daily task, exemplified by looking for the car keys at home or a friend in a crowd. An intriguing property of some classical search tasks is an asymmetry such that finding a target A among distractors B can be easier than finding B among A. To elucidate the mechanisms responsible for asymmetry in visual search, we propose a computational model that takes a target and a search image as inputs and produces a sequence of eye movements until the target is found. The model integrates eccentricity-dependent visual recognition with target-dependent top-down cues. We compared the model against human behavior in six paradigmatic search tasks that show asymmetry in humans. Without prior exposure to the stimuli or task-specific training, the model provides a plausible mechanism for search asymmetry. We hypothesized that the polarity of search asymmetry arises from experience with the natural environment. We tested this hypothesis by training the model on augmented versions of ImageNet where the biases of natural images were either removed or reversed. The polarity of search asymmetry disappeared or was altered depending on the training protocol. This study highlights how classical perceptual properties can emerge in neural network …

Actor-critic (AC) algorithms, empowered by neural networks, have had significant empirical success in recent years. However, most of the existing theoretical support for AC algorithms focuses on the case of linear function approximations, or linearized neural networks, where the feature representation is fixed throughout training. Such a limitation fails to capture the key aspect of representation learning in neural AC, which is pivotal in practical problems. In this work, we take a mean-field perspective on the evolution and convergence of feature-based neural AC. Specifically, we consider a version of AC where the actor and critic are represented by overparameterized two-layer neural networks and are updated with two-timescale learning rates. The critic is updated by temporal-difference (TD) learning with a larger stepsize while the actor is updated via proximal policy optimization (PPO) with a smaller stepsize. In the continuous-time and infinite-width limiting regime, when the timescales are properly separated, we prove that neural AC finds the globally optimal policy at a sublinear rate. Additionally, we prove that the feature representation induced by the critic network is allowed to evolve within a neighborhood of the initial one.
Tabular datasets are the last "unconquered castle" for deep learning, with traditional ML methods like Gradient-Boosted Decision Trees still performing strongly even against recent specialized neural architectures. In this paper, we hypothesize that the key to boosting the performance of neural networks lies in rethinking the joint and simultaneous application of a large set of modern regularization techniques. As a result, we propose regularizing plain Multilayer Perceptron (MLP) networks by searching for the optimal combination/cocktail of 13 regularization techniques for each dataset using a joint optimization over the decision on which regularizers to apply and their subsidiary hyperparameters. We empirically assess the impact of these regularization cocktails for MLPs in a large-scale empirical study comprising 40 tabular datasets and demonstrate that (i) well-regularized plain MLPs significantly outperform recent state-of-the-art specialized neural network architectures, and (ii) they even outperform strong traditional ML methods, such as XGBoost.

How to learn a good predictor on data with missing values? Most efforts focus on first imputing as well as possible and second learning on the completed data to predict the outcome. Yet, this widespread practice has no theoretical grounding. Here we show that for almost all imputation functions, an impute-then-regress procedure with a powerful learner is Bayes optimal. This result holds for all missing-values mechanisms, in contrast with the classic statistical results that require missing-at-random settings to use imputation in probabilistic modeling. Moreover, it implies that perfect conditional imputation is not needed for good prediction asymptotically. In fact, we show that on perfectly imputed data the best regression function will generally be discontinuous, which makes it hard to learn. Crafting instead the imputation so as to leave the regression function unchanged simply shifts the problem to learning discontinuous imputations. Rather, we suggest that it is easier to learn imputation and regression jointly. We propose such a procedure, adapting NeuMiss, a neural network capturing the conditional links across observed and unobserved variables whatever the missing-value pattern. Our experiments confirm that joint imputation and regression through NeuMiss is better than various two step procedures in a finite-sample regime.
Social: Queer in AI Thu 9 Dec 05:00 a.m.
Queer in AI’s demographic survey reveals that most queer scientists in our community do not feel completely welcome in conferences and their work environments, with the main reasons being a lack of queer community and role models. Over the past years, Queer in AI has worked towards these goals, yet we have observed that the voices of marginalized queer communities - especially transgender, non-binary folks and queer BIPOC folks - have been neglected.
Our social is a safe and inclusive casual networking and socializing space for LGBTQIA+ individuals involved with AI that celebrates all queer people around the world. Together with our workshop, our events will create a community space where attendees can learn and grow from connecting with each other, bonding over shared experiences, and learning from each individual’s unique insights into AI, queerness, and beyond!
Invited Talk: Daniel Kahneman
A Conversation on Human and Machine Intelligence
Bio :
Poster Session 6 Thu 9 Dec 08:30 a.m.
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Two-sided marketplaces are standard business models of many online platforms (e.g., Amazon, Facebook, LinkedIn), wherein the platforms have consumers, buyers or content viewers on one side and producers, sellers or content-creators on the other. Consumer side measurement of the impact of a treatment variant can be done via simple online A/B testing. Producer side measurement is more challenging because the producer experience depends on the treatment assignment of the consumers. Existing approaches for producer side measurement are either based on graph cluster-based randomization or on certain treatment propagation assumptions. The former approach results in low-powered experiments as the producer-consumer network density increases and the latter approach lacks a strict notion of error control. In this paper, we propose (i) a quantification of the quality of a producer side experiment design, and (ii) a new experiment design mechanism that generates high-quality experiments based on this quantification. Our approach, called UniCoRn (Unifying Counterfactual Rankings), provides explicit control over the quality of the experiment and its computation cost. Further, we prove that our experiment design is optimal to the proposed design quality measure. Our approach is agnostic to the density of the producer-consumer network and does not rely on any treatment propagation assumption. …
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Knowledge distillation (KD) has recently been identified as a method that can unintentionally leak private information regarding the details of a teacher model to an unauthorized student. Recent research in developing undistillable nasty teachers that can protect model confidentiality has gained significant attention. However, the level of protection these nasty models offer has been largely untested. In this paper, we show that transferring knowledge to a shallow sub-section of a student can largely reduce a teacher’s influence. By exploring the depth of the shallow subsection, we then present a distillation technique that enables a skeptical student model to learn even from a nasty teacher. To evaluate the efficacy of our skeptical students, we conducted experiments with several models with KD on both training data-available and data-free scenarios for various datasets. While distilling from nasty teachers, compared to the normal student models, skeptical students consistently provide superior classification performance of up to ∼59.5%. Moreover, similar to normal students, skeptical students maintain high classification accuracy when distilled from a normal teacher, showing their efficacy irrespective of the teacher being nasty or not. We believe the ability of skeptical students to largely diminish the KD-immunity of potentially nasty teachers will motivate the research …
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Federated learning (FL) is a challenging setting for optimization due to the heterogeneity of the data across different clients which gives rise to the client drift phenomenon. In fact, obtaining an algorithm for FL which is uniformly better than simple centralized training has been a major open problem thus far. In this work, we propose a general algorithmic framework, Mime, which i) mitigates client drift and ii) adapts arbitrary centralized optimization algorithms such as momentum and Adam to the cross-device federated learning setting. Mime uses a combination of control-variates and server-level statistics (e.g. momentum) at every client-update step to ensure that each local update mimics that of the centralized method run on iid data. We prove a reduction result showing that Mime can translate the convergence of a generic algorithm in the centralized setting into convergence in the federated setting. Further, we show that when combined with momentum based variance reduction, Mime is provably faster than any centralized method--the first such result. We also perform a thorough experimental exploration of Mime's performance on real world datasets.
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Offline reinforcement learning (RL) tasks require the agent to learn from a pre-collected dataset with no further interactions with the environment. Despite the potential to surpass the behavioral policies, RL-based methods are generally impractical due to the training instability and bootstrapping the extrapolation errors, which always require careful hyperparameter tuning via online evaluation. In contrast, offline imitation learning (IL) has no such issues since it learns the policy directly without estimating the value function by bootstrapping. However, IL is usually limited in the capability of the behavioral policy and tends to learn a mediocre behavior from the dataset collected by the mixture of policies. In this paper, we aim to take advantage of IL but mitigate such a drawback. Observing that behavior cloning is able to imitate neighboring policies with less data, we propose \textit{Curriculum Offline Imitation Learning (COIL)}, which utilizes an experience picking strategy to make the agent imitate from adaptive neighboring policies with a higher return, and improves the current policy along curriculum stages. On continuous control benchmarks, we compare COIL against both imitation-based methods and RL-based methods, showing that COIL not only avoids just learning a mediocre behavior on mixed datasets but is also even competitive with …
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We consider the problem of online learning in the presence of distribution shifts that occur at an unknown rate and of unknown intensity. We derive a new Bayesian online inference approach to simultaneously infer these distribution shifts and adapt the model to the detected changes by integrating ideas from change point detection, switching dynamical systems, and Bayesian online learning. Using a binary ‘change variable,’ we construct an informative prior such that--if a change is detected--the model partially erases the information of past model updates by tempering to facilitate adaptation to the new data distribution. Furthermore, the approach uses beam search to track multiple change-point hypotheses and selects the most probable one in hindsight. Our proposed method is model-agnostic, applicable in both supervised and unsupervised learning settings, suitable for an environment of concept drifts or covariate drifts, and yields improvements over state-of-the-art Bayesian online learning approaches.
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The advent of machine learning models that surpass human decision-making ability in complex domains has initiated a movement towards building AI systems that interact with humans. Many building blocks are essential for this activity, with a central one being the algorithmic characterization of human behavior. While much of the existing work focuses on aggregate human behavior, an important long-range goal is to develop behavioral models that specialize to individual people and can differentiate among them.To formalize this process, we study the problem of behavioral stylometry, in which the task is to identify a decision-maker from their decisions alone. We present a transformer-based approach to behavioral stylometry in the context of chess, where one attempts to identify the player who played a set of games. Our method operates in a few-shot classification framework, and can correctly identify a player from among thousands of candidate players with 98% accuracy given only 100 labeled games. Even when trained on amateur play, our method generalises to out-of-distribution samples of Grandmaster players, despite the dramatic differences between amateur and world-class players. Finally, we consider more broadly what our resulting embeddings reveal about human style in chess, as well as the potential ethical implications of powerful …
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Scientific observations may consist of a large number of variables (features). Selecting a subset of meaningful features is often crucial for identifying patterns hidden in the ambient space. In this paper, we present a method for unsupervised feature selection, and we demonstrate its advantage in clustering, a common unsupervised task. We propose a differentiable loss that combines a graph Laplacian-based score that favors low-frequency features with a gating mechanism for removing nuisance features. Our method improves upon the naive graph Laplacian score by replacing it with a gated variant computed on a subset of low-frequency features. We identify this subset by learning the parameters of continuously relaxed Bernoulli variables, which gate the entire feature space. We mathematically motivate the proposed approach and demonstrate that it is crucial to compute the graph Laplacian on the gated inputs rather than on the full feature set in the high noise regime. Using several real-world examples, we demonstrate the efficacy and advantage of the proposed approach over leading baselines.
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The Probabilistic Watershed is a semi-supervised learning algorithm applied on undirected graphs. Given a set of labeled nodes (seeds), it defines a Gibbs probability distribution over all possible spanning forests disconnecting the seeds. It calculates, for every node, the probability of sampling a forest connecting a certain seed with the considered node. We propose the "Directed Probabilistic Watershed", an extension of the Probabilistic Watershed algorithm to directed graphs. Building on the Probabilistic Watershed, we apply the Matrix Tree Theorem for directed graphs and define a Gibbs probability distribution over all incoming directed forests rooted at the seeds. Similar to the undirected case, this turns out to be equivalent to the Directed Random Walker. Furthermore, we show that in the limit case in which the Gibbs distribution has infinitely low temperature, the labeling of the Directed Probabilistic Watershed is equal to the one induced by the incoming directed forest of minimum cost. Finally, for illustration, we compare the empirical performance of the proposed method with other semi-supervised segmentation methods for directed graphs.
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We introduce a new general identifiable framework for principled disentanglement referred to as Structured Nonlinear Independent Component Analysis (SNICA). Our contribution is to extend the identifiability theory of deep generative models for a very broad class of structured models. While previous works have shown identifiability for specific classes of time-series models, our theorems extend this to more general temporal structures as well as to models with more complex structures such as spatial dependencies. In particular, we establish the major result that identifiability for this framework holds even in the presence of noise of unknown distribution. Finally, as an example of our framework's flexibility, we introduce the first nonlinear ICA model for time-series that combines the following very useful properties: it accounts for both nonstationarity and autocorrelation in a fully unsupervised setting; performs dimensionality reduction; models hidden states; and enables principled estimation and inference by variational maximum-likelihood.
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Several problems in neuroimaging and beyond require inference on the parameters of multi-task sparse hierarchical regression models. Examples include M/EEG inverse problems, neural encoding models for task-based fMRI analyses, and climate science. In these domains, both the model parameters to be inferred and the measurement noise may exhibit a complex spatio-temporal structure. Existing work either neglects the temporal structure or leads to computationally demanding inference schemes. Overcoming these limitations, we devise a novel flexible hierarchical Bayesian framework within which the spatio-temporal dynamics of model parameters and noise are modeled to have Kronecker product covariance structure. Inference in our framework is based on majorization-minimization optimization and has guaranteed convergence properties. Our highly efficient algorithms exploit the intrinsic Riemannian geometry of temporal autocovariance matrices. For stationary dynamics described by Toeplitz matrices, the theory of circulant embeddings is employed. We prove convex bounding properties and derive update rules of the resulting algorithms. On both synthetic and real neural data from M/EEG, we demonstrate that our methods lead to improved performance.
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Aggregating multiple sources of weak supervision (WS) can ease the data-labeling bottleneck prevalent in many machine learning applications, by replacing the tedious manual collection of ground truth labels. Current state of the art approaches that do not use any labeled training data, however, require two separate modeling steps: Learning a probabilistic latent variable model based on the WS sources -- making assumptions that rarely hold in practice -- followed by downstream model training. Importantly, the first step of modeling does not consider the performance of the downstream model.To address these caveats we propose an end-to-end approach for directly learning the downstream model by maximizing its agreement with probabilistic labels generated by reparameterizing previous probabilistic posteriors with a neural network. Our results show improved performance over prior work in terms of end model performance on downstream test sets, as well as in terms of improved robustness to dependencies among weak supervision sources.
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The interplay between exploration and exploitation in competitive multi-agent learning is still far from being well understood. Motivated by this, we study smooth Q-learning, a prototypical learning model that explicitly captures the balance between game rewards and exploration costs. We show that Q-learning always converges to the unique quantal-response equilibrium (QRE), the standard solution concept for games under bounded rationality, in weighted zero-sum polymatrix games with heterogeneous learning agents using positive exploration rates. Complementing recent results about convergence in weighted potential games [16,34], we show that fast convergence of Q-learning in competitive settings obtains regardless of the number of agents and without any need for parameter fine-tuning. As showcased by our experiments in network zero-sum games, these theoretical results provide the necessary guarantees for an algorithmic approach to the currently open problem of equilibrium selection in competitive multi-agent settings.
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We propose a novel technique for faster deep neural network training which systematically applies sample-based approximation to the constituent tensor operations, i.e., matrix multiplications and convolutions. We introduce new sampling techniques, study their theoretical properties, and prove that they provide the same convergence guarantees when applied to SGD training. We apply approximate tensor operations to single and multi-node training of MLP and CNN networks on MNIST, CIFAR-10 and ImageNet datasets. We demonstrate up to 66% reduction in the amount of computations and communication, and up to 1.37x faster training time while maintaining negligible or no impact on the final test accuracy.
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We study the problem of active pure exploration with fixed confidence in generic stochastic bandit environments. The goal of the learner is to answer a query about the environment with a given level of certainty while minimizing her sampling budget. For this problem, instance-specific lower bounds on the expected sample complexity reveal the optimal proportions of arm draws an Oracle algorithm would apply. These proportions solve an optimization problem whose tractability strongly depends on the structural properties of the environment, but may be instrumental in the design of efficient learning algorithms. We devise Frank-Wolfe-based Sampling (FWS), a simple algorithm whose sample complexity matches the lower bounds for a wide class of pure exploration problems. The algorithm is computationally efficient as, to learn and track the optimal proportion of arm draws, it relies on a single iteration of Frank-Wolfe algorithm applied to the lower-bound optimization problem. We apply FWS to various pure exploration tasks, including best arm identification in unstructured, thresholded, linear, and Lipschitz bandits. Despite its simplicity, FWS is competitive compared to state-of-art algorithms.
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The increasing size of data generated by smartphones and IoT devices motivated the development of Federated Learning (FL), a framework for on-device collaborative training of machine learning models. First efforts in FL focused on learning a single global model with good average performance across clients, but the global model may be arbitrarily bad for a given client, due to the inherent heterogeneity of local data distributions. Federated multi-task learning (MTL) approaches can learn personalized models by formulating an opportune penalized optimization problem. The penalization term can capture complex relations among personalized models, but eschews clear statistical assumptions about local data distributions. In this work, we propose to study federated MTL under the flexible assumption that each local data distribution is a mixture of unknown underlying distributions. This assumption encompasses most of the existing personalized FL approaches and leads to federated EM-like algorithms for both client-server and fully decentralized settings. Moreover, it provides a principled way to serve personalized models to clients not seen at training time. The algorithms' convergence is analyzed through a novel federated surrogate optimization framework, which can be of general interest. Experimental results on FL benchmarks show that our approach provides models with higher accuracy and fairness …
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Several performance measures can be used for evaluating classification results: accuracy, F-measure, and many others. Can we say that some of them are better than others, or, ideally, choose one measure that is best in all situations? To answer this question, we conduct a systematic analysis of classification performance measures: we formally define a list of desirable properties and theoretically analyze which measures satisfy which properties. We also prove an impossibility theorem: some desirable properties cannot be simultaneously satisfied. Finally, we propose a new family of measures satisfying all desirable properties except one. This family includes the Matthews Correlation Coefficient and a so-called Symmetric Balanced Accuracy that was not previously used in classification literature. We believe that our systematic approach gives an important tool to practitioners for adequately evaluating classification results.
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Subsampling is used in convolutional neural networks (CNNs) in the form of pooling or strided convolutions, to reduce the spatial dimensions of feature maps and to allow the receptive fields to grow exponentially with depth. However, it is known that such subsampling operations are not translation equivariant, unlike convolutions that are translation equivariant. Here, we first introduce translation equivariant subsampling/upsampling layers that can be used to construct exact translation equivariant CNNs. We then generalise these layers beyond translations to general groups, thus proposing group equivariant subsampling/upsampling. We use these layers to construct group equivariant autoencoders (GAEs) that allow us to learn low-dimensional equivariant representations. We empirically verify on images that the representations are indeed equivariant to input translations and rotations, and thus generalise well to unseen positions and orientations. We further use GAEs in models that learn object-centric representations on multi-object datasets, and show improved data efficiency and decomposition compared to non-equivariant baselines.
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Dropout regularization methods prune a neural network's pre-determined backbone structure to avoid overfitting. However, a deep model still tends to be poorly calibrated with high confidence on incorrect predictions. We propose a unified Bayesian model selection method to jointly infer the most plausible network depth warranted by data, and perform dropout regularization simultaneously. In particular, to infer network depth we define a beta process over the number of hidden layers which allows it to go to infinity. Layer-wise activation probabilities induced by the beta process modulate neuron activation via binary vectors of a conjugate Bernoulli process. Experiments across domains show that by adapting network depth and dropout regularization to data, our method achieves superior performance comparing to state-of-the-art methods with well-calibrated uncertainty estimates. In continual learning, our method enables neural networks to dynamically evolve their depths to accommodate incrementally available data beyond their initial structures, and alleviate catastrophic forgetting.
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Recently, deep reinforcement learning (DRL) methods have achieved impressive performance on tasks in a variety of domains. However, neural network policies produced with DRL methods are not human-interpretable and often have difficulty generalizing to novel scenarios. To address these issues, prior works explore learning programmatic policies that are more interpretable and structured for generalization. Yet, these works either employ limited policy representations (e.g. decision trees, state machines, or predefined program templates) or require stronger supervision (e.g. input/output state pairs or expert demonstrations). We present a framework that instead learns to synthesize a program, which details the procedure to solve a task in a flexible and expressive manner, solely from reward signals. To alleviate the difficulty of learning to compose programs to induce the desired agent behavior from scratch, we propose to first learn a program embedding space that continuously parameterizes diverse behaviors in an unsupervised manner and then search over the learned program embedding space to yield a program that maximizes the return for a given task. Experimental results demonstrate that the proposed framework not only learns to reliably synthesize task-solving programs but also outperforms DRL and program synthesis baselines while producing interpretable and more generalizable policies. We also justify …
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Peer review systems such as conference paper review often suffer from the issue of miscalibration. Previous works on peer review calibration usually only use the ordinal information or assume simplistic reviewer scoring functions such as linear functions. In practice, applications like academic conferences often rely on manual methods, such as open discussions, to mitigate miscalibration. It remains an important question to develop algorithms that can handle different types of miscalibrations based on available prior knowledge. In this paper, we propose a flexible framework, namely \emph{least square calibration} (LSC), for selecting top candidates from peer ratings. Our framework provably performs perfect calibration from noiseless linear scoring functions under mild assumptions, yet also provides competitive calibration results when the scoring function is from broader classes beyond linear functions and with arbitrary noise. On our synthetic dataset, we empirically demonstrate that our algorithm consistently outperforms the baseline which select top papers based on the highest average ratings.
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Reinforcement learning (RL) aims to find an optimal policy by interaction with an environment. Consequently, learning complex behavior requires a vast number of samples, which can be prohibitive in practice. Nevertheless, instead of systematically reasoning and actively choosing informative samples, policy gradients for local search are often obtained from random perturbations. These random samples yield high variance estimates and hence are sub-optimal in terms of sample complexity. Actively selecting informative samples is at the core of Bayesian optimization, which constructs a probabilistic surrogate of the objective from past samples to reason about informative subsequent ones. In this paper, we propose to join both worlds. We develop an algorithm utilizing a probabilistic model of the objective function and its gradient. Based on the model, the algorithm decides where to query a noisy zeroth-order oracle to improve the gradient estimates. The resulting algorithm is a novel type of policy search method, which we compare to existing black-box algorithms. The comparison reveals improved sample complexity and reduced variance in extensive empirical evaluations on synthetic objectives. Further, we highlight the benefits of active sampling on popular RL benchmarks.
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Decomposing a scene into its shape, reflectance and illumination is a fundamental problem in computer vision and graphics. Neural approaches such as NeRF have achieved remarkable success in view synthesis, but do not explicitly perform decomposition and instead operate exclusively on radiance (the product of reflectance and illumination). Extensions to NeRF, such as NeRD, can perform decomposition but struggle to accurately recover detailed illumination, thereby significantly limiting realism. We propose a novel reflectance decomposition network that can estimate shape, BRDF, and per-image illumination given a set of object images captured under varying illumination. Our key technique is a novel illumination integration network called Neural-PIL that replaces a costly illumination integral operation in the rendering with a simple network query. In addition, we also learn deep low-dimensional priors on BRDF and illumination representations using novel smooth manifold auto-encoders. Our decompositions can result in considerably better BRDF and light estimates enabling more accurate novel view-synthesis and relighting compared to prior art. Project page: https://markboss.me/publication/2021-neural-pil/
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We provide a general framework for studying recurrent neural networks (RNNs) trained by injecting noise into hidden states. Specifically, we consider RNNs that can be viewed as discretizations of stochastic differential equations driven by input data. This framework allows us to study the implicit regularization effect of general noise injection schemes by deriving an approximate explicit regularizer in the small noise regime. We find that, under reasonable assumptions, this implicit regularization promotes flatter minima; it biases towards models with more stable dynamics; and, in classification tasks, it favors models with larger classification margin. Sufficient conditions for global stability are obtained, highlighting the phenomenon of stochastic stabilization, where noise injection can improve stability during training. Our theory is supported by empirical results which demonstrate that the RNNs have improved robustness with respect to various input perturbations.
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Training neural networks with batch normalization and weight decay has become a common practice in recent years. In this work, we show that their combined use may result in a surprising periodic behavior of optimization dynamics: the training process regularly exhibits destabilizations that, however, do not lead to complete divergence but cause a new period of training. We rigorously investigate the mechanism underlying the discovered periodic behavior from both empirical and theoretical points of view and analyze the conditions in which it occurs in practice. We also demonstrate that periodic behavior can be regarded as a generalization of two previously opposing perspectives on training with batch normalization and weight decay, namely the equilibrium presumption and the instability presumption.
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While reinforcement learning algorithms provide automated acquisition of optimal policies, practical application of such methods requires a number of design decisions, such as manually designing reward functions that not only define the task, but also provide sufficient shaping to accomplish it. In this paper, we view reinforcement learning as inferring policies that achieve desired outcomes, rather than as a problem of maximizing rewards. To solve this inference problem, we establish a novel variational inference formulation that allows us to derive a well-shaped reward function which can be learned directly from environment interactions. From the corresponding variational objective, we also derive a new probabilistic Bellman backup operator and use it to develop an off-policy algorithm to solve goal-directed tasks. We empirically demonstrate that this method eliminates the need to hand-craft reward functions for a suite of diverse manipulation and locomotion tasks and leads to effective goal-directed behaviors.
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The plug-and-play priors (PnP) and regularization by denoising (RED) methods have become widely used for solving inverse problems by leveraging pre-trained deep denoisers as image priors. While the empirical imaging performance and the theoretical convergence properties of these algorithms have been widely investigated, their recovery properties have not previously been theoretically analyzed. We address this gap by showing how to establish theoretical recovery guarantees for PnP/RED by assuming that the solution of these methods lies near the fixed-points of a deep neural network. We also present numerical results comparing the recovery performance of PnP/RED in compressive sensing against that of recent compressive sensing algorithms based on generative models. Our numerical results suggest that PnP with a pre-trained artifact removal network provides significantly better results compared to the existing state-of-the-art methods.
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Exact multi-label classification is the task of assigning each datapoint a set of class labels such that the assigned set exactly matches the ground truth. Optimizing for exact multi-label classification is important in domains where missing a single label can be especially costly, such as in object detection for autonomous vehicles or symptom classification for disease diagnosis. Recurrent Classifier Chains (RCCs), a recurrent neural network extension of ensemble-based classifier chains, are the state-of-the-art exact multi-label classification method for maximizing subset accuracy. However, RCCs iteratively predict classes with an unprincipled ordering, and therefore indiscriminately condition class probabilities. These disadvantages make RCCs prone to predicting inaccurate label sets. In this work we propose Recurrent Bayesian Classifier Chains (RBCCs), which learn a Bayesian network of class dependencies and leverage this network in order to condition the prediction of child nodes only on their parents. By conditioning predictions in this way, we perform principled and non-noisy class prediction. We demonstrate the effectiveness of our RBCC method on a variety of real-world multi-label datasets, where we routinely outperform the state of the art methods for exact multi-label classification.
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Although the fairness community has recognized the importance of data, researchers in the area primarily rely on UCI Adult when it comes to tabular data. Derived from a 1994 US Census survey, this dataset has appeared in hundreds of research papers where it served as the basis for the development and comparison of many algorithmic fairness interventions. We reconstruct a superset of the UCI Adult data from available US Census sources and reveal idiosyncrasies of the UCI Adult dataset that limit its external validity. Our primary contribution is a suite of new datasets derived from US Census surveys that extend the existing data ecosystem for research on fair machine learning. We create prediction tasks relating to income, employment, health, transportation, and housing. The data span multiple years and all states of the United States, allowing researchers to study temporal shift and geographic variation. We highlight a broad initial sweep of new empirical insights relating to trade-offs between fairness criteria, performance of algorithmic interventions, and the role of distribution shift based on our new datasets. Our findings inform ongoing debates, challenge some existing narratives, and point to future research directions.
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Sample efficiency and risk-awareness are central to the development of practical reinforcement learning (RL) for complex decision-making. The former can be addressed by transfer learning, while the latter by optimizing some utility function of the return. However, the problem of transferring skills in a risk-aware manner is not well-understood. In this paper, we address the problem of transferring policies between tasks in a common domain that differ only in their reward functions, in which risk is measured by the variance of reward streams. Our approach begins by extending the idea of generalized policy improvement to maximize entropic utilities, thus extending the dynamic programming's policy improvement operation to sets of policies \emph{and} levels of risk-aversion. Next, we extend the idea of successor features (SF), a value function representation that decouples the environment dynamics from the rewards, to capture the variance of returns. Our resulting risk-aware successor features (RaSF) integrate seamlessly within the RL framework, inherit the superior task generalization ability of SFs, while incorporating risk into the decision-making. Experiments on a discrete navigation domain and control of a simulated robotic arm demonstrate the ability of RaSFs to outperform alternative methods including SFs, when taking the risk of the learned policies into …
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In image retrieval, standard evaluation metrics rely on score ranking, e.g. average precision (AP). In this paper, we introduce a method for robust and decomposable average precision (ROADMAP) addressing two major challenges for end-to-end training of deep neural networks with AP: non-differentiability and non-decomposability.Firstly, we propose a new differentiable approximation of the rank function, which provides an upper bound of the AP loss and ensures robust training. Secondly, we design a simple yet effective loss function to reduce the decomposability gap between the AP in the whole training set and its averaged batch approximation, for which we provide theoretical guarantees.Extensive experiments conducted on three image retrieval datasets show that ROADMAP outperforms several recent AP approximation methods and highlight the importance of our two contributions. Finally, using ROADMAP for training deep models yields very good performances, outperforming state-of-the-art results on the three datasets.Code and instructions to reproduce our results will be made publicly available at https://github.com/elias-ramzi/ROADMAP.
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Policy gradient (PG) methods are popular reinforcement learning (RL) methods where a baseline is often applied to reduce the variance of gradient estimates. In multi-agent RL (MARL), although the PG theorem can be naturally extended, the effectiveness of multi-agent PG (MAPG) methods degrades as the variance of gradient estimates increases rapidly with the number of agents. In this paper, we offer a rigorous analysis of MAPG methods by, firstly, quantifying the contributions of the number of agents and agents' explorations to the variance of MAPG estimators. Based on this analysis, we derive the optimal baseline (OB) that achieves the minimal variance. In comparison to the OB, we measure the excess variance of existing MARL algorithms such as vanilla MAPG and COMA. Considering using deep neural networks, we also propose a surrogate version of OB, which can be seamlessly plugged into any existing PG methods in MARL. On benchmarks of Multi-Agent MuJoCo and StarCraft challenges, our OB technique effectively stabilises training and improves the performance of multi-agent PPO and COMA algorithms by a significant margin. Code is released at \url{https://github.com/morning9393/Optimal-Baseline-for-Multi-agent-Policy-Gradients}.
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In recent years, neural implicit representations gained popularity in 3D reconstruction due to their expressiveness and flexibility. However, the implicit nature of neural implicit representations results in slow inference times and requires careful initialization. In this paper, we revisit the classic yet ubiquitous point cloud representation and introduce a differentiable point-to-mesh layer using a differentiable formulation of Poisson Surface Reconstruction (PSR) which allows for a GPU-accelerated fast solution of the indicator function given an oriented point cloud. The differentiable PSR layer allows us to efficiently and differentiably bridge the explicit 3D point representation with the 3D mesh via the implicit indicator field, enabling end-to-end optimization of surface reconstruction metrics such as Chamfer distance. This duality between points and meshes hence allows us to represent shapes as oriented point clouds, which are explicit, lightweight and expressive. Compared to neural implicit representations, our Shape-As-Points (SAP) model is more interpretable, lightweight, and accelerates inference time by one order of magnitude. Compared to other explicit representations such as points, patches, and meshes, SAP produces topology-agnostic, watertight manifold surfaces. We demonstrate the effectiveness of SAP on the task of surface reconstruction from unoriented point clouds and learning-based reconstruction.
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Graph Similarity Computation (GSC) is essential to wide-ranging graph applications such as retrieval, plagiarism/anomaly detection, etc. The exact computation of graph similarity, e.g., Graph Edit Distance (GED), is an NP-hard problem that cannot be exactly solved within an adequate time given large graphs. Thanks to the strong representation power of graph neural network (GNN), a variety of GNN-based inexact methods emerged. To capture the subtle difference across graphs, the key success is designing the dense interaction with features fusion at the early stage, which, however, is a trade-off between speed and accuracy. For slow learning of graph similarity, this paper proposes a novel early-fusion approach by designing a co-attention-based feature fusion network on multilevel GNN features. To further improve the speed without much accuracy drop, we introduce an efficient GSC solution by distilling the knowledge from the slow early-fusion model to the student one for fast inference. Such a student model also enables the offline collection of individual graph embeddings, speeding up the inference time in orders. To address the instability through knowledge transfer, we decompose the dynamic joint embedding into the static pseudo individual ones for precise teacher-student alignment. The experimental analysis on the real-world datasets demonstrates the superiority …
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We present temporally abstract actor-critic (TAAC), a simple but effective off-policy RL algorithm that incorporates closed-loop temporal abstraction into the actor-critic framework. TAAC adds a second-stage binary policy to choose between the previous action and a new action output by an actor. Crucially, its "act-or-repeat" decision hinges on the actually sampled action instead of the expected behavior of the actor. This post-acting switching scheme let the overall policy make more informed decisions. TAAC has two important features: a) persistent exploration, and b) a new compare-through Q operator for multi-step TD backup, specially tailored to the action repetition scenario. We demonstrate TAAC's advantages over several strong baselines across 14 continuous control tasks. Our surprising finding reveals that while achieving top performance, TAAC is able to "mine" a significant number of repeated actions with the trained policy even on continuous tasks whose problem structures on the surface seem to repel action repetition. This suggests that aside from encouraging persistent exploration, action repetition can find its place in a good policy behavior. Code is available at https://github.com/hnyu/taac.
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In this paper, we introduce a novel visual representation learning which relies on a handful of adaptively learned tokens, and which is applicable to both image and video understanding tasks. Instead of relying on hand-designed splitting strategies to obtain visual tokens and processing a large number of densely sampled patches for attention, our approach learns to mine important tokens in visual data. This results in efficiently and effectively finding a few important visual tokens and enables modeling of pairwise attention between such tokens, over a longer temporal horizon for videos, or the spatial content in image frames. Our experiments demonstrate strong performance on several challenging benchmarks for video recognition tasks. Importantly, due to our tokens being adaptive, we accomplish competitive results at significantly reduced computational cost. We establish new state-of-the-arts on multiple video datasets, including Kinetics-400, Kinetics-600, Charades, and AViD.
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The problem of (point) forecasting univariate time series is considered. Most approaches, ranging from traditional statistical methods to recent learning-based techniques with neural networks, directly operate on raw time series observations. As an extension, we study whether local topological properties, as captured via persistent homology, can serve as a reliable signal that provides complementary information for learning to forecast. To this end, we propose topological attention, which allows attending to local topological features within a time horizon of historical data. Our approach easily integrates into existing end-to-end trainable forecasting models, such as N-BEATS, and, in combination with the latter exhibits state-of-the-art performance on the large-scale M4 benchmark dataset of 100,000 diverse time series from different domains. Ablation experiments, as well as a comparison to recent techniques in a setting where only a single time series is available for training, corroborate the beneficial nature of including local topological information through an attention mechanism.
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Instance discriminative self-supervised representation learning has been attracted attention thanks to its unsupervised nature and informative feature representation for downstream tasks. In practice, it commonly uses a larger number of negative samples than the number of supervised classes. However, there is an inconsistency in the existing analysis; theoretically, a large number of negative samples degrade classification performance on a downstream supervised task, while empirically, they improve the performance. We provide a novel framework to analyze this empirical result regarding negative samples using the coupon collector's problem. Our bound can implicitly incorporate the supervised loss of the downstream task in the self-supervised loss by increasing the number of negative samples. We confirm that our proposed analysis holds on real-world benchmark datasets.
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Accurate and trustworthy epidemic forecasting is an important problem for public health planning and disease mitigation. Most existing epidemic forecasting models disregard uncertainty quantification, resulting in mis-calibrated predictions. Recent works in deep neural models for uncertainty-aware time-series forecasting also have several limitations; e.g., it is difficult to specify proper priors in Bayesian NNs, while methods like deep ensembling can be computationally expensive. In this paper, we propose to use neural functional processes to fill this gap. We model epidemic time-series with a probabilistic generative process and propose a functional neural process model called EpiFNP, which directly models the probability distribution of the forecast value in a non-parametric way. In EpiFNP, we use a dynamic stochastic correlation graph to model the correlations between sequences, and design different stochastic latent variables to capture functional uncertainty from different perspectives. Our experiments in a real-time flu forecasting setting show that EpiFNP significantly outperforms state-of-the-art models in both accuracy and calibration metrics, up to 2.5x in accuracy and 2.4x in calibration. Additionally, as EpiFNP learns the relations between the current season and similar patterns of historical seasons, it enables interpretable forecasts. Beyond epidemic forecasting, EpiFNP can be of independent interest for advancing uncertainty quantification in …
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Human explanation (e.g., in terms of feature importance) has been recently used to extend the communication channel between human and agent in interactive machine learning. Under this setting, human trainers provide not only the ground truth but also some form of explanation. However, this kind of human guidance was only investigated in supervised learning tasks, and it remains unclear how to best incorporate this type of human knowledge into deep reinforcement learning. In this paper, we present the first study of using human visual explanations in human-in-the-loop reinforcement learning (HIRL). We focus on the task of learning from feedback, in which the human trainer not only gives binary evaluative "good" or "bad" feedback for queried state-action pairs, but also provides a visual explanation by annotating relevant features in images. We propose EXPAND (EXPlanation AugmeNted feeDback) to encourage the model to encode task-relevant features through a context-aware data augmentation that only perturbs irrelevant features in human salient information. We choose five tasks, namely Pixel-Taxi and four Atari games, to evaluate the performance and sample efficiency of this approach. We show that our method significantly outperforms methods leveraging human explanation that are adapted from supervised learning, and Human-in-the-loop RL baselines that only …
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Following their success in natural language processing, transformers have recently shown much promise for computer vision. The self-attention operation underlying transformers yields global interactions between all tokens ,i.e. words or image patches, and enables flexible modelling of image data beyond the local interactions of convolutions. This flexibility, however, comes with a quadratic complexity in time and memory, hindering application to long sequences and high-resolution images. We propose a “transposed” version of self-attention that operates across feature channels rather than tokens, where the interactions are based on the cross-covariance matrix between keys and queries. The resulting cross-covariance attention (XCA) has linear complexity in the number of tokens, and allows efficient processing of high-resolution images.Our cross-covariance image transformer (XCiT) is built upon XCA. It combines the accuracy of conventional transformers with the scalability of convolutional architectures. We validate the effectiveness and generality of XCiT by reporting excellent results on multiple vision benchmarks, including image classification and self-supervised feature learning on ImageNet-1k, object detection and instance segmentation on COCO, and semantic segmentation on ADE20k.We will opensource our code and trained models to reproduce the reported results.


Unstructured pruning reduces the memory footprint in deep neural networks (DNNs). Recently, researchers proposed different types of structural pruning intending to reduce also the computation complexity. In this work, we first suggest a new measure called mask-diversity which correlates with the expected accuracy of the different types of structural pruning. We focus on the recently suggested N:M fine-grained block sparsity mask, in which for each block of M weights, we have at least N zeros. While N:M fine-grained block sparsity allows acceleration in actual modern hardware, it can be used only to accelerate the inference phase. In order to allow for similar accelerations in the training phase, we suggest a novel transposable fine-grained sparsity mask, where the same mask can be used for both forward and backward passes. Our transposable mask guarantees that both the weight matrix and its transpose follow the same sparsity pattern; thus, the matrix multiplication required for passing the error backward can also be accelerated. We formulate the problem of finding the optimal transposable-mask as a minimum-cost flow problem. Additionally, to speed up the minimum-cost flow computation, we also introduce a fast linear-time approximation that can be used when the masks dynamically change during training. Our …


We develop methods for forming prediction sets in an online setting where the data generating distribution is allowed to vary over time in an unknown fashion. Our framework builds on ideas from conformal inference to provide a general wrapper that can be combined with any black box method that produces point predictions of the unseen label or estimated quantiles of its distribution. While previous conformal inference methods rely on the assumption that the data are exchangeable, our adaptive approach provably achieves the desired coverage frequency over long-time intervals irrespective of the true data generating process. We accomplish this by modelling the distribution shift as a learning problem in a single parameter whose optimal value is varying over time and must be continuously re-estimated. We test our method, adaptive conformal inference, on two real world datasets and find that its predictions are robust to visible and significant distribution shifts.

The ensemble method is a promising way to mitigate the overestimation issue in Q-learning, where multiple function approximators are used to estimate the action values. It is known that the estimation bias hinges heavily on the ensemble size (i.e., the number of Q-function approximators used in the target), and that determining the 'right' ensemble size is highly nontrivial, because of the time-varying nature of the function approximation errors during the learning process. To tackle this challenge, we first derive an upper bound and a lower bound on the estimation bias, based on which the ensemble size is adapted to drive the bias to be nearly zero, thereby coping with the impact of the time-varying approximation errors accordingly. Motivated by the theoretic findings, we advocate that the ensemble method can be combined with Model Identification Adaptive Control (MIAC) for effective ensemble size adaptation. Specifically, we devise Adaptive Ensemble Q-learning (AdaEQ), a generalized ensemble method with two key steps: (a) approximation error characterization which serves as the feedback for flexibly controlling the ensemble size, and (b) ensemble size adaptation tailored towards minimizing the estimation bias. Extensive experiments are carried out to show that AdaEQ can improve the learning performance than the existing …

Data deletion algorithms aim to remove the influence of deleted data points from trained models at a cheaper computational cost than fully retraining those models. However, for sequences of deletions, most prior work in the non-convex setting gives valid guarantees only for sequences that are chosen independently of the models that are published. If people choose to delete their data as a function of the published models (because they don’t like what the models reveal about them, for example), then the update sequence is adaptive. In this paper, we give a general reduction from deletion guarantees against adaptive sequences to deletion guarantees against non-adaptive sequences, using differential privacy and its connection to max information. Combined with ideas from prior work which give guarantees for non-adaptive deletion sequences, this leads to extremely flexible algorithms able to handle arbitrary model classes and training methodologies, giving strong provable deletion guarantees for adaptive deletion sequences. We show in theory how prior work for non-convex models fails against adaptive deletion sequences, and use this intuition to design a practical attack against the SISA algorithm of Bourtoule et al. [2021] on CIFAR-10, MNIST, Fashion-MNIST.

Machine learning models trained on uncurated datasets can often end up adversely affecting inputs belonging to underrepresented groups. To address this issue, we consider the problem of adaptively constructing training sets which allow us to learn classifiers that are fair in a {\em minimax} sense. We first propose an adaptive sampling algorithm based on the principle of \emph{optimism}, and derive theoretical bounds on its performance. We also propose heuristic extensions of this algorithm suitable for application to large scale, practical problems. Next, by deriving algorithm independent lower-bounds for a specific class of problems, we show that the performance achieved by our adaptive scheme cannot be improved in general. We then validate the benefits of adaptively constructing training sets via experiments on synthetic tasks with logistic regression classifiers, as well as on several real-world tasks using convolutional neural networks (CNNs).

An increasing body of research focuses on using neural networks to model time series. A common assumption in training neural networks via maximum likelihood estimation on time series is that the errors across time steps are uncorrelated. However, errors are actually autocorrelated in many cases due to the temporality of the data, which makes such maximum likelihood estimations inaccurate. In this paper, in order to adjust for autocorrelated errors, we propose to learn the autocorrelation coefficient jointly with the model parameters. In our experiments, we verify the effectiveness of our approach on time series forecasting. Results across a wide range of real-world datasets with various state-of-the-art models show that our method enhances performance in almost all cases. Based on these results, we suggest empirical critical values to determine the severity of autocorrelated errors. We also analyze several aspects of our method to demonstrate its advantages. Finally, other time series tasks are also considered to validate that our method is not restricted to only forecasting.

As deep neural networks (DNNs) are growing larger, their requirements for computational resources become huge, which makes outsourcing training more popular. Training in a third-party platform, however, may introduce potential risks that a malicious trainer will return backdoored DNNs, which behave normally on clean samples but output targeted misclassifications whenever a trigger appears at the test time. Without any knowledge of the trigger, it is difficult to distinguish or recover benign DNNs from backdoored ones. In this paper, we first identify an unexpected sensitivity of backdoored DNNs, that is, they are much easier to collapse and tend to predict the target label on clean samples when their neurons are adversarially perturbed. Based on these observations, we propose a novel model repairing method, termed Adversarial Neuron Pruning (ANP), which prunes some sensitive neurons to purify the injected backdoor. Experiments show, even with only an extremely small amount of clean data (e.g., 1%), ANP effectively removes the injected backdoor without causing obvious performance degradation.

Many machine learning tasks that involve predicting an output response can be solved by training a weighted regression model. Unfortunately, the predictive power of this type of models may severely deteriorate under low sample sizes or under covariate perturbations. Reweighting the training samples has aroused as an effective mitigation strategy to these problems. In this paper, we propose a novel and coherent scheme for kernel-reweighted regression by reparametrizing the sample weights using a doubly non-negative matrix. When the weighting matrix is confined in an uncertainty set using either the log-determinant divergence or the Bures-Wasserstein distance, we show that the adversarially reweighted estimate can be solved efficiently using first-order methods. Numerical experiments show that our reweighting strategy delivers promising results on numerous datasets.


It is well known that vision classification models suffer from poor calibration in the face of data distribution shifts. In this paper, we take a geometric approach to this problem. We propose Geometric Sensitivity Decomposition (GSD) which decomposes the norm of a sample feature embedding and the angular similarity to a target classifier into an instance-dependent and an instance-independent com-ponent. The instance-dependent component captures the sensitive information about changes in the input while the instance-independent component represents the insensitive information serving solely to minimize the loss on the training dataset. Inspired by the decomposition, we analytically derive a simple extension to current softmax-linear models, which learns to disentangle the two components during training. On several common vision models, the disentangled model out-performs other calibration methods on standard calibration metrics in the face of out-of-distribution (OOD) data and corruption with significantly less complexity. Specifically, we surpass the current state of the art by 30.8% relative improvement on corrupted CIFAR100 in Expected Calibration Error.

Incentivized exploration in multi-armed bandits (MAB) has witnessed increasing interests and many progresses in recent years, where a principal offers bonuses to agents to do explorations on her behalf. However, almost all existing studies are confined to temporary myopic agents. In this work, we break this barrier and study incentivized exploration with multiple and long-term strategic agents, who have more complicated behaviors that often appear in real-world applications. An important observation of this work is that strategic agents' intrinsic needs of learning benefit (instead of harming) the principal's explorations by providing "free pulls". Moreover, it turns out that increasing the population of agents significantly lowers the principal's burden of incentivizing. The key and somewhat surprising insight revealed from our results is that when there are sufficiently many learning agents involved, the exploration process of the principal can be (almost) free. Our main results are built upon three novel components which may be of independent interest: (1) a simple yet provably effective incentive-provision strategy; (2) a carefully crafted best arm identification algorithm for rewards aggregated under unequal confidences; (3) a high-probability finite-time lower bound of UCB algorithms. Experimental results are provided to complement the theoretical analysis.

The Hessian of a neural network captures parameter interactions through second-order derivatives of the loss. It is a fundamental object of study, closely tied to various problems in deep learning, including model design, optimization, and generalization. Most prior work has been empirical, typically focusing on low-rank approximations and heuristics that are blind to the network structure. In contrast, we develop theoretical tools to analyze the range of the Hessian map, which provide us with a precise understanding of its rank deficiency and the structural reasons behind it. This yields exact formulas and tight upper bounds for the Hessian rank of deep linear networks --- allowing for an elegant interpretation in terms of rank deficiency. Moreover, we demonstrate that our bounds remain faithful as an estimate of the numerical Hessian rank, for a larger class of models such as rectified and hyperbolic tangent networks. Further, we also investigate the implications of model architecture (e.g.~width, depth, bias) on the rank deficiency. Overall, our work provides novel insights into the source and extent of redundancy in overparameterized neural networks.

We present a scalable post-processing algorithm for debiasing trained models, including deep neural networks (DNNs), which we prove to be near-optimal by bounding its excess Bayes risk. We empirically validate its advantages on standard benchmark datasets across both classical algorithms as well as modern DNN architectures and demonstrate that it outperforms previous post-processing methods while performing on par with in-processing. In addition, we show that the proposed algorithm is particularly effective for models trained at scale where post-processing is a natural and practical choice.

We investigate a low-rank model of quadratic classification inspired by previous work on factorization machines, polynomial networks, and capsule-based architectures for visual object recognition. The model is parameterized by a pair of affine transformations, and it classifies examples by comparing the magnitudes of vectors that these transformations produce. The model is also over-parameterized in the sense that different pairs of affine transformations can describe classifiers with the same decision boundary and confidence scores. We show that such pairs arise from discrete and continuous symmetries of the model’s parameter space: in particular, the latter define symmetry groups of rotations and Lorentz transformations, and we use these group structures to devise appropriately invariant procedures for model alignment and averaging. We also leverage the form of the model’s decision boundary to derive simple margin-based updates for online learning. Here we explore a strategy of passive-aggressive learning: for each example, we compute the minimum change in parameters that is required to predict its correct label with high confidence. We derive these updates by solving a quadratically constrained quadratic program (QCQP); interestingly, this QCQP is nonconvex but tractable, and it can be solved efficiently by elementary methods. We highlight the conceptual and practical contributions of …


Minimizing a sum of simple submodular functions of limited support is a special case of general submodular function minimization that has seen numerous applications in machine learning. We develop faster techniques for instances where components in the sum are cardinality-based, meaning they depend only on the size of the input set. This variant is one of the most widely applied in practice, encompassing, e.g., common energy functions arising in image segmentation and recent generalized hypergraph cut functions. We develop the first approximation algorithms for this problem, where the approximations can be quickly computed via reduction to a sparse graph cut problem, with graph sparsity controlled by the desired approximation factor. Our method relies on a new connection between sparse graph reduction techniques and piecewise linear approximations to concave functions. Our sparse reduction technique leads to significant improvements in theoretical runtimes, as well as substantial practical gains in problems ranging from benchmark image segmentation tasks to hypergraph clustering problems.

Deep learning (DL) systems have been gaining popularity in critical tasks such as credit evaluation and crime prediction. Such systems demand fairness. Recent work shows that DL software implementations introduce variance: identical DL training runs (i.e., identical network, data, configuration, software, and hardware) with a fixed seed produce different models. Such variance could make DL models and networks violate fairness compliance laws, resulting in negative social impact. In this paper, we conduct the first empirical study to quantify the impact of software implementation on the fairness and its variance of DL systems. Our study of 22 mitigation techniques and five baselines reveals up to 12.6% fairness variance across identical training runs with identical seeds. In addition, most debiasing algorithms have a negative impact on the model such as reducing model accuracy, increasing fairness variance, or increasing accuracy variance. Our literature survey shows that while fairness is gaining popularity in artificial intelligence (AI) related conferences, only 34.4% of the papers use multiple identical training runs to evaluate their approach, raising concerns about their results’ validity. We call for better fairness evaluation and testing protocols to improve fairness and fairness variance of DL systems as well as DL research validity and reproducibility …

Transformer emerges as a powerful tool for visual recognition. In addition to demonstrating competitive performance on a broad range of visual benchmarks, recent works also argue that Transformers are much more robust than Convolutions Neural Networks (CNNs). Nonetheless, surprisingly, we find these conclusions are drawn from unfair experimental settings, where Transformers and CNNs are compared at different scales and are applied with distinct training frameworks. In this paper, we aim to provide the first fair & in-depth comparisons between Transformers and CNNs, focusing on robustness evaluations. With our unified training setup, we first challenge the previous belief that Transformers outshine CNNs when measuring adversarial robustness. More surprisingly, we find CNNs can easily be as robust as Transformers on defending against adversarial attacks, if they properly adopt Transformers' training recipes. While regarding generalization on out-of-distribution samples, we show pre-training on (external) large-scale datasets is not a fundamental request for enabling Transformers to achieve better performance than CNNs. Moreover, our ablations suggest such stronger generalization is largely benefited by the Transformer's self-attention-like architectures per se, rather than by other training setups. We hope this work can help the community better understand and benchmark the robustness of Transformers and CNNs. The code and …

Missing data are prevalent and present daunting challenges in real data analysis. While there is a growing body of literature on fairness in analysis of fully observed data, there has been little theoretical work on investigating fairness in analysis of incomplete data. In practice, a popular analytical approach for dealing with missing data is to use only the set of complete cases, i.e., observations with all features fully observed to train a prediction algorithm. However, depending on the missing data mechanism, the distribution of complete cases and the distribution of the complete data may be substantially different. When the goal is to develop a fair algorithm in the complete data domain where there are no missing values, an algorithm that is fair in the complete case domain may show disproportionate bias towards some marginalized groups in the complete data domain. To fill this significant gap, we study the problem of estimating fairness in the complete data domain for an arbitrary model evaluated merely using complete cases. We provide upper and lower bounds on the fairness estimation error and conduct numerical experiments to assess our theoretical results. Our work provides the first known theoretical results on fairness guarantee in analysis of …

Recent works have suggested that finite Bayesian neural networks may sometimes outperform their infinite cousins because finite networks can flexibly adapt their internal representations. However, our theoretical understanding of how the learned hidden layer representations of finite networks differ from the fixed representations of infinite networks remains incomplete. Perturbative finite-width corrections to the network prior and posterior have been studied, but the asymptotics of learned features have not been fully characterized. Here, we argue that the leading finite-width corrections to the average feature kernels for any Bayesian network with linear readout and Gaussian likelihood have a largely universal form. We illustrate this explicitly for three tractable network architectures: deep linear fully-connected and convolutional networks, and networks with a single nonlinear hidden layer. Our results begin to elucidate how task-relevant learning signals shape the hidden layer representations of wide Bayesian neural networks.
One of the most commonly used methods for forming confidence intervals is the empirical bootstrap, which is especially expedient when the limiting distribution of the estimator is unknown. However, despite its ubiquitous role in machine learning, its theoretical properties are still not well understood. Recent developments in probability have provided new tools to study the bootstrap method. However, they have been applied only to specific applications and contexts, and it is unclear whether these techniques are applicable to the understanding of the consistency of the bootstrap in machine learning pipelines. In this paper, we derive general stability conditions under which the empirical bootstrap estimator is consistent and quantify the speed of convergence. Moreover, we propose alternative ways to use the bootstrap method to build confidence intervals with coverage guarantees. Finally, we illustrate the generality and tightness of our results by examples of interest for machine learning including for two-sample kernel tests after kernel selection and the empirical risk of stacked estimators.


The ability to synthesize realistic and diverse indoor furniture layouts automatically or based on partial input, unlocks many applications, from better interactive 3D tools to data synthesis for training and simulation. In this paper, we present ATISS, a novel autoregressive transformer architecture for creating diverse and plausible synthetic indoor environments, given only the room type and its floor plan. In contrast to prior work, which poses scene synthesis as sequence generation, our model generates rooms as unordered sets of objects. We argue that this formulation is more natural, as it makes ATISS generally useful beyond fully automatic room layout synthesis. For example, the same trained model can be used in interactive applications for general scene completion, partial room re-arrangement with any objects specified by the user, as well as object suggestions for any partial room. To enable this, our model leverages the permutation equivariance of the transformer when conditioning on the partial scene, and is trained to be permutation-invariant across object orderings. Our model is trained end-to-end as an autoregressive generative model using only labeled 3D bounding boxes as supervision. Evaluations on four room types in the 3D-FRONT dataset demonstrate that our model consistently generates plausible room layouts that are …
Neural networks have achieved success in a wide array of perceptual tasks but often fail at tasks involving both perception and higher-level reasoning. On these more challenging tasks, bespoke approaches (such as modular symbolic components, independent dynamics models or semantic parsers) targeted towards that specific type of task have typically performed better. The downside to these targeted approaches, however, is that they can be more brittle than general-purpose neural networks, requiring significant modification or even redesign according to the particular task at hand. Here, we propose a more general neural-network-based approach to dynamic visual reasoning problems that obtains state-of-the-art performance on three different domains, in each case outperforming bespoke modular approaches tailored specifically to the task. Our method relies on learned object-centric representations, self-attention and self-supervised dynamics learning, and all three elements together are required for strong performance to emerge. The success of this combination suggests that there may be no need to trade off flexibility for performance on problems involving spatio-temporal or causal-style reasoning. With the right soft biases and learning objectives in a neural network we may be able to attain the best of both worlds.
We provide a setting and a general approach to fair online learning with stochastic sensitive and non-sensitive contexts.The setting is a repeated game between the Player and Nature, where at each stage both pick actions based on the contexts. Inspired by the notion of unawareness, we assume that the Player can only access the non-sensitive context before making a decision, while we discuss both cases of Nature accessing the sensitive contexts and Nature unaware of the sensitive contexts. Adapting Blackwell's approachability theory to handle the case of an unknown contexts' distribution, we provide a general necessary and sufficient condition for learning objectives to be compatible with some fairness constraints. This condition is instantiated on (group-wise) no-regret and (group-wise) calibration objectives, and on demographic parity as an additional constraint. When the objective is not compatible with the constraint, the provided framework permits to characterise the optimal trade-off between the two.

Existing equivariant neural networks require prior knowledge of the symmetry group and discretization for continuous groups. We propose to work with Lie algebras (infinitesimal generators) instead of Lie groups. Our model, the Lie algebra convolutional network (L-conv) can automatically discover symmetries and does not require discretization of the group. We show that L-conv can serve as a building block to construct any group equivariant feedforward architecture. Both CNNs and Graph Convolutional Networks can be expressed as L-conv with appropriate groups. We discover direct connections between L-conv and physics: (1) group invariant loss generalizes field theory (2) Euler-Lagrange equation measures the robustness, and (3) equivariance leads to conservation laws and Noether current. These connections open up new avenues for designing more general equivariant networks and applying them to important problems in physical sciences.

We extend the options framework for temporal abstraction in reinforcement learning from discounted Markov decision processes (MDPs) to average-reward MDPs. Our contributions include general convergent off-policy inter-option learning algorithms, intra-option algorithms for learning values and models, as well as sample-based planning variants of our learning algorithms. Our algorithms and convergence proofs extend those recently developed by Wan, Naik, and Sutton. We also extend the notion of option-interrupting behaviour from the discounted to the average-reward formulation. We show the efficacy of the proposed algorithms with experiments on a continuing version of the Four-Room domain.

We introduce a novel perspective on Bayesian reinforcement learning (RL); whereas existing approaches infer a posterior over the transition distribution or Q-function, we characterise the uncertainty in the Bellman operator. Our Bayesian Bellman operator (BBO) framework is motivated by the insight that when bootstrapping is introduced, model-free approaches actually infer a posterior over Bellman operators, not value functions. In this paper, we use BBO to provide a rigorous theoretical analysis of model-free Bayesian RL to better understand its relationship to established frequentist RL methodologies. We prove that Bayesian solutions are consistent with frequentist RL solutions, even when approximate inference is used, and derive conditions for which convergence properties hold. Empirically, we demonstrate that algorithms derived from the BBO framework have sophisticated deep exploration properties that enable them to solve continuous control tasks at which state-of-the-art regularised actor-critic algorithms fail catastrophically.

We propose a novel class of graph neural networks based on the discretized Beltrami flow, a non-Euclidean diffusion PDE. In our model, node features are supplemented with positional encodings derived from the graph topology and jointly evolved by the Beltrami flow, producing simultaneously continuous feature learning, topology evolution. The resulting model generalizes many popular graph neural networks and achieves state-of-the-art results on several benchmarks.

The growing literature on "benign overfitting" in overparameterized models has been mostly restricted to regression or binary classification settings; however, most success stories of modern machine learning have been recorded in multiclass settings. Motivated by this discrepancy, we study benign overfitting in multiclass linear classification. Specifically, we consider the following popular training algorithms on separable data: (i) empirical risk minimization (ERM) with cross-entropy loss, which converges to the multiclass support vector machine (SVM) solution; (ii) ERM with least-squares loss, which converges to the min-norm interpolating (MNI) solution; and, (iii) the one-vs-all SVM classifier. Our first key finding is that under a simple sufficient condition, all three algorithms lead to classifiers that interpolate the training data and have equal accuracy. When the data is generated from Gaussian mixtures or a multinomial logistic model, this condition holds under high enough effective overparameterization. Second, we derive novel error bounds on the accuracy of the MNI classifier, thereby showing that all three training algorithms lead to benign overfitting under sufficient overparameterization. Ultimately, our analysis shows that good generalization is possible for SVM solutions beyond the realm in which typical margin-based bounds apply.

Much of the work in online learning focuses on the study of sublinear upper bounds on the regret. In this work, we initiate the study of best-case lower bounds in online convex optimization, wherein we bound the largest \emph{improvement} an algorithm can obtain relative to the single best action in hindsight. This problem is motivated by the goal of better understanding the adaptivity of a learning algorithm. Another motivation comes from fairness: it is known that best-case lower bounds are instrumental in obtaining algorithms for decision-theoretic online learning (DTOL) that satisfy a notion of group fairness. Our contributions are a general method to provide best-case lower bounds in Follow The Regularized Leader (FTRL) algorithms with time-varying regularizers, which we use to show that best-case lower bounds are of the same order as existing upper regret bounds: this includes situations with a fixed learning rate, decreasing learning rates, timeless methods, and adaptive gradient methods. In stark contrast, we show that the linearized version of FTRL can attain negative linear regret. Finally, in DTOL with two experts and binary losses, we fully characterize the best-case sequences, which provides a finer understanding of the best-case lower bounds.


Among the many ways of quantifying uncertainty in a regression setting, specifying the full quantile function is attractive, as quantiles are amenable to interpretation and evaluation. A model that predicts the true conditional quantiles for each input, at all quantile levels, presents a correct and efficient representation of the underlying uncertainty. To achieve this, many current quantile-based methods focus on optimizing the pinball loss. However, this loss restricts the scope of applicable regression models, limits the ability to target many desirable properties (e.g. calibration, sharpness, centered intervals), and may produce poor conditional quantiles. In this work, we develop new quantile methods that address these shortcomings. In particular, we propose methods that can apply to any class of regression model, select an explicit balance between calibration and sharpness, optimize for calibration of centered intervals, and produce more accurate conditional quantiles. We provide a thorough experimental evaluation of our methods, which includes a high dimensional uncertainty quantification task in nuclear fusion.

We study the problem of learning accurate ensemble predictors, in particular boosting, in the presence of multiple source domains. We show that the standard convex combination ensembles in general cannot succeed in this scenario and adopt instead a domain-weighted combination. We introduce and analyze a new boosting algorithm, MULTIBOOST, for this scenario and show that it benefits from favorable theoretical guarantees. We also report the results of several experiments with our algorithm demonstrating that it outperforms natural baselines on multi-source text-based, image-based and tabular data. We further present an extension of our algorithm to the federated learning scenario and report favorable experimental results for that setting as well. Additionally, we describe in detail an extension of our algorithm to the multi-class setting, MCMULTIBOOST, for which we also report experimental results.

Recent studies show that private training data can be leaked through the gradients sharing mechanism deployed in distributed machine learning systems, such as federated learning (FL). Increasing batch size to complicate data recovery is often viewed as a promising defense strategy against data leakage. In this paper, we revisit this defense premise and propose an advanced data leakage attack with theoretical justification to efficiently recover batch data from the shared aggregated gradients. We name our proposed method as catastrophic data leakage in vertical federated learning (CAFE). Comparing to existing data leakage attacks, our extensive experimental results on vertical FL settings demonstrate the effectiveness of CAFE to perform large-batch data leakage attack with improved data recovery quality. We also propose a practical countermeasure to mitigate CAFE. Our results suggest that private data participated in standard FL, especially the vertical case, have a high risk of being leaked from the training gradients. Our analysis implies unprecedented and practical data leakage risks in those learning settings. The code of our work is available at https://github.com/DeRafael/CAFE.

We present a continual learning approach for generative adversarial networks (GANs), by designing and leveraging parameter-efficient feature map transformations. Our approach is based on learning a set of global and task-specific parameters. The global parameters are fixed across tasks whereas the task-specific parameters act as local adapters for each task, and help in efficiently obtaining task-specific feature maps. Moreover, we propose an element-wise addition of residual bias in the transformed feature space, which further helps stabilize GAN training in such settings. Our approach also leverages task similarities based on the Fisher information matrix. Leveraging this knowledge from previous tasks significantly improves the model performance. In addition, the similarity measure also helps reduce the parameter growth in continual adaptation and helps to learn a compact model. In contrast to the recent approaches for continually-learned GANs, the proposed approach provides a memory-efficient way to perform effective continual data generation. Through extensive experiments on challenging and diverse datasets, we show that the feature-map-transformation approach outperforms state-of-the-art methods for continually-learned GANs, with substantially fewer parameters. The proposed method generates high-quality samples that can also improve the generative-replay-based continual learning for discriminative tasks.

In this paper, we answer the question of when inserting label noise (less informative labels) can instead return us more accurate and fair models. We are primarily inspired by three observations: 1) In contrast to reducing label noise rates, increasing the noise rates is easy to implement; 2) Increasing a certain class of instances' label noise to balance the noise rates (increasing-to-balancing) results in an easier learning problem; 3) Increasing-to-balancing improves fairness guarantees against label bias. In this paper, we first quantify the trade-offs introduced by increasing a certain group of instances' label noise rate w.r.t. the loss of label informativeness and the lowered learning difficulties. We analytically demonstrate when such an increase is beneficial, in terms of either improved generalization power or the fairness guarantees. Then we present a method to insert label noise properly for the task of learning with noisy labels, either without or with a fairness constraint. The primary technical challenge we face is due to the fact that we would not know which data instances are suffering from higher noise, and we would not have the ground truth labels to verify any possible hypothesis. We propose a detection method that informs us which group of …

Estimating out-of-distribution (OOD) uncertainty is a major challenge for safely deploying machine learning models in the open-world environment. Improved methods for OOD detection in multi-class classification have emerged, while OOD detection methods for multi-label classification remain underexplored and use rudimentary techniques. We propose JointEnergy, a simple and effective method, which estimates the OOD indicator scores by aggregating label-wise energy scores from multiple labels. We show that JointEnergy can be mathematically interpreted from a joint likelihood perspective. Our results show consistent improvement over previous methods that are based on the maximum-valued scores, which fail to capture joint information from multiple labels. We demonstrate the effectiveness of our method on three common multi-label classification benchmarks, including MS-COCO, PASCAL-VOC, and NUS-WIDE. We show that JointEnergy can reduce the FPR95 by up to 10.05% compared to the previous best baseline, establishing state-of-the-art performance.

We propose a self-supervised capsule architecture for 3D point clouds. We compute capsule decompositions of objects through permutation-equivariant attention, and self-supervise the process by training with pairs of randomly rotated objects. Our key idea is to aggregate the attention masks into semantic keypoints, and use these to supervise a decomposition that satisfies the capsule invariance/equivariance properties. This not only enables the training of a semantically consistent decomposition, but also allows us to learn a canonicalization operation that enables object-centric reasoning. To train our neural network we require neither classification labels nor manually-aligned training datasets. Yet, by learning an object-centric representation in a self-supervised manner, our method outperforms the state-of-the-art on 3D point cloud reconstruction, canonicalization, and unsupervised classification.

Many reinforcement learning (RL) environments consist of independent entities that interact sparsely. In such environments, RL agents have only limited influence over other entities in any particular situation. Our idea in this work is that learning can be efficiently guided by knowing when and what the agent can influence with its actions. To achieve this, we introduce a measure of situation-dependent causal influence based on conditional mutual information and show that it can reliably detect states of influence. We then propose several ways to integrate this measure into RL algorithms to improve exploration and off-policy learning. All modified algorithms show strong increases in data efficiency on robotic manipulation tasks.

Imitation learning enables high-fidelity, vision-based learning of policies within rich, photorealistic environments. However, such techniques often rely on traditional discrete-time neural models and face difficulties in generalizing to domain shifts by failing to account for the causal relationships between the agent and the environment. In this paper, we propose a theoretical and experimental framework for learning causal representations using continuous-time neural networks, specifically over their discrete-time counterparts. We evaluate our method in the context of visual-control learning of drones over a series of complex tasks, ranging from short- and long-term navigation, to chasing static and dynamic objects through photorealistic environments. Our results demonstrate that causal continuous-time deep models can perform robust navigation tasks, where advanced recurrent models fail. These models learn complex causal control representations directly from raw visual inputs and scale to solve a variety of tasks using imitation learning.

Deep Metric Learning (DML) aims to find representations suitable for zero-shot transfer to a priori unknown test distributions. However, common evaluation protocols only test a single, fixed data split in which train and test classes are assigned randomly. More realistic evaluations should consider a broad spectrum of distribution shifts with potentially varying degree and difficulty.In this work, we systematically construct train-test splits of increasing difficulty and present the ooDML benchmark to characterize generalization under out-of-distribution shifts in DML. ooDML is designed to probe the generalization performance on much more challenging, diverse train-to-test distribution shifts. Based on our new benchmark, we conduct a thorough empirical analysis of state-of-the-art DML methods. We find that while generalization tends to consistently degrade with difficulty, some methods are better at retaining performance as the distribution shift increases. Finally, we propose few-shot DML as an efficient way to consistently improve generalization in response to unknown test shifts presented in ooDML.

Fairwashing refers to the risk that an unfair black-box model can be explained by a fairer model through post-hoc explanation manipulation. In this paper, we investigate the capability of fairwashing attacks by analyzing their fidelity-unfairness trade-offs. In particular, we show that fairwashed explanation models can generalize beyond the suing group (i.e., data points that are being explained), meaning that a fairwashed explainer can be used to rationalize subsequent unfair decisions of a black-box model. We also demonstrate that fairwashing attacks can transfer across black-box models, meaning that other black-box models can perform fairwashing without explicitly using their predictions. This generalization and transferability of fairwashing attacks imply that their detection will be difficult in practice. Finally, we propose an approach to quantify the risk of fairwashing, which is based on the computation of the range of the unfairness of high-fidelity explainers.


Significant effort has been placed on developing decision support tools to improve patient care. However, drivers of real-world clinical decisions in complex medical scenarios are not yet well-understood, resulting in substantial gaps between these tools and practical applications. In light of this, we highlight that more attention on understanding clinical decision-making is required both to elucidate current clinical practices and to enable effective human-machine interactions. This is imperative in high-stakes scenarios with scarce available resources. Using organ transplantation as a case study, we formalize the desiderata of methods for understanding clinical decision-making. We show that most existing machine learning methods are insufficient to meet these requirements and propose iTransplant, a novel data-driven framework to learn the factors affecting decisions on organ offers in an instance-wise fashion directly from clinical data, as a possible solution. Through experiments on real-world liver transplantation data from OPTN, we demonstrate the use of iTransplant to: (1) discover which criteria are most important to clinicians for organ offer acceptance; (2) identify patient-specific organ preferences of clinicians allowing automatic patient stratification; and (3) explore variations in transplantation practices between different transplant centers. Finally, we emphasize that the insights gained by iTransplant can be used to inform the …

Text-to-Image generation in the general domain has long been an open problem, which requires both a powerful generative model and cross-modal understanding. We propose CogView, a 4-billion-parameter Transformer with VQ-VAE tokenizer to advance this problem. We also demonstrate the finetuning strategies for various downstream tasks, e.g. style learning, super-resolution, text-image ranking and fashion design, and methods to stabilize pretraining, e.g. eliminating NaN losses. CogView achieves the state-of-the-art FID on the blurred MS COCO dataset, outperforming previous GAN-based models and a recent similar work DALL-E.

Collaborating with humans requires rapidly adapting to their individual strengths, weaknesses, and preferences. Unfortunately, most standard multi-agent reinforcement learning techniques, such as self-play (SP) or population play (PP), produce agents that overfit to their training partners and do not generalize well to humans. Alternatively, researchers can collect human data, train a human model using behavioral cloning, and then use that model to train "human-aware" agents ("behavioral cloning play", or BCP). While such an approach can improve the generalization of agents to new human co-players, it involves the onerous and expensive step of collecting large amounts of human data first. Here, we study the problem of how to train agents that collaborate well with human partners without using human data. We argue that the crux of the problem is to produce a diverse set of training partners. Drawing inspiration from successful multi-agent approaches in competitive domains, we find that a surprisingly simple approach is highly effective. We train our agent partner as the best response to a population of self-play agents and their past checkpoints taken throughout training, a method we call Fictitious Co-Play (FCP). Our experiments focus on a two-player collaborative cooking simulator that has recently been proposed as a …

An increasingly common use case for machine learning models is augmenting the abilities of human decision makers. For classification tasks where neither the human nor model are perfectly accurate, a key step in obtaining high performance is combining their individual predictions in a manner that leverages their relative strengths. In this work, we develop a set of algorithms that combine the probabilistic output of a model with the class-level output of a human. We show theoretically that the accuracy of our combination model is driven not only by the individual human and model accuracies, but also by the model's confidence. Empirical results on image classification with CIFAR-10 and a subset of ImageNet demonstrate that such human-model combinations consistently have higher accuracies than the model or human alone, and that the parameters of the combination method can be estimated effectively with as few as ten labeled datapoints.

We introduce the GANformer2 model, an iterative object-oriented transformer, explored for the task of generative modeling. The network incorporates strong and explicit structural priors, to reflect the compositional nature of visual scenes, and synthesizes images through a sequential process. It operates in two stages: a fast and lightweight planning phase, where we draft a high-level scene layout, followed by an attention-based execution phase, where the layout is being refined, evolving into a rich and detailed picture. Our model moves away from conventional black-box GAN architectures that feature a flat and monolithic latent space towards a transparent design that encourages efficiency, controllability and interpretability. We demonstrate GANformer2's strengths and qualities through a careful evaluation over a range of datasets, from multi-object CLEVR scenes to the challenging COCO images, showing it successfully achieves state-of-the-art performance in terms of visual quality, diversity and consistency. Further experiments demonstrate the model's disentanglement and provide a deeper insight into its generative process, as it proceeds step-by-step from a rough initial sketch, to a detailed layout that accounts for objects' depths and dependencies, and up to the final high-resolution depiction of vibrant and intricate real-world scenes. See https://github.com/dorarad/gansformer for model implementation.


Convolutional neural networks (CNNs) are ubiquitous in computer vision, with a myriad of effective and efficient variations. Recently, Transformers -- originally introduced in natural language processing -- have been increasingly adopted in computer vision. While early adopters continued to employ CNN backbones, the latest networks are end-to-end CNN-free Transformer solutions. A recent surprising finding now shows that a simple MLP based solution without any traditional convolutional or Transformer components can produce effective visual representations. While CNNs, Transformers and MLP-Mixers may be considered as completely disparate architectures, we provide a unified view showing that they are in fact special cases of a more general method to aggregate spatial context in a neural network stack. We present the \model (CONText AggregatIon NEtwoRk), a general-purpose building block for multi-head context aggregation that can exploit long-range interactions \emph{a la} Transformers while still exploiting the inductive bias of the local convolution operation leading to faster convergence speeds, often seen in CNNs. Our \model architecture achieves 82.7 \% Top-1 accuracy on ImageNet using 22M parameters, +2.8 improvement compared with DeiT-Small, and can converge to 79.9 \% Top-1 accuracy in just 200 epochs. In contrast to Transformer-based methods that do not scale well to downstream tasks that …


Learning auxiliary tasks, such as multiple predictions about the world, can provide many benefits to reinforcement learning systems. A variety of off-policy learning algorithms have been developed to learn such predictions, but as yet there is little work on how to adapt the behavior to gather useful data for those off-policy predictions. In this work, we investigate a reinforcement learning system designed to learn a collection of auxiliary tasks, with a behavior policy learning to take actions to improve those auxiliary predictions. We highlight the inherent non-stationarity in this continual auxiliary task learning problem, for both prediction learners and the behavior learner. We develop an algorithm based on successor features that facilitates tracking under non-stationary rewards, and prove the separation into learning successor features and rewards provides convergence rate improvements. We conduct an in-depth study into the resulting multi-prediction learning system.

Abstract symbolic reasoning, as required in domains such as mathematics and logic, is a key component of human intelligence. Solvers for these domains have important applications, especially to computer-assisted education. But learning to solve symbolic problems is challenging for machine learning algorithms. Existing models either learn from human solutions or use hand-engineered features, making them expensive to apply in new domains. In this paper, we instead consider symbolic domains as simple environments where states and actions are given as unstructured text, and binary rewards indicate whether a problem is solved. This flexible setup makes it easy to specify new domains, but search and planning become challenging. We introduce five environments inspired by the Mathematics Common Core Curriculum, and observe that existing Reinforcement Learning baselines perform poorly. We then present a novel learning algorithm, Contrastive Policy Learning (ConPoLe) that explicitly optimizes the InfoNCE loss, which lower bounds the mutual information between the current state and next states that continue on a path to the solution. ConPoLe successfully solves all four domains. Moreover, problem representations learned by ConPoLe enable accurate prediction of the categories of problems in a real mathematics curriculum. Our results suggest new directions for reinforcement learning in symbolic domains, …

Controllable generation is one of the key requirements for successful adoption of deep generative models in real-world applications, but it still remains as a great challenge. In particular, the compositional ability to generate novel concept combinations is out of reach for most current models. In this work, we use energy-based models (EBMs) to handle compositional generation over a set of attributes. To make them scalable to high-resolution image generation, we introduce an EBM in the latent space of a pre-trained generative model such as StyleGAN. We propose a novel EBM formulation representing the joint distribution of data and attributes together, and we show how sampling from it is formulated as solving an ordinary differential equation (ODE). Given a pre-trained generator, all we need for controllable generation is to train an attribute classifier. Sampling with ODEs is done efficiently in the latent space and is robust to hyperparameters. Thus, our method is simple, fast to train, and efficient to sample. Experimental results show that our method outperforms the state-of-the-art in both conditional sampling and sequential editing. In compositional generation, our method excels at zero-shot generation of unseen attribute combinations. Also, by composing energy functions with logical operators, this work is the …



Conditional generative models of high-dimensional images have many applications, but supervision signals from conditions to images can be expensive to acquire. This paper describes Diffusion-Decoding models with Contrastive representations (D2C), a paradigm for training unconditional variational autoencoders (VAE) for few-shot conditional image generation. D2C uses a learned diffusion-based prior over the latent representations to improve generation and contrastive self-supervised learning to improve representation quality. D2C can adapt to novel generation tasks, conditioned on labels or manipulation constraints, by learning from as few as 100 labeled examples. On conditional generation from new labels, D2C achieves superior performance over state-of-the-art VAEs and diffusion models. On conditional image manipulation, D2C generations are two orders of magnitude faster to produce over StyleGAN2 ones and are preferred by 50% - 60% of the human evaluators in a double-blind study. We release our code at https://github.com/jiamings/d2c.

We consider a novel data driven approach for designing semi-supervised learning algorithms that can effectively learn with only a small number of labeled examples. We focus on graph-based techniques, where the unlabeled examples are connected in a graph under the implicit assumption that similar nodes likely have similar labels. Over the past two decades, several elegant graph-based semi-supervised learning algorithms for inferring the labels of the unlabeled examples given the graph and a few labeled examples have been proposed. However, the problem of how to create the graph (which impacts the practical usefulness of these methods significantly) has been relegated to heuristics and domain-specific art, and no general principles have been proposed. In this work we present a novel data driven approach for learning the graph and provide strong formal guarantees in both the distributional and online learning formalizations. We show how to leverage problem instances coming from an underlying problem domain to learn the graph hyperparameters for commonly used parametric families of graphs that provably perform well on new instances from the same domain. We obtain low regret and efficient algorithms in the online setting, and generalization guarantees in the distributional setting. We also show how to combine several …

Machine learning models have been criticized for reflecting unfair biases in the training data. Instead of solving for this by introducing fair learning algorithms directly, we focus on generating fair synthetic data, such that any downstream learner is fair. Generating fair synthetic data from unfair data - while remaining truthful to the underlying data-generating process (DGP) - is non-trivial. In this paper, we introduce DECAF: a GAN-based fair synthetic data generator for tabular data. With DECAF we embed the DGP explicitly as a structural causal model in the input layers of the generator, allowing each variable to be reconstructed conditioned on its causal parents. This procedure enables inference time debiasing, where biased edges can be strategically removed for satisfying user-defined fairness requirements. The DECAF framework is versatile and compatible with several popular definitions of fairness. In our experiments, we show that DECAF successfully removes undesired bias and - in contrast to existing methods - is capable of generating high-quality synthetic data. Furthermore, we provide theoretical guarantees on the generator's convergence and the fairness of downstream models.

We introduce a framework that abstracts Reinforcement Learning (RL) as a sequence modeling problem. This allows us to draw upon the simplicity and scalability of the Transformer architecture, and associated advances in language modeling such as GPT-x and BERT. In particular, we present Decision Transformer, an architecture that casts the problem of RL as conditional sequence modeling. Unlike prior approaches to RL that fit value functions or compute policy gradients, Decision Transformer simply outputs the optimal actions by leveraging a causally masked Transformer. By conditioning an autoregressive model on the desired return (reward), past states, and actions, our Decision Transformer model can generate future actions that achieve the desired return. Despite its simplicity, Decision Transformer matches or exceeds the performance of state-of-the-art model-free offline RL baselines on Atari, OpenAI Gym, and Key-to-Door tasks.

Cryptic crosswords, the dominant crossword variety in the UK, are a promising target for advancing NLP systems that seek to process semantically complex, highly compositional language. Cryptic clues read like fluent natural language but are adversarially composed of two parts: a definition and a wordplay cipher requiring character-level manipulations. Expert humans use creative intelligence to solve cryptics, flexibly combining linguistic, world, and domain knowledge. In this paper, we make two main contributions. First, we present a dataset of cryptic clues as a challenging new benchmark for NLP systems that seek to process compositional language in more creative, human-like ways. After showing that three non-neural approaches and T5, a state-of-the-art neural language model, do not achieve good performance, we make our second main contribution: a novel curriculum approach, in which the model is first fine-tuned on related tasks such as unscrambling words. We also introduce a challenging data split, examine the meta-linguistic capabilities of subword-tokenized models, and investigate model systematicity by perturbing the wordplay part of clues, showing that T5 exhibits behavior partially consistent with human solving strategies. Although our curricular approach considerably improves on the T5 baseline, our best-performing model still fails to generalize to the extent that humans can. …

Many complex time series can be effectively subdivided into distinct regimes that exhibit persistent dynamics. Discovering the switching behavior and the statistical patterns in these regimes is important for understanding the underlying dynamical system. We propose the Recurrent Explicit Duration Switching Dynamical System (RED-SDS), a flexible model that is capable of identifying both state- and time-dependent switching dynamics. State-dependent switching is enabled by a recurrent state-to-switch connection and an explicit duration count variable is used to improve the time-dependent switching behavior. We demonstrate how to perform efficient inference using a hybrid algorithm that approximates the posterior of the continuous states via an inference network and performs exact inference for the discrete switches and counts. The model is trained by maximizing a Monte Carlo lower bound of the marginal log-likelihood that can be computed efficiently as a byproduct of the inference routine. Empirical results on multiple datasets demonstrate that RED-SDS achieves considerable improvement in time series segmentation and competitive forecasting performance against the state of the art.

Recent success in deep learning has partially been driven by training increasingly overparametrized networks on ever larger datasets. It is therefore natural to ask: how much of the data is superfluous, which examples are important for generalization, and how do we find them? In this work, we make the striking observation that, in standard vision datasets, simple scores averaged over several weight initializations can be used to identify important examples very early in training. We propose two such scores—the Gradient Normed (GraNd) and the Error L2-Norm (EL2N) scores—and demonstrate their efficacy on a range of architectures and datasets by pruning significant fractions of training data without sacrificing test accuracy. In fact, using EL2N scores calculated a few epochs into training, we can prune half of the CIFAR10 training set while slightly improving test accuracy. Furthermore, for a given dataset, EL2N scores from one architecture or hyperparameter configuration generalize to other configurations. Compared to recent work that prunes data by discarding examples that are rarely forgotten over the course of training, our scores use only local information early in training. We also use our scores to detect noisy examples and study training dynamics through the lens of important examples—we investigate how …

The Randomized Response (RR) algorithm is a classical technique to improve robustness in survey aggregation, and has been widely adopted in applications with differential privacy guarantees. We propose a novel algorithm, Randomized Response with Prior (RRWithPrior), which can provide more accurate results while maintaining the same level of privacy guaranteed by RR. We then apply RRWithPrior to learn neural networks with label differential privacy (LabelDP), and show that when only the label needs to be protected, the model performance can be significantly improved over the previous state-of-the-art private baselines. Moreover, we study different ways to obtain priors, which when used with RRWithPrior can additionally improve the model performance, further reducing the accuracy gap between private and non-private models. We complement the empirical results with theoretical analysis showing that LabelDP is provably easier than protecting both the inputs and labels.

Data with low-dimensional nonlinear structure are ubiquitous in engineering and scientific problems. We study a model problem with such structure---a binary classification task that uses a deep fully-connected neural network to classify data drawn from two disjoint smooth curves on the unit sphere. Aside from mild regularity conditions, we place no restrictions on the configuration of the curves. We prove that when (i) the network depth is large relative to certain geometric properties that set the difficulty of the problem and (ii) the network width and number of samples is polynomial in the depth, randomly-initialized gradient descent quickly learns to correctly classify all points on the two curves with high probability. To our knowledge, this is the first generalization guarantee for deep networks with nonlinear data that depends only on intrinsic data properties. Our analysis proceeds by a reduction to dynamics in the neural tangent kernel (NTK) regime, where the network depth plays the role of a fitting resource in solving the classification problem. In particular, via fine-grained control of the decay properties of the NTK, we demonstrate that when the network is sufficiently deep, the NTK can be locally approximated by a translationally invariant operator on the manifolds and …

This paper presents a new end-to-end semi-supervised framework to learn a dense keypoint detector using unlabeled multiview images. A key challenge lies in finding the exact correspondences between the dense keypoints in multiple views since the inverse of the keypoint mapping can be neither analytically derived nor differentiated. This limits applying existing multiview supervision approaches used to learn sparse keypoints that rely on the exact correspondences. To address this challenge, we derive a new probabilistic epipolar constraint that encodes the two desired properties. (1) Soft correspondence: we define a matchability, which measures a likelihood of a point matching to the other image’s corresponding point, thus relaxing the requirement of the exact correspondences. (2) Geometric consistency: every point in the continuous correspondence fields must satisfy the multiview consistency collectively. We formulate a probabilistic epipolar constraint using a weighted average of epipolar errors through the matchability thereby generalizing the point-to-point geometric error to the field-to-field geometric error. This generalization facilitates learning a geometrically coherent dense keypoint detection model by utilizing a large number of unlabeled multiview images. Additionally, to prevent degenerative cases, we employ a distillation-based regularization by using a pretrained model. Finally, we design a new neural network architecture, made of …

We detail a novel class of implicit neural models. Leveraging time-parallel methods for differential equations, Multiple Shooting Layers (MSLs) seek solutions of initial value problems via parallelizable root-finding algorithms. MSLs broadly serve as drop-in replacements for neural ordinary differential equations (Neural ODEs) with improved efficiency in number of function evaluations (NFEs) and wall-clock inference time. We develop the algorithmic framework of MSLs, analyzing the different choices of solution methods from a theoretical and computational perspective. MSLs are showcased in long horizon optimal control of ODEs and PDEs and as latent models for sequence generation. Finally, we investigate the speedups obtained through application of MSL inference in neural controlled differential equations (Neural CDEs) for time series classification of medical data.

Differential Privacy (DP) is an important privacy-enhancing technology for private machine learning systems. It allows to measure and bound the risk associated with an individual participation in a computation. However, it was recently observed that DP learning systems may exacerbate bias and unfairness for different groups of individuals. This paper builds on these important observations and sheds light on the causes of the disparate impacts arising in the problem of differentially private empirical risk minimization. It focuses on the accuracy disparity arising among groups of individuals in two well-studied DP learning methods: output perturbation and differentially private stochastic gradient descent. The paper analyzes which data and model properties are responsible for the disproportionate impacts, why these aspects are affecting different groups disproportionately, and proposes guidelines to mitigate these effects. The proposed approach is evaluated on several datasets and settings.




What is the information leakage of an iterative randomized learning algorithm about its training data, when the internal state of the algorithm is \emph{private}? How much is the contribution of each specific training epoch to the information leakage through the released model? We study this problem for noisy gradient descent algorithms, and model the \emph{dynamics} of R\'enyi differential privacy loss throughout the training process. Our analysis traces a provably \emph{tight} bound on the R\'enyi divergence between the pair of probability distributions over parameters of models trained on neighboring datasets. We prove that the privacy loss converges exponentially fast, for smooth and strongly convex loss functions, which is a significant improvement over composition theorems (which over-estimate the privacy loss by upper-bounding its total value over all intermediate gradient computations). For Lipschitz, smooth, and strongly convex loss functions, we prove optimal utility with a small gradient complexity for noisy gradient descent algorithms.

Deep neural networks (DNNs) have proven to be powerful predictors and are widely used for various tasks. Credible uncertainty estimation of their predictions, however, is crucial for their deployment in many risk-sensitive applications. In this paper we present a novel and simple attack, which unlike adversarial attacks, does not cause incorrect predictions but instead cripples the network's capacity for uncertainty estimation. The result is that after the attack, the DNN is more confident of its incorrect predictions than about its correct ones without having its accuracy reduced. We present two versions of the attack. The first scenario focuses on a black-box regime (where the attacker has no knowledge of the target network) and the second scenario attacks a white-box setting. The proposed attack is only required to be of minuscule magnitude for its perturbations to cause severe uncertainty estimation damage, with larger magnitudes resulting in completely unusable uncertainty estimations.We demonstrate successful attacks on three of the most popular uncertainty estimation methods: the vanilla softmax score, Deep Ensembles and MC-Dropout. Additionally, we show an attack on SelectiveNet, the selective classification architecture. We test the proposed attack on several contemporary architectures such as MobileNetV2 and EfficientNetB0, all trained to classify ImageNet.
Motivated by distributed machine learning settings such as Federated Learning, we consider the problem of fitting a statistical model across a distributed collection of heterogeneous data sets whose similarity structure is encoded by a graph topology. Precisely, we analyse the case where each node is associated with fitting a sparse linear model, and edges join two nodes if the difference of their solutions is also sparse. We propose a method based on Basis Pursuit Denoising with a total variation penalty, and provide finite sample guarantees for sub-Gaussian design matrices. Taking the root of the tree as a reference node, we show that if the sparsity of the differences across nodes is smaller than the sparsity at the root, then recovery is successful with fewer samples than by solving the problems independently, or by using methods that rely on a large overlap in the signal supports, such as the group Lasso. We consider both the noiseless and noisy setting, and numerically investigate the performance of distributed methods based on Distributed Alternating Direction Methods of Multipliers (ADMM) and hyperspectral unmixing.
We study efficient distributed algorithms for the fundamental problem of principal component analysis and leading eigenvector computation on the sphere, when the data are randomly distributed among a set of computational nodes. We propose a new quantized variant of Riemannian gradient descent to solve this problem, and prove that the algorithm converges with high probability under a set of necessary spherical-convexity properties. We give bounds on the number of bits transmitted by the algorithm under common initialization schemes, and investigate the dependency on the problem dimension in each case.


Although machine learning models trained on massive data have led to breakthroughs in several areas, their deployment in privacy-sensitive domains remains limited due to restricted access to data. Generative models trained with privacy constraints on private data can sidestep this challenge, providing indirect access to private data instead. We propose DP-Sinkhorn, a novel optimal transport-based generative method for learning data distributions from private data with differential privacy. DP-Sinkhorn minimizes the Sinkhorn divergence, a computationally efficient approximation to the exact optimal transport distance, between the model and data in a differentially private manner and uses a novel technique for controlling the bias-variance trade-off of gradient estimates. Unlike existing approaches for training differentially private generative models, which are mostly based on generative adversarial networks, we do not rely on adversarial objectives, which are notoriously difficult to optimize, especially in the presence of noise imposed by privacy constraints. Hence, DP-Sinkhorn is easy to train and deploy. Experimentally, we improve upon the state-of-the-art on multiple image modeling benchmarks and show differentially private synthesis of informative RGB images.

We consider the estimation of treatment effects in settings when multiple treatments are assigned over time and treatments can have a causal effect on future outcomes. We propose an extension of the double/debiased machine learning framework to estimate the dynamic effects of treatments and apply it to a concrete linear Markovian high-dimensional state space model and to general structural nested mean models. Our method allows the use of arbitrary machine learning methods to control for the high dimensional state, subject to a mean square error guarantee, while still allowing parametric estimation and construction of confidence intervals for the dynamic treatment effect parameters of interest. Our method is based on a sequential regression peeling process, which we show can be equivalently interpreted as a Neyman orthogonal moment estimator. This allows us to show root-n asymptotic normality of the estimated causal effects.

The policy gradient theorem states that the policy should only be updated in states that are visited by the current policy, which leads to insufficient planning in the off-policy states, and thus to convergence to suboptimal policies. We tackle this planning issue by extending the policy gradient theory to policy updates with respect to any state density. Under these generalized policy updates, we show convergence to optimality under a necessary and sufficient condition on the updates’ state densities, and thereby solve the aforementioned planning issue. We also prove asymptotic convergence rates that significantly improve those in the policy gradient literature. To implement the principles prescribed by our theory, we propose an agent, Dr Jekyll & Mr Hyde (J&H), with a double personality: Dr Jekyll purely exploits while Mr Hyde purely explores. J&H’s independent policies allow to record two separate replay buffers: one on-policy (Dr Jekyll’s) and one off-policy (Mr Hyde’s), and therefore to update J&H’s models with a mixture of on-policy and off-policy updates. More than an algorithm, J&H defines principles for actor-critic algorithms to satisfy the requirements we identify in our analysis. We extensively test on finite MDPs where J&H demonstrates a superior ability to recover from converging to …

In this work, we consider the problem of sequence-to-sequence alignment for signals containing outliers. Assuming the absence of outliers, the standard Dynamic Time Warping (DTW) algorithm efficiently computes the optimal alignment between two (generally) variable-length sequences. While DTW is robust to temporal shifts and dilations of the signal, it fails to align sequences in a meaningful way in the presence of outliers that can be arbitrarily interspersed in the sequences. To address this problem, we introduce Drop-DTW, a novel algorithm that aligns the common signal between the sequences while automatically dropping the outlier elements from the matching. The entire procedure is implemented as a single dynamic program that is efficient and fully differentiable. In our experiments, we show that Drop-DTW is a robust similarity measure for sequence retrieval and demonstrate its effectiveness as a training loss on diverse applications. With Drop-DTW, we address temporal step localization on instructional videos, representation learning from noisy videos, and cross-modal representation learning for audio-visual retrieval and localization. In all applications, we take a weakly- or unsupervised approach and demonstrate state-of-the-art results under these settings.

Generative adversarial networks (GANs) have recently found applications in image editing. However, most GAN-based image editing methods often require large-scale datasets with semantic segmentation annotations for training, only provide high-level control, or merely interpolate between different images. Here, we propose EditGAN, a novel method for high-quality, high-precision semantic image editing, allowing users to edit images by modifying their highly detailed part segmentation masks, e.g., drawing a new mask for the headlight of a car. EditGAN builds on a GAN framework that jointly models images and their semantic segmentation, requiring only a handful of labeled examples – making it a scalable tool for editing. Specifically, we embed an image into the GAN’s latent space and perform conditional latent code optimization according to the segmentation edit, which effectively also modifies the image. To amortize optimization, we find “editing vectors” in latent space that realize the edits. The framework allows us to learn an arbitrary number of editing vectors, which can then be directly applied on other images at interactive rates. We experimentally show that EditGAN can manipulate images with an unprecedented level of detail and freedom while preserving full image quality. We can also easily combine multiple edits and perform plausible edits …

Factorized models, such as two tower neural network models, are widely used for scoring (query, document) pairs in information retrieval tasks. These models are typically trained by optimizing the model parameters to score relevant positive" pairs higher than the irrelevant
negative" ones. While a large set of negatives typically improves the model performance, limited computation and memory budgets place constraints on the number of negatives used during training. In this paper, we develop a novel negative sampling technique for accelerating training with softmax cross-entropy loss. By using cached (possibly stale) item embeddings, our technique enables training with a large pool of negatives with reduced memory and computation. We also develop a streaming variant of our algorithm geared towards very large datasets. Furthermore, we establish a theoretical basis for our approach by showing that updating a very small fraction of the cache at each iteration can still ensure fast convergence. Finally, we experimentally validate our approach and show that it is efficient and compares favorably with more complex, state-of-the-art approaches.

A common pain point in differentially private machine learning is the significant runtime overhead incurred when executing Differentially Private Stochastic Gradient Descent (DPSGD), which may be as large as two orders of magnitude. We thoroughly demonstrate that by exploiting powerful language primitives, including vectorization, just-in-time compilation, and static graph optimization, one can dramatically reduce these overheads, in many cases nearly matching the best non-private running times. These gains are realized in two frameworks: one is JAX, which provides rich support for these primitives through the XLA compiler. We also rebuild core parts of TensorFlow Privacy, integrating more effective vectorization as well as XLA compilation, granting significant memory and runtime improvements over previous release versions. Our proposed approaches allow us to achieve up to 50x speedups compared to the best alternatives. Our code is available at https://github.com/TheSalon/fast-dpsgd.

In many machine learning tasks, models are trained to predict structure data such as graphs. For example, in natural language processing, it is very common to parse texts into dependency trees or abstract meaning representation (AMR) graphs. On the other hand, ensemble methods combine predictions from multiple models to create a new one that is more robust and accurate than individual predictions. In the literature, there are many ensembling techniques proposed for classification or regression problems, however, ensemble graph prediction has not been studied thoroughly. In this work, we formalize this problem as mining the largest graph that is the most supported by a collection of graph predictions. As the problem is NP-Hard, we propose an efficient heuristic algorithm to approximate the optimal solution. To validate our approach, we carried out experiments in AMR parsing problems. The experimental results demonstrate that the proposed approach can combine the strength of state-of-the-art AMR parsers to create new predictions that are more accurate than any individual models in five standard benchmark datasets.

In two-player zero-sum extensive-form games, Nash equilibrium prescribes optimal strategies against perfectly rational opponents. However, it does not guarantee rational play in parts of the game tree that can only be reached by the players making mistakes. This can be problematic when operationalizing equilibria in the real world among imperfect players. Trembling-hand refinements are a sound remedy to this issue, and are subsets of Nash equilibria that are designed to handle the possibility that any of the players may make mistakes. In this paper, we initiate the study of equilibrium refinements for settings where one of the players is perfectly rational (the ``machine'') and the other may make mistakes. As we show, this endeavor has many pitfalls: many intuitively appealing approaches to refinement fail in various ways. On the positive side, we introduce a modification of the classical quasi-perfect equilibrium (QPE) refinement, which we call the one-sided quasi-perfect equilibrium. Unlike QPE, one-sided QPE only accounts for mistakes from one player and assumes that no mistakes will be made by the machine. We present experiments on standard benchmark games and an endgame from the famous man-machine match where the AI Libratus was the first to beat top human specialist professionals in …

Policy makers often need to estimate the long-term effects of novel treatments, while only having historical data of older treatment options. We propose a surrogate-based approach using a long-term dataset where only past treatments were administered and a short-term dataset where novel treatments have been administered. Our approach generalizes previous surrogate-style methods, allowing for continuous treatments and serially-correlated treatment policies while maintaining consistency and root-n asymptotically normal estimates under a Markovian assumption on the data and the observational policy. Using a semi-synthetic dataset on customer incentives from a major corporation, we evaluate the performance of our method and discuss solutions to practical challenges when deploying our methodology.

Gradient inversion attack (or input recovery from gradient) is an emerging threat to the security and privacy preservation of Federated learning, whereby malicious eavesdroppers or participants in the protocol can recover (partially) the clients' private data. This paper evaluates existing attacks and defenses. We find that some attacks make strong assumptions about the setup. Relaxing such assumptions can substantially weaken these attacks. We then evaluate the benefits of three proposed defense mechanisms against gradient inversion attacks. We show the trade-offs of privacy leakage and data utility of these defense methods, and find that combining them in an appropriate manner makes the attack less effective, even under the original strong assumptions. We also estimate the computation cost of end-to-end recovery of a single image under each evaluated defense. Our findings suggest that the state-of-the-art attacks can currently be defended against with minor data utility loss, as summarized in a list of potential strategies.

Deep reinforcement learning has generated superhuman AI in competitive games such as Go and StarCraft. Can similar learning techniques create a superior AI teammate for human-machine collaborative games? Will humans prefer AI teammates that improve objective team performance or those that improve subjective metrics of trust? In this study, we perform a single-blind evaluation of teams of humans and AI agents in the cooperative card game Hanabi, with both rule-based and learning-based agents. In addition to the game score, used as an objective metric of the human-AI team performance, we also quantify subjective measures of the human's perceived performance, teamwork, interpretability, trust, and overall preference of AI teammate. We find that humans have a clear preference toward a rule-based AI teammate (SmartBot) over a state-of-the-art learning-based AI teammate (Other-Play) across nearly all subjective metrics, and generally view the learning-based agent negatively, despite no statistical difference in the game score. This result has implications for future AI design and reinforcement learning benchmarking, highlighting the need to incorporate subjective metrics of human-AI teaming rather than a singular focus on objective task performance.

Medial entorhinal cortex (MEC) supports a wide range of navigational and memory related behaviors.Well-known experimental results have revealed specialized cell types in MEC --- e.g. grid, border, and head-direction cells --- whose highly stereotypical response profiles are suggestive of the role they might play in supporting MEC functionality. However, the majority of MEC neurons do not exhibit stereotypical firing patterns.How should the response profiles of these more "heterogeneous" cells be described, and how do they contribute to behavior?In this work, we took a computational approach to addressing these questions.We first performed a statistical analysis that shows that heterogeneous MEC cells are just as reliable in their response patterns as the more stereotypical cell types, suggesting that they have a coherent functional role.Next, we evaluated a spectrum of candidate models in terms of their ability to describe the response profiles of both stereotypical and heterogeneous MEC cells.We found that recently developed task-optimized neural network models are substantially better than traditional grid cell-centric models at matching most MEC neuronal response profiles --- including those of grid cells themselves --- despite not being explicitly trained for this purpose.Specific choices of network architecture (such as gated nonlinearities and an explicit intermediate place cell representation) …


Recently, game-playing agents based on AI techniques have demonstrated super-human performance in several sequential games, such as chess, Go, and poker. Surprisingly, the multi-agent learning techniques that allowed to reach these achievements do not take into account the actual behavior of the human player, potentially leading to an impressive gap in performances. In this paper, we address the problem of designing artificial agents that learn how to effectively exploit unknown human opponents while playing repeatedly against them in an online fashion. We study the case in which the agent's strategy during each repetition of the game is subject to constraints ensuring that the human's expected utility is within some lower and upper thresholds. Our framework encompasses several real-world problems, such as human engagement in repeated game playing and human education by means of serious games. As a first result, we formalize a set of linear inequalities encoding the conditions that the agent's strategy must satisfy at each iteration in order to do not violate the given bounds for the human's expected utility. Then, we use such formulation in an upper confidence bound algorithm, and we prove that the resulting procedure suffers from sublinear regret and guarantees that the constraints are …

The audio-visual video parsing task aims to temporally parse a video into audio or visual event categories. However, it is labor intensive to temporally annotate audio and visual events and thus hampers the learning of a parsing model. To this end, we propose to explore additional cross-video and cross-modality supervisory signals to facilitate weakly-supervised audio-visual video parsing. The proposed method exploits both the common and diverse event semantics across videos to identify audio or visual events. In addition, our method explores event co-occurrence across audio, visual, and audio-visual streams. We leverage the explored cross-modality co-occurrence to localize segments of target events while excluding irrelevant ones. The discovered supervisory signals across different videos and modalities can greatly facilitate the training with only video-level annotations. Quantitative and qualitative results demonstrate that the proposed method performs favorably against existing methods on weakly-supervised audio-visual video parsing.

Multi-agent behavior modeling and trajectory forecasting are crucial for the safe navigation of autonomous agents in interactive scenarios. Variational Autoencoder (VAE) has been widely applied in multi-agent interaction modeling to generate diverse behavior and learn a low-dimensional representation for interacting systems. However, existing literature did not formally discuss if a VAE-based model can properly encode interaction into its latent space. In this work, we argue that one of the typical formulations of VAEs in multi-agent modeling suffers from an issue we refer to as social posterior collapse, i.e., the model is prone to ignoring historical social context when predicting the future trajectory of an agent. It could cause significant prediction errors and poor generalization performance. We analyze the reason behind this under-explored phenomenon and propose several measures to tackle it. Afterward, we implement the proposed framework and experiment on real-world datasets for multi-agent trajectory prediction. In particular, we propose a novel sparse graph attention message-passing (sparse-GAMP) layer, which helps us detect social posterior collapse in our experiments. In the experiments, we verify that social posterior collapse indeed occurs. Also, the proposed measures are effective in alleviating the issue. As a result, the model attains better generalization performance when historical social …

The incorporation of appropriate inductive bias plays a critical role in learning dynamics from data. A growing body of work has been exploring ways to enforce energy conservation in the learned dynamics by encoding Lagrangian or Hamiltonian dynamics into the neural network architecture. These existing approaches are based on differential equations, which do not allow discontinuity in the states and thereby limit the class of systems one can learn. However, in reality, most physical systems, such as legged robots and robotic manipulators, involve contacts and collisions, which introduce discontinuities in the states. In this paper, we introduce a differentiable contact model, which can capture contact mechanics: frictionless/frictional, as well as elastic/inelastic. This model can also accommodate inequality constraints, such as limits on the joint angles. The proposed contact model extends the scope of Lagrangian and Hamiltonian neural networks by allowing simultaneous learning of contact and system properties. We demonstrate this framework on a series of challenging 2D and 3D physical systems with different coefficients of restitution and friction. The learned dynamics can be used as a differentiable physics simulator for downstream gradient-based optimization tasks, such as planning and control.


Clustering is a fundamental unsupervised learning problem where a dataset is partitioned into clusters that consist of nearby points in a metric space. A recent variant, fair clustering, associates a color with each point representing its group membership and requires that each color has (approximately) equal representation in each cluster to satisfy group fairness. In this model, the cost of the clustering objective increases due to enforcing fairness in the algorithm. The relative increase in the cost, the ```````''price of fairness,'' can indeed be unbounded. Therefore, in this paper we propose to treat an upper bound on the clustering objective as a constraint on the clustering problem, and to maximize equality of representation subject to it. We consider two fairness objectives: the group utilitarian objective and the group egalitarian objective, as well as the group leximin objective which generalizes the group egalitarian objective. We derive fundamental lower bounds on the approximation of the utilitarian and egalitarian objectives and introduce algorithms with provable guarantees for them. For the leximin objective we introduce an effective heuristic algorithm. We further derive impossibility results for other natural fairness objectives. We conclude with experimental results on real-world datasets that demonstrate the validity of our algorithms.

We study a fair resource scheduling problem, where a set of interval jobs are to be allocated to heterogeneous machines controlled by intellectual agents.Each job is associated with release time, deadline, and processing time such that it can be processed if its complete processing period is between its release time and deadline. The machines gain possibly different utilities by processing different jobs, and all jobs assigned to the same machine should be processed without overlap.We consider two widely studied solution concepts, namely, maximin share fairness and envy-freeness.For both criteria, we discuss the extent to which fair allocations exist and present constant approximation algorithms for various settings.


In this paper, we study the problem of fair sparse regression on a biased dataset where bias depends upon a hidden binary attribute. The presence of a hidden attribute adds an extra layer of complexity to the problem by combining sparse regression and clustering with unknown binary labels. The corresponding optimization problem is combinatorial, but we propose a novel relaxation of it as an invex optimization problem. To the best of our knowledge, this is the first invex relaxation for a combinatorial problem. We show that the inclusion of the debiasing/fairness constraint in our model has no adverse effect on the performance. Rather, it enables the recovery of the hidden attribute. The support of our recovered regression parameter vector matches exactly with the true parameter vector. Moreover, we simultaneously solve the clustering problem by recovering the exact value of the hidden attribute for each sample. Our method uses carefully constructed primal dual witnesses to provide theoretical guarantees for the combinatorial problem. To that end, we show that the sample complexity of our method is logarithmic in terms of the dimension of the regression parameter vector.

Differentially Private-SGD (DP-SGD) of Abadi et al. and its variations are the only known algorithms for private training of large scale neural networks. This algorithm requires computation of per-sample gradients norms which is extremely slow and memory intensive in practice. In this paper, we present a new framework to design differentially private optimizers called DP-SGD-JL and DP-Adam-JL. Our approach uses Johnson–Lindenstrauss (JL) projections to quickly approximate the per-sample gradient norms without exactly computing them, thus making the training time and memory requirements of our optimizers closer to that of their non-DP versions. Unlike previous attempts to make DP-SGD faster which work only on a subset of network architectures or use compiler techniques, we propose an algorithmic solution which works for any network in a black-box manner which is the main contribution of this paper. To illustrate this, on IMDb dataset, we train a Recurrent Neural Network (RNN) to achieve good privacy-vs-accuracy tradeoff, while being significantly faster than DP-SGD and with a similar memory footprint as non-private SGD.

We consider proximal splitting algorithms for convex optimization problems over matrices. A significant computational bottleneck in many of these algorithms is the need to compute a full eigenvalue or singular value decomposition at each iteration for the evaluation of a proximal operator.In this paper we propose to use an old and surprisingly simple method due to Jacobi to compute these eigenvalue and singular value decompositions, and we demonstrate that it can lead to substantial gains in terms of computation time compared to standard approaches. We rely on three essential properties of this method: (a) its ability to exploit an approximate decomposition as an initial point, which in the case of iterative optimization algorithms can be obtained from the previous iterate; (b) its parallel nature which makes it a great fit for hardware accelerators such as GPUs, now common in machine learning, and (c) its simple termination criterion which allows us to trade-off accuracy with computation time. We demonstrate the efficacy of this approach on a variety of algorithms and problems, and show that, on a GPU, we can obtain 5 to 10x speed-ups in the evaluation of proximal operators compared to standard CPU or GPU linear algebra routines. Our findings …

Extreme multi-label text classification~(XMC) seeks to find relevant labels from an extreme large label collection for a given text input. Many real-world applications can be formulated as XMC problems, such as recommendation systems, document tagging and semantic search. Recently, transformer based XMC methods, such as X-Transformer and LightXML, have shown significant improvement over other XMC methods. Despite leveraging pre-trained transformer models for text representation, the fine-tuning procedure of transformer models on large label space still has lengthy computational time even with powerful GPUs. In this paper, we propose a novel recursive approach, XR-Transformer to accelerate the procedure through recursively fine-tuning transformer models on a series of multi-resolution objectives related to the original XMC objective function. Empirical results show that XR-Transformer takes significantly less training time compared to other transformer-based XMC models while yielding better state-of-the-art results. In particular, on the public Amazon-3M dataset with 3 million labels, XR-Transformer is not only 20x faster than X-Transformer but also improves the Precision@1 from 51% to 54%.

The Expectation Maximization (EM) algorithm is the default algorithm for inference in latent variable models. As in any other field of machine learning, applications of latent variable models to very large datasets make the use of advanced parallel and distributed architecture mandatory. This paper introduces FedEM, which is the first extension of the EM algorithm to the federated learning context. FedEM is a new communication efficient method, which handles partial participation of local devices, and is robust to heterogeneous distribution of the datasets. To alleviate the communication bottleneck, FedEM compresses appropriately defined complete data sufficient statistics. We also develop and analyze an extension of FedEM to further incorporate a variance reduction scheme. In all cases, we derive finite-time complexity bounds for smooth non-convex problems. Numerical results are presented to support our theoretical findings, as well as an application to federated missing values imputation for biodiversity monitoring.

Federated learning has emerged as an important paradigm for training machine learning models in different domains. For graph-level tasks such as graph classification, graphs can also be regarded as a special type of data samples, which can be collected and stored in separate local systems. Similar to other domains, multiple local systems, each holding a small set of graphs, may benefit from collaboratively training a powerful graph mining model, such as the popular graph neural networks (GNNs). To provide more motivation towards such endeavors, we analyze real-world graphs from different domains to confirm that they indeed share certain graph properties that are statistically significant compared with random graphs. However, we also find that different sets of graphs, even from the same domain or same dataset, are non-IID regarding both graph structures and node features. To handle this, we propose a graph clustered federated learning (GCFL) framework that dynamically finds clusters of local systems based on the gradients of GNNs, and theoretically justify that such clusters can reduce the structure and feature heterogeneity among graphs owned by the local systems. Moreover, we observe the gradients of GNNs to be rather fluctuating in GCFL which impedes high-quality clustering, and design a gradient …

Tuning hyperparameters is a crucial but arduous part of the machine learning pipeline. Hyperparameter optimization is even more challenging in federated learning, where models are learned over a distributed network of heterogeneous devices; here, the need to keep data on device and perform local training makes it difficult to efficiently train and evaluate configurations. In this work, we investigate the problem of federated hyperparameter tuning. We first identify key challenges and show how standard approaches may be adapted to form baselines for the federated setting. Then, by making a novel connection to the neural architecture search technique of weight-sharing, we introduce a new method, FedEx, to accelerate federated hyperparameter tuning that is applicable to widely-used federated optimization methods such as FedAvg and recent variants. Theoretically, we show that a FedEx variant correctly tunes the on-device learning rate in the setting of online convex optimization across devices. Empirically, we show that FedEx can outperform natural baselines for federated hyperparameter tuning by several percentage points on the Shakespeare, FEMNIST, and CIFAR-10 benchmarks—obtaining higher accuracy using the same training budget.

Personalization methods in federated learning aim to balance the benefits of federated and local training for data availability, communication cost, and robustness to client heterogeneity. Approaches that require clients to communicate all model parameters can be undesirable due to privacy and communication constraints. Other approaches require always-available or stateful clients, impractical in large-scale cross-device settings. We introduce Federated Reconstruction, the first model-agnostic framework for partially local federated learning suitable for training and inference at scale. We motivate the framework via a connection to model-agnostic meta learning, empirically demonstrate its performance over existing approaches for collaborative filtering and next word prediction, and release an open-source library for evaluating approaches in this setting. We also describe the successful deployment of this approach at scale for federated collaborative filtering in a mobile keyboard application.

Machine-learning systems such as self-driving cars or virtual assistants are composed of a large number of machine-learning models that recognize image content, transcribe speech, analyze natural language, infer preferences, rank options, etc. Models in these systems are often developed and trained independently, which raises an obvious concern: Can improving a machine-learning model make the overall system worse? We answer this question affirmatively by showing that improving a model can deteriorate the performance of downstream models, even after those downstream models are retrained. Such self-defeating improvements are the result of entanglement between the models in the system. We perform an error decomposition of systems with multiple machine-learning models, which sheds light on the types of errors that can lead to self-defeating improvements. We also present the results of experiments which show that self-defeating improvements emerge in a realistic stereo-based detection system for cars and pedestrians.

Federated Learning (FL) has been gaining significant traction across different ML tasks, ranging from vision to keyboard predictions. In large-scale deployments, client heterogeneity is a fact and constitutes a primary problem for fairness, training performance and accuracy. Although significant efforts have been made into tackling statistical data heterogeneity, the diversity in the processing capabilities and network bandwidth of clients, termed system heterogeneity, has remained largely unexplored. Current solutions either disregard a large portion of available devices or set a uniform limit on the model's capacity, restricted by the least capable participants.In this work, we introduce Ordered Dropout, a mechanism that achieves an ordered, nested representation of knowledge in Neural Networks and enables the extraction of lower footprint submodels without the need for retraining. We further show that for linear maps our Ordered Dropout is equivalent to SVD. We employ this technique, along with a self-distillation methodology, in the realm of FL in a framework called FjORD. FjORD alleviates the problem of client system heterogeneity by tailoring the model width to the client's capabilities. Extensive evaluation on both CNNs and RNNs across diverse modalities shows that FjORD consistently leads to significant performance gains over state-of-the-art baselines while maintaining its nested structure.

Few-shot NLP research is highly active, yet conducted in disjoint research threads with evaluation suites that lack challenging-yet-realistic testing setups and fail to employ careful experimental design. Consequently, the community does not know which techniques perform best or even if they outperform simple baselines. In response, we formulate the FLEX Principles, a set of requirements and best practices for unified, rigorous, valid, and cost-sensitive few-shot NLP evaluation. These principles include Sample Size Design, a novel approach to benchmark design that optimizes statistical accuracy and precision while keeping evaluation costs manageable. Following the principles, we release the FLEX benchmark, which includes four few-shot transfer settings, zero-shot evaluation, and a public leaderboard that covers diverse NLP tasks. In addition, we present UniFew, a prompt-based model for few-shot learning that unifies pretraining and finetuning prompt formats, eschewing complex machinery of recent prompt-based approaches in adapting downstream task formats to language model pretraining objectives. We demonstrate that despite simplicity, UniFew achieves results competitive with both popular meta-learning and prompt-based approaches.

Building on the interpretation of a recurrent neural network (RNN) as a continuous-time neural differential equation, we show, under appropriate conditions, that the solution of a RNN can be viewed as a linear function of a specific feature set of the input sequence, known as the signature. This connection allows us to frame a RNN as a kernel method in a suitable reproducing kernel Hilbert space. As a consequence, we obtain theoretical guarantees on generalization and stability for a large class of recurrent networks. Our results are illustrated on simulated datasets.

Bayesian inference in the space of functions has been an important topic for Bayesian modeling in the past. In this paper, we propose a new solution to this problem called Functional Variational Inference (FVI). In FVI, we minimize a divergence in function space between the variational distribution and the posterior process. This is done by using as functional variational family a new class of flexible distributions called Stochastic Process Generators (SPGs), which are cleverly designed so that the functional ELBO can be estimated efficiently using analytic solutions and mini-batch sampling. FVI can be applied to stochastic process priors when random function samples from those priors are available. Our experiments show that FVI consistently outperforms weight-space and function space VI methods on several tasks, which validates the effectiveness of our approach.

Invariance under symmetry is an important problem in machine learning. Our paper looks specifically at equivariant neural networks where transformations of inputs yield homomorphic transformations of outputs. Here, steerable CNNs have emerged as the standard solution. An inherent problem of steerable representations is that general nonlinear layers break equivariance, thus restricting architectural choices. Our paper applies harmonic distortion analysis to illuminate the effect of nonlinearities on Fourier representations of SO(2). We develop a novel FFT-based algorithm for computing representations of non-linearly transformed activations while maintaining band-limitation. It yields exact equivariance for polynomial (approximations of) nonlinearities, as well as approximate solutions with tunable accuracy for general functions. We apply the approach to build a fully E(3)-equivariant network for sampled 3D surface data. In experiments with 2D and 3D data, we obtain results that compare favorably to the state-of-the-art in terms of accuracy while permitting continuous symmetry and exact equivariance.

Advances in unsupervised learning of object-representations have culminated in the development of a broad range of methods for unsupervised object segmentation and interpretable object-centric scene generation. These methods, however, are limited to simulated and real-world datasets with limited visual complexity. Moreover, object representations are often inferred using RNNs which do not scale well to large images or iterative refinement which avoids imposing an unnatural ordering on objects in an image but requires the a priori initialisation of a fixed number of object representations. In contrast to established paradigms, this work proposes an embedding-based approach in which embeddings of pixels are clustered in a differentiable fashion using a stochastic stick-breaking process. Similar to iterative refinement, this clustering procedure also leads to randomly ordered object representations, but without the need of initialising a fixed number of clusters a priori. This is used to develop a new model, GENESIS-v2, which can infer a variable number of object representations without using RNNs or iterative refinement. We show that GENESIS-v2 performs strongly in comparison to recent baselines in terms of unsupervised image segmentation and object-centric scene generation on established synthetic datasets as well as more complex real-world datasets.

Recently, there emerges a series of vision Transformers, which show superior performance with a more compact model size than conventional convolutional neural networks, thanks to the strong ability of Transformers to model long-range dependencies. However, the advantages of vision Transformers also come with a price: Self-attention, the core part of Transformer, has a quadratic complexity to the input sequence length. This leads to a dramatic increase of computation and memory cost with the increase of sequence length, thus introducing difficulties when applying Transformers to the vision tasks that require dense predictions based on high-resolution feature maps.In this paper, we propose a new vision Transformer, named Glance-and-Gaze Transformer (GG-Transformer), to address the aforementioned issues. It is motivated by the Glance and Gaze behavior of human beings when recognizing objects in natural scenes, with the ability to efficiently model both long-range dependencies and local context. In GG-Transformer, the Glance and Gaze behavior is realized by two parallel branches: The Glance branch is achieved by performing self-attention on the adaptively-dilated partitions of the input, which leads to a linear complexity while still enjoying a global receptive field; The Gaze branch is implemented by a simple depth-wise convolutional layer, which compensates local image context …


We identify and formalize a fundamental gradient descent phenomenon resulting in a learning proclivity in over-parameterized neural networks. Gradient Starvation arises when cross-entropy loss is minimized by capturing only a subset of features relevant for the task, despite the presence of other predictive features that fail to be discovered. This work provides a theoretical explanation for the emergence of such feature imbalance in neural networks. Using tools from Dynamical Systems theory, we identify simple properties of learning dynamics during gradient descent that lead to this imbalance, and prove that such a situation can be expected given certain statistical structure in training data. Based on our proposed formalism, we develop guarantees for a novel regularization method aimed at decoupling feature learning dynamics, improving accuracy and robustness in cases hindered by gradient starvation. We illustrate our findings with simple and real-world out-of-distribution (OOD) generalization experiments.

Conditional gradient, aka Frank Wolfe (FW) algorithms, have well-documented merits in machine learning and signal processing applications. Unlike projection-based methods, momentum cannot improve the convergence rate of FW, in general. This limitation motivates the present work, which deals with heavy ball momentum, and its impact to FW. Specifically, it is established that heavy ball offers a unifying perspective on the primal-dual (PD) convergence, and enjoys a tighter \textit{per iteration} PD error rate, for multiple choices of step sizes, where PD error can serve as the stopping criterion in practice. In addition, it is asserted that restart, a scheme typically employed jointly with Nesterov's momentum, can further tighten this PD error bound. Numerical results demonstrate the usefulness of heavy ball momentum in FW iterations.

Hierarchical reinforcement learning (HRL) holds great potential for sample-efficient learning on challenging long-horizon tasks. In particular, letting a higher level assign subgoals to a lower level has been shown to enable fast learning on difficult problems. However, such subgoal-based methods have been designed with static reinforcement learning environments in mind and consequently struggle with dynamic elements beyond the immediate control of the agent even though they are ubiquitous in real-world problems. In this paper, we introduce Hierarchical reinforcement learning with Timed Subgoals (HiTS), an HRL algorithm that enables the agent to adapt its timing to a dynamic environment by not only specifying what goal state is to be reached but also when. We discuss how communicating with a lower level in terms of such timed subgoals results in a more stable learning problem for the higher level. Our experiments on a range of standard benchmarks and three new challenging dynamic reinforcement learning environments show that our method is capable of sample-efficient learning where an existing state-of-the-art subgoal-based HRL method fails to learn stable solutions.
Learning to execute algorithms is a fundamental problem that has been widely studied. Prior work (Veličković et al., 2019) has shown that to enable systematic generalisation on graph algorithms it is critical to have access to the intermediate steps of the program/algorithm. In many reasoning tasks, where algorithmic-style reasoning is important, we only have access to the input and output examples. Thus, inspired by the success of pre-training on similar tasks or data in Natural Language Processing (NLP) and Computer vision, we set out to study how we can transfer algorithmic reasoning knowledge. Specifically, we investigate how we can use algorithms for which we have access to the execution trace to learn to solve similar tasks for which we do not. We investigate two major classes of graph algorithms, parallel algorithms such as breadth-first search and Bellman-Ford and sequential greedy algorithms such as Prims and Dijkstra. Due to the fundamental differences between algorithmic reasoning knowledge and feature extractors such as used in Computer vision or NLP, we hypothesis that standard transfer techniques will not be sufficient to achieve systematic generalisation. To investigate this empirically we create a dataset including 9 algorithms and 3 different graph types. We validate this empirically …

Hyperbolic space has become a popular choice of manifold for representation learning of various datatypes from tree-like structures and text to graphs. Building on the success of deep learning with prototypes in Euclidean and hyperspherical spaces, a few recent works have proposed hyperbolic prototypes for classification. Such approaches enable effective learning in low-dimensional output spaces and can exploit hierarchical relations amongst classes, but require privileged information about class labels to position the hyperbolic prototypes. In this work, we propose Hyperbolic Busemann Learning. The main idea behind our approach is to position prototypes on the ideal boundary of the Poincar\'{e} ball, which does not require prior label knowledge. To be able to compute proximities to ideal prototypes, we introduce the penalised Busemann loss. We provide theory supporting the use of ideal prototypes and the proposed loss by proving its equivalence to logistic regression in the one-dimensional case. Empirically, we show that our approach provides a natural interpretation of classification confidence, while outperforming recent hyperspherical and hyperbolic prototype approaches.

Recent empirical work shows that inconsistent results based on choice of hyperparameter optimization (HPO) configuration are a widespread problem in ML research. When comparing two algorithms J and K searching one subspace can yield the conclusion that J outperforms K, whereas searching another can entail the opposite. In short, the way we choose hyperparameters can deceive us. We provide a theoretical complement to this prior work, arguing that, to avoid such deception, the process of drawing conclusions from HPO should be made more rigorous. We call this process epistemic hyperparameter optimization (EHPO), and put forth a logical framework to capture its semantics and how it can lead to inconsistent conclusions about performance. Our framework enables us to prove EHPO methods that are guaranteed to be defended against deception, given bounded compute time budget t. We demonstrate our framework's utility by proving and empirically validating a defended variant of random search.

Copulas are a powerful tool for modeling multivariate distributions as they allow to separately estimate the univariate marginal distributions and the joint dependency structure. However, known parametric copulas offer limited flexibility especially in high dimensions, while commonly used non-parametric methods suffer from the curse of dimensionality. A popular remedy is to construct a tree-based hierarchy of conditional bivariate copulas.In this paper, we propose a flexible, yet conceptually simple alternative based on implicit generative neural networks.The key challenge is to ensure marginal uniformity of the estimated copula distribution.We achieve this by learning a multivariate latent distribution with unspecified marginals but the desired dependency structure.By applying the probability integral transform, we can then obtain samples from the high-dimensional copula distribution without relying on parametric assumptions or the need to find a suitable tree structure.Experiments on synthetic and real data from finance, physics, and image generation demonstrate the performance of this approach.


We address the problem of sequential prediction with expert advice in a non-stationary environment with long-term memory guarantees in the sense of Bousquet and Warmuth [4]. We give a linear-time algorithm that improves on the best known regret bound [27]. This algorithm incorporates a relative entropy projection step. This projection is advantageous over previous weight-sharing approaches in that weight updates may come with implicit costs as in for example portfolio optimization. We give an algorithm to compute this projection step in linear time, which may be of independent interest.

Although deep feedforward neural networks share some characteristics with the primate visual system, a key distinction is their dynamics. Deep nets typically operate in serial stages wherein each layer completes its computation before processing begins in subsequent layers. In contrast, biological systems have cascaded dynamics: information propagates from neurons at all layers in parallel but transmission occurs gradually over time, leading to speed-accuracy trade offs even in feedforward architectures. We explore the consequences of biologically inspired parallel hardware by constructing cascaded ResNets in which each residual block has propagation delays but all blocks update in parallel in a stateful manner. Because information transmitted through skip connections avoids delays, the functional depth of the architecture increases over time, yielding anytime predictions that improve with internal-processing time. We introduce a temporal-difference training loss that achieves a strictly superior speed-accuracy profile over standard losses and enables the cascaded architecture to outperform state-of-the-art anytime-prediction methods. The cascaded architecture has intriguing properties, including: it classifies typical instances more rapidly than atypical instances; it is more robust to both persistent and transient noise than is a conventional ResNet; and its time-varying output trace provides a signal that can be exploited to improve information processing and inference.

In traditional software programs, it is easy to trace program logic from variables back to input, apply assertion statements to block erroneous behavior, and compose programs together. Although deep learning programs have demonstrated strong performance on novel applications, they sacrifice many of the functionalities of traditional software programs. With this as motivation, we take a modest first step towards improving deep learning programs by jointly training a generative model to constrain neural network activations to "decode" back to inputs. We call this design a Decodable Neural Network, or DecNN. Doing so enables a form of compositionality in neural networks, where one can recursively compose DecNN with itself to create an ensemble-like model with uncertainty. In our experiments, we demonstrate applications of this uncertainty to out-of-distribution detection, adversarial example detection, and calibration --- while matching standard neural networks in accuracy. We further explore this compositionality by combining DecNN with pretrained models, where we show promising results that neural networks can be regularized from using protected features.
We develop a method to generate prediction intervals that have a user-specified coverage level across all regions of feature-space, a property called conditional coverage. A typical approach to this task is to estimate the conditional quantiles with quantile regression---it is well-known that this leads to correct coverage in the large-sample limit, although it may not be accurate in finite samples. We find in experiments that traditional quantile regression can have poor conditional coverage. To remedy this, we modify the loss function to promote independence between the size of the intervals and the indicator of a miscoverage event. For the true conditional quantiles, these two quantities are independent (orthogonal), so the modified loss function continues to be valid. Moreover, we empirically show that the modified loss function leads to improved conditional coverage, as evaluated by several metrics. We also introduce two new metrics that check conditional coverage by looking at the strength of the dependence between the interval size and the indicator of miscoverage.

Generative Adversarial Networks (GANs) can generate near photo realistic images in narrow domains such as human faces. Yet, modeling complex distributions of datasets such as ImageNet and COCO-Stuff remains challenging in unconditional settings. In this paper, we take inspiration from kernel density estimation techniques and introduce a non-parametric approach to modeling distributions of complex datasets. We partition the data manifold into a mixture of overlapping neighborhoods described by a datapoint and its nearest neighbors, and introduce a model, called instance-conditioned GAN (IC-GAN), which learns the distribution around each datapoint. Experimental results on ImageNet and COCO-Stuff show that IC-GAN significantly improves over unconditional models and unsupervised data partitioning baselines. Moreover, we show that IC-GAN can effortlessly transfer to datasets not seen during training by simply changing the conditioning instances, and still generate realistic images. Finally, we extend IC-GAN to the class-conditional case and show semantically controllable generation and competitive quantitative results on ImageNet; while improving over BigGAN on ImageNet-LT. Code and trained models to reproduce the reported results are available at https://github.com/facebookresearch/ic_gan.

Common approaches for task-agnostic exploration learn tabula-rasa --the agent assumes isolated environments and no prior knowledge or experience. However, in the real world, agents learn in many environments and always come with prior experiences as they explore new ones. Exploration is a lifelong process. In this paper, we propose a paradigm change in the formulation and evaluation of task-agnostic exploration. In this setup, the agent first learns to explore across many environments without any extrinsic goal in a task-agnostic manner.Later on, the agent effectively transfers the learned exploration policy to better explore new environments when solving tasks. In this context, we evaluate several baseline exploration strategies and present a simple yet effective approach to learning task-agnostic exploration policies. Our key idea is that there are two components of exploration: (1) an agent-centric component encouraging exploration of unseen parts of the environment based on an agent’s belief; (2) an environment-centric component encouraging exploration of inherently interesting objects. We show that our formulation is effective and provides the most consistent exploration across several training-testing environment pairs. We also introduce benchmarks and metrics for evaluating task-agnostic exploration strategies. The source code is available at https://github.com/sparisi/cbet/.

We study a new family of inverse problems for recovering representations of corrupted data. We assume access to a pre-trained representation learning network R(x) that operates on clean images, like CLIP. The problem is to recover the representation of an image R(x), if we are only given a corrupted version A(x), for some known forward operator A. We propose a supervised inversion method that uses a contrastive objective to obtain excellent representations for highly corrupted images. Using a linear probe on our robust representations, we achieve a higher accuracy than end-to-end supervised baselines when classifying images with various types of distortions, including blurring, additive noise, and random pixel masking. We evaluate on a subset of ImageNet and observe that our method is robust to varying levels of distortion. Our method outperforms end-to-end baselines even with a fraction of the labeled data in a wide range of forward operators.

We study private synthetic data generation for query release, where the goal is to construct a sanitized version of a sensitive dataset, subject to differential privacy, that approximately preserves the answers to a large collection of statistical queries. We first present an algorithmic framework that unifies a long line of iterative algorithms in the literature. Under this framework, we propose two new methods. The first method, private entropy projection (PEP), can be viewed as an advanced variant of MWEM that adaptively reuses past query measurements to boost accuracy. Our second method, generative networks with the exponential mechanism (GEM), circumvents computational bottlenecks in algorithms such as MWEM and PEP by optimizing over generative models parameterized by neural networks, which capture a rich family of distributions while enabling fast gradient-based optimization. We demonstrate that PEP and GEM empirically outperform existing algorithms. Furthermore, we show that GEM nicely incorporates prior information from public data while overcoming limitations of PMW^Pub, the existing state-of-the-art method that also leverages public data.

Partition-based methods are increasingly-used in extreme multi-label classification (XMC) problems due to their scalability to large output spaces (e.g., millions or more). However, existing methods partition the large label space into mutually exclusive clusters, which is sub-optimal when labels have multi-modality and rich semantics. For instance, the label “Apple” can be the fruit or the brand name, which leads to the following research question: can we disentangle these multi-modal labels with non-exclusive clustering tailored for downstream XMC tasks? In this paper, we show that the label assignment problem in partition-based XMC can be formulated as an optimization problem, with the objective of maximizing precision rates. This leads to an efficient algorithm to form flexible and overlapped label clusters, and a method that can alternatively optimizes the cluster assignments and the model parameters for partition-based XMC. Experimental results on synthetic and real datasets show that our method can successfully disentangle multi-modal labels, leading to state-of-the-art (SOTA) results on four XMC benchmarks.

The goal in label-imbalanced and group-sensitive classification is to optimize relevant metrics such as balanced error and equal opportunity. Classical methods, such as weighted cross-entropy, fail when training deep nets to the terminal phase of training (TPT), that is training beyond zero training error. This observation has motivated recent flurry of activity in developing heuristic alternatives following the intuitive mechanism of promoting larger margin for minorities. In contrast to previous heuristics, we follow a principled analysis explaining how different loss adjustments affect margins. First, we prove that for all linear classifiers trained in TPT, it is necessary to introduce multiplicative, rather than additive, logit adjustments so that the interclass margins change appropriately. To show this, we discover a connection of the multiplicative CE modification to the cost-sensitive support-vector machines. Perhaps counterintuitively, we also find that, at the start of training, the same multiplicative weights can actually harm the minority classes. Thus, while additive adjustments are ineffective in the TPT, we show that they can speed up convergence by countering the initial negative effect of the multiplicative weights. Motivated by these findings, we formulate the vector-scaling (VS) loss, that captures existing techniques as special cases. Moreover, we introduce a natural extension …



Regret-based algorithms are highly efficient at finding approximate Nash equilibria in sequential games such as poker games. However, most regret-based algorithms, including counterfactual regret minimization (CFR) and its variants, rely on iterate averaging to achieve convergence. Inspired by recent advances on last-iterate convergence of optimistic algorithms in zero-sum normal-form games, we study this phenomenon in sequential games, and provide a comprehensive study of last-iterate convergence for zero-sum extensive-form games with perfect recall (EFGs), using various optimistic regret-minimization algorithms over treeplexes. This includes algorithms using the vanilla entropy or squared Euclidean norm regularizers, as well as their dilated versions which admit more efficient implementation. In contrast to CFR, we show that all of these algorithms enjoy last-iterate convergence, with some of them even converging exponentially fast. We also provide experiments to further support our theoretical results.

When modeling dynamical systems from real-world data samples, the distribution of data often changes according to the environment in which they are captured, and the dynamics of the system itself vary from one environment to another. Generalizing across environments thus challenges the conventional frameworks. The classical settings suggest either considering data as i.i.d and learning a single model to cover all situations or learning environment-specific models. Both are sub-optimal: the former disregards the discrepancies between environments leading to biased solutions, while the latter does not exploit their potential commonalities and is prone to scarcity problems. We propose LEADS, a novel framework that leverages the commonalities and discrepancies among known environments to improve model generalization. This is achieved with a tailored training formulation aiming at capturing common dynamics within a shared model while additional terms capture environment-specific dynamics. We ground our approach in theory, exhibiting a decrease in sample complexity w.r.t classical alternatives. We show how theory and practice coincides on the simplified case of linear dynamics. Moreover, we instantiate this framework for neural networks and evaluate it experimentally on representative families of nonlinear dynamics. We show that this new setting can exploit knowledge extracted from environment-dependent data and improves generalization …

We study the online problem of minimizing power consumption in systems with multiple power-saving states. During idle periods of unknown lengths, an algorithm has to choose between power-saving states of different energy consumption and wake-up costs. We develop a learning-augmented online algorithm that makes decisions based on (potentially inaccurate) predicted lengths of the idle periods. The algorithm's performance is near-optimal when predictions are accurate and degrades gracefully with increasing prediction error, with a worst-case guarantee almost identical to the optimal classical online algorithm for the problem. A key ingredient in our approach is a new algorithm for the online ski-rental problem in the learning augmented setting with tight dependence on the prediction error. We support our theoretical findings with experiments.

Optimization problems are ubiquitous in our societies and are present in almost every segment of the economy. Most of these optimization problems are NP-hard and computationally demanding, often requiring approximate solutions for large-scale instances. Machine learning frameworks that learn to approximate solutions to such hard optimization problems are a potentially promising avenue to address these difficulties, particularly when many closely related problem instances must be solved repeatedly. Supervised learning frameworks can train a model using the outputs of pre-solved instances. However, when the outputs are themselves approximations, when the optimization problem has symmetric solutions, and/or when the solver uses randomization, solutions to closely related instances may exhibit large differences and the learning task can become inherently more difficult. This paper demonstrates this critical challenge, connects the volatility of the training data to the ability of a model to approximate it, and proposes a method for producing (exact or approximate) solutions to optimization problems that are more amenable to supervised learning tasks. The effectiveness of the method is tested on hard non-linear nonconvex and discrete combinatorial problems.

The Configurable Markov Decision Process framework includes two entities: a Reinforcement Learning agent and a configurator that can modify some environmental parameters to improve the agent's performance. This presupposes that the two actors have the same reward functions. What if the configurator does not have the same intentions as the agent? This paper introduces the Non-Cooperative Configurable Markov Decision Process, a setting that allows having two (possibly different) reward functions for the configurator and the agent. Then, we consider an online learning problem, where the configurator has to find the best among a finite set of possible configurations. We propose two learning algorithms to minimize the configurator's expected regret, which exploits the problem's structure, depending on the agent's feedback. While a naive application of the UCB algorithm yields a regret that grows indefinitely over time, we show that our approach suffers only bounded regret. Furthermore, we empirically show the performance of our algorithm in simulated domains.


A fundamental assumption of reinforcement learning in Markov decision processes (MDPs) is that the relevant decision process is, in fact, Markov. However, when MDPs have rich observations, agents typically learn by way of an abstract state representation, and such representations are not guaranteed to preserve the Markov property. We introduce a novel set of conditions and prove that they are sufficient for learning a Markov abstract state representation. We then describe a practical training procedure that combines inverse model estimation and temporal contrastive learning to learn an abstraction that approximately satisfies these conditions. Our novel training objective is compatible with both online and offline training: it does not require a reward signal, but agents can capitalize on reward information when available. We empirically evaluate our approach on a visual gridworld domain and a set of continuous control benchmarks. Our approach learns representations that capture the underlying structure of the domain and lead to improved sample efficiency over state-of-the-art deep reinforcement learning with visual features---often matching or exceeding the performance achieved with hand-designed compact state information.

Verification is a serious bottleneck in the industrial hardware design cycle, routinely requiring person-years of effort. Practical verification relies on a "best effort" process that simulates the design on test inputs. This suggests a new research question: Can this simulation data be exploited to learn a continuous representation of a hardware design that allows us to predict its functionality? As a first approach to this new problem, we introduce Design2Vec, a deep architecture that learns semantic abstractions of hardware designs. The key idea is to work at a higher level of abstraction than the gate or the bit level, namely the Register Transfer Level (RTL), which is somewhat analogous to software source code, and can be represented by a graph that incorporates control and data flow. This allows us to learn representations of RTL syntax and semantics using a graph neural network. We apply these representations to several tasks within verification, including predicting what cover points of the design will be exercised by a test, and generating new tests that will exercise desired cover points. We evaluate Design2Vec on three real-world hardware designs, including an industrial chip used in commercial data centers. Our results demonstrate that Design2Vec dramatically outperforms baseline …

The task of visual question generation (VQG) aims to generate human-like neural questions from an image and potentially other side information (e.g., answer type or the answer itself). Existing works often suffer from the severe one image to many questions mapping problem, which generates uninformative and non-referential questions. Recent work has demonstrated that by leveraging double visual and answer hints, a model can faithfully generate much better quality questions. However, visual hints are not available naturally. Despite they proposed a simple rule-based similarity matching method to obtain candidate visual hints, they could be very noisy practically and thus restrict the quality of generated questions. In this paper, we present a novel learning approach for double-hints based VQG, which can be cast as a weakly supervised learning problem with noises. The key rationale is that the salient visual regions of interest can be viewed as a constraint to improve the generation procedure for producing high-quality questions. As a result, given the predicted salient visual regions of interest, we can focus on estimating the probability of being ground-truth questions, which in turn implicitly measures the quality of predicted visual hints. Experimental results on two benchmark datasets show that our proposed method outperforms …

Understanding the trustworthiness of a prediction yielded by a classifier is critical for the safe and effective use of AI models. Prior efforts have been proven to be reliable on small-scale datasets. In this work, we study the problem of predicting trustworthiness on real-world large-scale datasets, where the task is more challenging due to high-dimensional features, diverse visual concepts, and a large number of samples. In such a setting, we observe that the trustworthiness predictors trained with prior-art loss functions, i.e., the cross entropy loss, focal loss, and true class probability confidence loss, are prone to view both correct predictions and incorrect predictions to be trustworthy. The reasons are two-fold. Firstly, correct predictions are generally dominant over incorrect predictions. Secondly, due to the data complexity, it is challenging to differentiate the incorrect predictions from the correct ones on real-world large-scale datasets. To improve the generalizability of trustworthiness predictors, we propose a novel steep slope loss to separate the features w.r.t. correct predictions from the ones w.r.t. incorrect predictions by two slide-like curves that oppose each other. The proposed loss is evaluated with two representative deep learning models, i.e., Vision Transformer and ResNet, as trustworthiness predictors. We conduct comprehensive experiments and …

Primal heuristics play a crucial role in exact solvers for Mixed Integer Programming (MIP). While solvers are guaranteed to find optimal solutions given sufficient time, real-world applications typically require finding good solutions early on in the search to enable fast decision-making. While much of MIP research focuses on designing effective heuristics, the question of how to manage multiple MIP heuristics in a solver has not received equal attention. Generally, solvers follow hard-coded rules derived from empirical testing on broad sets of instances. Since the performance of heuristics is problem-dependent, using these general rules for a particular problem might not yield the best performance. In this work, we propose the first data-driven framework for scheduling heuristics in an exact MIP solver. By learning from data describing the performance of primal heuristics, we obtain a problem-specific schedule of heuristics that collectively find many solutions at minimal cost. We formalize the learning task and propose an efficient algorithm for computing such a schedule. Compared to the default settings of a state-of-the-art academic MIP solver, we are able to reduce the average primal integral by up to 49% on two classes of challenging instances.

Current vision systems are trained on huge datasets, and these datasets come with costs: curation is expensive, they inherit human biases, and there are concerns over privacy and usage rights. To counter these costs, interest has surged in learning from cheaper data sources, such as unlabeled images. In this paper we go a step further and ask if we can do away with real image datasets entirely, instead learning from procedural noise processes. We investigate a suite of image generation models that produce images from simple random processes. These are then used as training data for a visual representation learner with a contrastive loss. In particular, we study statistical image models, randomly initialized deep generative models, and procedural graphics models.Our findings show that it is important for the noise to capture certain structural properties of real data but that good performance can be achieved even with processes that are far from realistic. We also find that diversity is a key property to learn good representations.


Inferring representations of 3D scenes from 2D observations is a fundamental problem of computer graphics, computer vision, and artificial intelligence. Emerging 3D-structured neural scene representations are a promising approach to 3D scene understanding. In this work, we propose a novel neural scene representation, Light Field Networks or LFNs, which represent both geometry and appearance of the underlying 3D scene in a 360-degree, four-dimensional light field parameterized via a neural implicit representation. Rendering a ray from an LFN requires only a single network evaluation, as opposed to hundreds of evaluations per ray for ray-marching or volumetric based renderers in 3D-structured neural scene representations. In the setting of simple scenes, we leverage meta-learning to learn a prior over LFNs that enables multi-view consistent light field reconstruction from as little as a single image observation. This results in dramatic reductions in time and memory complexity, and enables real-time rendering. The cost of storing a 360-degree light field via an LFN is two orders of magnitude lower than conventional methods such as the Lumigraph. Utilizing the analytical differentiability of neural implicit representations and a novel parameterization of light space, we further demonstrate the extraction of sparse depth maps from LFNs.


We consider a standard federated learning (FL) setup where a group of clients periodically coordinate with a central server to train a statistical model. We develop a general algorithmic framework called FedLin to tackle some of the key challenges intrinsic to FL, namely objective heterogeneity, systems heterogeneity, and infrequent and imprecise communication. Our framework is motivated by the observation that under these challenges, various existing FL algorithms suffer from a fundamental speed-accuracy conflict: they either guarantee linear convergence but to an incorrect point, or convergence to the global minimum but at a sub-linear rate, i.e., fast convergence comes at the expense of accuracy. In contrast, when the clients' local loss functions are smooth and strongly convex, we show that FedLin guarantees linear convergence to the global minimum, despite arbitrary objective and systems heterogeneity. We then establish matching upper and lower bounds on the convergence rate of FedLin that highlight the effects of infrequent, periodic communication. Finally, we show that FedLin preserves linear convergence rates under aggressive gradient sparsification, and quantify the effect of the compression level on the convergence rate. Notably, our work is the first to provide tight linear convergence rate guarantees, and constitutes the first comprehensive analysis of …









We describe a novel attribution method which is grounded in Sensitivity Analysis and uses Sobol indices. Beyond modeling the individual contributions of image regions, Sobol indices provide an efficient way to capture higher-order interactions between image regions and their contributions to a neural network's prediction through the lens of variance.We describe an approach that makes the computation of these indices efficient for high-dimensional problems by using perturbation masks coupled with efficient estimators to handle the high dimensionality of images.Importantly, we show that the proposed method leads to favorable scores on standard benchmarks for vision (and language models) while drastically reducing the computing time compared to other black-box methods -- even surpassing the accuracy of state-of-the-art white-box methods which require access to internal representations. Our code is freely available:github.com/fel-thomas/Sobol-Attribution-Method.




Given an unnormalized target distribution we want to obtain approximate samples from it and a tight lower bound on its (log) normalization constant log Z. Annealed Importance Sampling (AIS) with Hamiltonian MCMC is a powerful method that can be used to do this. Its main drawback is that it uses non-differentiable transition kernels, which makes tuning its many parameters hard. We propose a framework to use an AIS-like procedure with Uncorrected Hamiltonian MCMC, called Uncorrected Hamiltonian Annealing. Our method leads to tight and differentiable lower bounds on log Z. We show empirically that our method yields better performances than other competing approaches, and that the ability to tune its parameters using reparameterization gradients may lead to large performance improvements.

As humans, we understand events in the visual world contextually, performing multimodal reasoning across time to make inferences about the past, present, and future. We introduce MERLOT, a model that learns multimodal script knowledge by watching millions of YouTube videos with transcribed speech -- in an entirely label-free, self-supervised manner. By pretraining with a mix of both frame-level (spatial) and video-level (temporal) objectives, our model not only learns to match images to temporally corresponding words, but also to contextualize what is happening globally over time. As a result, MERLOT exhibits strong out-of-the-box representations of temporal commonsense, and achieves state-of-the-art performance on 12 different video QA datasets when finetuned. It also transfers well to the world of static images, allowing models to reason about the dynamic context behind visual scenes. On Visual Commonsense Reasoning, MERLOT~answers questions correctly with 80.6\% accuracy, outperforming state-of-the-art models of similar size by over 3\%, even those that make heavy use of auxiliary supervised data (like object bounding boxes).Ablation analyses demonstrate the complementary importance of: 1) training on videos versus static images; 2) scaling the magnitude and diversity of the pretraining video corpus; and 3) using diverse objectives that encourage full-stack multimodal reasoning, from the recognition to …

Quantile (and, more generally, KL) regret bounds, such as those achieved by NormalHedge (Chaudhuri, Freund, and Hsu 2009) and its variants, relax the goal of competing against the best individual expert to only competing against a majority of experts on adversarial data. More recently, the semi-adversarial paradigm (Bilodeau, Negrea, and Roy 2020) provides an alternative relaxation of adversarial online learning by considering data that may be neither fully adversarial nor stochastic (I.I.D.). We achieve the minimax optimal regret in both paradigms using FTRL with separate, novel, root-logarithmic regularizers, both of which can be interpreted as yielding variants of NormalHedge. We extend existing KL regret upper bounds, which hold uniformly over target distributions, to possibly uncountable expert classes with arbitrary priors; provide the first full-information lower bounds for quantile regret on finite expert classes (which are tight); and provide an adaptively minimax optimal algorithm for the semi-adversarial paradigm that adapts to the true, unknown constraint faster, leading to uniformly improved regret bounds over existing methods.


This paper studies offline Imitation Learning (IL) where an agent learns to imitate an expert demonstrator without additional online environment interactions. Instead, the learner is presented with a static offline dataset of state-action-next state triples from a potentially less proficient behavior policy. We introduce Model-based IL from Offline data (MILO): an algorithmic framework that utilizes the static dataset to solve the offline IL problem efficiently both in theory and in practice. In theory, even if the behavior policy is highly sub-optimal compared to the expert, we show that as long as the data from the behavior policy provides sufficient coverage on the expert state-action traces (and with no necessity for a global coverage over the entire state-action space), MILO can provably combat the covariate shift issue in IL. Complementing our theory results, we also demonstrate that a practical implementation of our approach mitigates covariate shift on benchmark MuJoCo continuous control tasks. We demonstrate that with behavior policies whose performances are less than half of that of the expert, MILO still successfully imitates with an extremely low number of expert state-action pairs while traditional offline IL methods such as behavior cloning (BC) fail completely. Source code is provided at https://github.com/jdchang1/milo.




When trained at sufficient scale, auto-regressive language models exhibit the notable ability to learn a new language task after being prompted with just a few examples. Here, we present a simple, yet effective, approach for transferring this few-shot learning ability to a multimodal setting (vision and language). Using aligned image and caption data, we train a vision encoder to represent each image as a sequence of continuous embeddings, such that a pre-trained, frozen language model presented with this prefix generates the appropriate caption. The resulting system is a multimodal few-shot learner, with the surprising ability to learn a variety of new tasks when conditioned on examples, represented as a sequence of any number of interleaved image and text embeddings. We demonstrate that it can rapidly learn words for new objects and novel visual categories, do visual question-answering with only a handful of examples, and make use of outside knowledge, by measuring a single model on a variety of established and new benchmarks.

Proteins are fundamental biological entities mediating key roles in cellular function and disease. This paper introduces a multi-scale graph construction of a protein –HoloProt– connecting surface to structure and sequence. The surface captures coarser details of the protein, while sequence as primary component and structure –comprising secondary and tertiary components– capture finer details. Our graph encoder then learns a multi-scale representation by allowing each level to integrate the encoding from level(s) below with the graph at that level. We test the learned representation on different tasks, (i.) ligand binding affinity (regression), and (ii.) protein function prediction (classification).On the regression task, contrary to previous methods, our model performs consistently and reliably across different dataset splits, outperforming all baselines on most splits. On the classification task, it achieves a performance close to the top-performing model while using 10x fewer parameters. To improve the memory efficiency of our construction, we segment the multiplex protein surface manifold into molecular superpixels and substitute the surface with these superpixels at little to no performance loss.



Implicit planning has emerged as an elegant technique for combining learned models of the world with end-to-end model-free reinforcement learning. We study the class of implicit planners inspired by value iteration, an algorithm that is guaranteed to yield perfect policies in fully-specified tabular environments. We find that prior approaches either assume that the environment is provided in such a tabular form---which is highly restrictive---or infer "local neighbourhoods" of states to run value iteration over---for which we discover an algorithmic bottleneck effect. This effect is caused by explicitly running the planning algorithm based on scalar predictions in every state, which can be harmful to data efficiency if such scalars are improperly predicted. We propose eXecuted Latent Value Iteration Networks (XLVINs), which alleviate the above limitations. Our method performs all planning computations in a high-dimensional latent space, breaking the algorithmic bottleneck. It maintains alignment with value iteration by carefully leveraging neural graph-algorithmic reasoning and contrastive self-supervised learning. Across seven low-data settings---including classical control, navigation and Atari---XLVINs provide significant improvements to data efficiency against value iteration-based implicit planners, as well as relevant model-free baselines. Lastly, we empirically verify that XLVINs can closely align with value iteration.

Bootstrapping has been a primary tool for ensemble and uncertainty quantification in machine learning and statistics. However, due to its nature of multiple training and resampling, bootstrapping deep neural networks is computationally burdensome; hence it has difficulties in practical application to the uncertainty estimation and related tasks. To overcome this computational bottleneck, we propose a novel approach called Neural Bootstrapper (NeuBoots), which learns to generate bootstrapped neural networks through single model training. NeuBoots injects the bootstrap weights into the high-level feature layers of the backbone network and outputs the bootstrapped predictions of the target, without additional parameters and the repetitive computations from scratch. We apply NeuBoots to various machine learning tasks related to uncertainty quantification, including prediction calibrations in image classification and semantic segmentation, active learning, and detection of out-of-distribution samples. Our empirical results show that NeuBoots outperforms other bagging based methods under a much lower computational cost without losing the validity of bootstrapping.

The development of data-dependent heuristics and representations for biological sequences that reflect their evolutionary distance is critical for large-scale biological research. However, popular machine learning approaches, based on continuous Euclidean spaces, have struggled with the discrete combinatorial formulation of the edit distance that models evolution and the hierarchical relationship that characterises real-world datasets. We present Neural Distance Embeddings (NeuroSEED), a general framework to embed sequences in geometric vector spaces, and illustrate the effectiveness of the hyperbolic space that captures the hierarchical structure and provides an average 38% reduction in embedding RMSE against the best competing geometry. The capacity of the framework and the significance of these improvements are then demonstrated devising supervised and unsupervised NeuroSEED approaches to multiple core tasks in bioinformatics. Benchmarked with common baselines, the proposed approaches display significant accuracy and/or runtime improvements on real-world datasets. As an example for hierarchical clustering, the proposed pretrained and from-scratch methods match the quality of competing baselines with 30x and 15x runtime reduction, respectively.

We present a novel neural network Maximum Mean Discrepancy (MMD) statistic by identifying a new connection between neural tangent kernel (NTK) and MMD. This connection enables us to develop a computationally efficient and memory-efficient approach to compute the MMD statistic and perform NTK based two-sample tests towards addressing the long-standing challenge of memory and computational complexity of the MMD statistic, which is essential for online implementation to assimilating new samples. Theoretically, such a connection allows us to understand the NTK test statistic properties, such as the Type-I error and testing power for performing the two-sample test, by adapting existing theories for kernel MMD. Numerical experiments on synthetic and real-world datasets validate the theory and demonstrate the effectiveness of the proposed NTK-MMD statistic.

We present NeuroLKH, a novel algorithm that combines deep learning with the strong traditional heuristic Lin-Kernighan-Helsgaun (LKH) for solving Traveling Salesman Problem. Specifically, we train a Sparse Graph Network (SGN) with supervised learning for edge scores and unsupervised learning for node penalties, both of which are critical for improving the performance of LKH. Based on the output of SGN, NeuroLKH creates the edge candidate set and transforms edge distances to guide the searching process of LKH. Extensive experiments firmly demonstrate that, by training one model on a wide range of problem sizes, NeuroLKH significantly outperforms LKH and generalizes well to much larger sizes. Also, we show that NeuroLKH can be applied to other routing problems such as Capacitated Vehicle Routing Problem (CVRP), Pickup and Delivery Problem (PDP), and CVRP with Time Windows (CVRPTW).

Predicting the most likely route from a source location to a destination is a core functionality in mapping services. Although the problem has been studied in the literature, two key limitations remain to be addressed. First, our study reveals that a significant portion of the routes recommended by existing methods fail to reach the destination. Second, existing techniques are transductive in nature; hence, they fail to recommend routes if unseen roads are encountered at inference time. In this paper, we address these limitations through an inductive algorithm called NeuroMLR. NeuroMLR learns a generative model from historical trajectories by conditioning on three explanatory factors: the current location, the destination, and real-time traffic conditions. The conditional distributions are learned through a novel combination of Lipschitz embedding with Graph Convolutional Networks (GCN) using historical trajectory data. Through in-depth experiments on real-world datasets, we establish that NeuroMLR imparts significant improvement in accuracy over the state of the art. More importantly, NeuroMLR generalizes dramatically better to unseen data and the recommended routes reach the destination with much higher likelihood than existing techniques.

We present a novel neural surface reconstruction method, called NeuS, for reconstructing objects and scenes with high fidelity from 2D image inputs. Existing neural surface reconstruction approaches, such as DVR [Niemeyer et al., 2020] and IDR [Yariv et al., 2020], require foreground mask as supervision, easily get trapped in local minima, and therefore struggle with the reconstruction of objects with severe self-occlusion or thin structures. Meanwhile, recent neural methods for novel view synthesis, such as NeRF [Mildenhall et al., 2020] and its variants, use volume rendering to produce a neural scene representation with robustness of optimization, even for highly complex objects. However, extracting high-quality surfaces from this learned implicit representation is difficult because there are not sufficient surface constraints in the representation. In NeuS, we propose to represent a surface as the zero-level set of a signed distance function (SDF) and develop a new volume rendering method to train a neural SDF representation. We observe that the conventional volume rendering method causes inherent geometric errors (i.e. bias) for surface reconstruction, and therefore propose a new formulation that is free of bias in the first order of approximation, thus leading to more accurate surface reconstruction even without the mask supervision. Experiments …

We derive nearly sharp bounds for the bidirectional GAN (BiGAN) estimation error under the Dudley distance between the latent joint distribution and the data joint distribution with appropriately specified architecture of the neural networks used in the model. To the best of our knowledge, this is the first theoretical guarantee for the bidirectional GAN learning approach. An appealing feature of our results is that they do not assume the reference and the data distributions to have the same dimensions or these distributions to have bounded support. These assumptions are commonly assumed in the existing convergence analysis of the unidirectional GANs but may not be satisfied in practice. Our results are also applicable to the Wasserstein bidirectional GAN if the target distribution is assumed to have a bounded support. To prove these results, we construct neural network functions that push forward an empirical distribution to another arbitrary empirical distribution on a possibly different-dimensional space. We also develop a novel decomposition of the integral probability metric for the error analysis of bidirectional GANs. These basic theoretical results are of independent interest and can be applied to other related learning problems.

We investigate the issue of parameter estimation with nonuniform negative sampling for imbalanced data. We first prove that, with imbalanced data, the available information about unknown parameters is only tied to the relatively small number of positive instances, which justifies the usage of negative sampling. However, if the negative instances are subsampled to the same level of the positive cases, there is information loss. To maintain more information, we derive the asymptotic distribution of a general inverse probability weighted (IPW) estimator and obtain the optimal sampling probability that minimizes its variance. To further improve the estimation efficiency over the IPW method, we propose a likelihood-based estimator by correcting log odds for the sampled data and prove that the improved estimator has the smallest asymptotic variance among a large class of estimators. It is also more robust to pilot misspecification. We validate our approach on simulated data as well as a real click-through rate dataset with more than 0.3 trillion instances, collected over a period of a month. Both theoretical and empirical results demonstrate the effectiveness of our method.

Natural Language Processing (NLP) has recently achieved great success by using huge pre-trained Transformer networks. However, these models often contain hundreds of millions or even billions of parameters, bringing challenges to online deployment due to latency constraints. Recently, hardware manufacturers have introduced dedicated hardware for NxM sparsity to provide the flexibility of unstructured pruning with the runtime efficiency of structured approaches. NxM sparsity permits arbitrarily selecting M parameters to retain from a contiguous group of N in the dense representation. However, due to the extremely high complexity of pre-trained models, the standard sparse fine-tuning techniques often fail to generalize well on downstream tasks, which have limited data resources. To address such an issue in a principled manner, we introduce a new learning framework, called NxMTransformer, to induce NxM semi-structured sparsity on pretrained language models for natural language understanding to obtain better performance. In particular, we propose to formulate the NxM sparsity as a constrained optimization problem and use Alternating Direction Method of Multipliers (ADMM) to optimize the downstream tasks while taking the underlying hardware constraints into consideration. ADMM decomposes the NxM sparsification problem into two sub-problems that can be solved sequentially, generating sparsified Transformer networks that achieve high accuracy while …

Learning object-centric scene representations is essential for attaining structural understanding and abstraction of complex scenes. Yet, as current approaches for unsupervised object-centric representation learning are built upon either a stationary observer assumption or a static scene assumption, they often: i) suffer single-view spatial ambiguities, or ii) infer incorrectly or inaccurately object representations from dynamic scenes. To address this, we propose Dynamics-aware Multi-Object Network (DyMON), a method that broadens the scope of multi-view object-centric representation learning to dynamic scenes. We train DyMON on multi-view-dynamic-scene data and show that DyMON learns---without supervision---to factorize the entangled effects of observer motions and scene object dynamics from a sequence of observations, and constructs scene object spatial representations suitable for rendering at arbitrary times (querying across time) and from arbitrary viewpoints (querying across space). We also show that the factorized scene representations (w.r.t. objects) support querying about a single object by space and time independently.


Federated learning methods typically learn a model by iteratively sampling updates from a population of clients. In this work, we explore how the number of clients sampled at each round (the cohort size) impacts the quality of the learned model and the training dynamics of federated learning algorithms. Our work poses three fundamental questions. First, what challenges arise when trying to scale federated learning to larger cohorts? Second, what parallels exist between cohort sizes in federated learning, and batch sizes in centralized learning? Last, how can we design federated learning methods that effectively utilize larger cohort sizes? We give partial answers to these questions based on extensive empirical evaluation. Our work highlights a number of challenges stemming from the use of larger cohorts. While some of these (such as generalization issues and diminishing returns) are analogs of large-batch training challenges, others (including catastrophic training failures and fairness concerns) are unique to federated learning.

Machine learning models often encounter distribution shifts when deployed in the real world. In this paper, we focus on adaptation to label distribution shift in the online setting, where the test-time label distribution is continually changing and the model must dynamically adapt to it without observing the true label. This setting is common in many real world scenarios such as medical diagnosis, where disease prevalences can vary substantially at different times of the year. Leveraging a novel analysis, we show that the lack of true label does not hinder estimation of the expected test loss, which enables the reduction of online label shift adaptation to conventional online learning. Informed by this observation, we propose adaptation algorithms inspired by classical online learning techniques such as Follow The Leader (FTL) and Online Gradient Descent (OGD) and derive their regret bounds. We empirically verify our findings under both simulated and real world label distribution shifts and show that OGD is particularly effective and robust to a variety of challenging label shift scenarios.

We study online control of time-varying linear systems with unknown dynamics in the nonstochastic control model. At a high level, we demonstrate that this setting is \emph{qualitatively harder} than that of either unknown time-invariant or known time-varying dynamics, and complement our negative results with algorithmic upper bounds in regimes where sublinear regret is possible. More specifically, we study regret bounds with respect to common classes of policies: Disturbance Action (SLS), Disturbance Response (Youla), and linear feedback policies. While these three classes are essentially equivalent for LTI systems, we demonstrate that these equivalences break down for time-varying systems. We prove a lower bound that no algorithm can obtain sublinear regret with respect to the first two classes unless a certain measure of system variability also scales sublinearly in the horizon. Furthermore, we show that offline planning over the state linear feedback policies is NP-hard, suggesting hardness of the online learning problem. On the positive side, we give an efficient algorithm that attains a sublinear regret bound against the class of Disturbance Response policies up to the aforementioned system variability term. In fact, our algorithm enjoys sublinear \emph{adaptive} regret bounds, which is a strictly stronger metric than standard regret and is more …

This article proposes novel rules for false discovery rate control (FDRC) geared towards online anomaly detection in time series. Online FDRC rules allow to control the properties of a sequence of statistical tests. In the context of anomaly detection, the null hypothesis is that an observation is normal and the alternative is that it is anomalous. FDRC rules allow users to target a lower bound on precision in unsupervised settings. The methods proposed in this article overcome short-comings of previous FDRC rules in the context of anomaly detection, in particular ensuring that power remains high even when the alternative is exceedingly rare (typical in anomaly detection) and the test statistics are serially dependent (typical in time series). We show the soundness of these rules in both theory and experiments.

There has been recent interest in using machine-learned predictions to improve the worst-case guarantees of online algorithms. In this paper we continue this line of work by studying the online knapsack problem, but with very weak predictions: in the form of knowing an upper and lower bound for the number of items of each value. We systematically derive online algorithms that attain the best possible competitive ratio for any fixed prediction; we also extend the results to more general settings such as generalized one-way trading and two-stage online knapsack. Our work shows that even seemingly weak predictions can be utilized effectively to provably improve the performance of online algorithms.

Computing market equilibria is a problem of both theoretical and applied interest. Much research to date focuses on the case of static Fisher markets with full information on buyers' utility functions and item supplies. Motivated by real-world markets, we consider an online setting: individuals have linear, additive utility functions; items arrive sequentially and must be allocated and priced irrevocably. We define the notion of an online market equilibrium in such a market as time-indexed allocations and prices which guarantee buyer optimality and market clearance in hindsight. We propose a simple, scalable and interpretable allocation and pricing dynamics termed as PACE. When items are drawn i.i.d. from an unknown distribution (with a possibly continuous support), we show that PACE leads to an online market equilibrium asymptotically. In particular, PACE ensures that buyers' time-averaged utilities converge to the equilibrium utilities w.r.t. a static market with item supplies being the unknown distribution and that buyers' time-averaged expenditures converge to their per-period budget. Hence, many desirable properties of market equilibrium-based fair division such as envy-freeness, Pareto optimality, and the proportional-share guarantee are also attained asymptotically in the online setting. Next, we extend the dynamics to handle quasilinear buyer utilities, which gives the first online …

Detecting out-of-distribution (OOD) data has become a critical component in ensuring the safe deployment of machine learning models in the real world. Existing OOD detection approaches primarily rely on the output or feature space for deriving OOD scores, while largely overlooking information from the gradient space. In this paper, we present GradNorm, a simple and effective approach for detecting OOD inputs by utilizing information extracted from the gradient space. GradNorm directly employs the vector norm of gradients, backpropagated from the KL divergence between the softmax output and a uniform probability distribution. Our key idea is that the magnitude of gradients is higher for in-distribution (ID) data than that for OOD data, making it informative for OOD detection. GradNorm demonstrates superior performance, reducing the average FPR95 by up to 16.33% compared to the previous best method.

One of the central features of modern machine learning models, including deep neural networks, is their generalization ability on structured data in the over-parametrized regime. In this work, we consider an analytically solvable setup to investigate how properties of data impact learning in classification problems, and compare the results obtained for quadratic loss and logistic loss. Using methods from statistical physics, we obtain a precise asymptotic expression for the train and test errors of random feature models trained on a simple model of structured data. The input covariance is built from independent blocks allowing us to tune the saliency of low-dimensional structures and their alignment with respect to the target function.Our results show in particular that in the over-parametrized regime, the impact of data structure on both train and test error curves is greater for logistic loss than for mean-squared loss: the easier the task, the wider the gap in performance between the two losses at the advantage of the logistic. Numerical experiments on MNIST and CIFAR10 confirm our insights.

Out-of-distribution (OOD) detection and lossless compression constitute two problems that can be solved by the training of probabilistic models on a first dataset with subsequent likelihood evaluation on a second dataset, where data distributions differ. By defining the generalization of probabilistic models in terms of likelihood we show that, in the case of image models, the OOD generalization ability is dominated by local features. This motivates our proposal of a Local Autoregressive model that exclusively models local image features towards improving OOD performance. We apply the proposed model to OOD detection tasks and achieve state-of-the-art unsupervised OOD detection performance without the introduction of additional data. Additionally, we employ our model to build a new lossless image compressor: NeLLoC (Neural Local Lossless Compressor) and report state-of-the-art compression rates and model size.

Many supervised learning problems involve high-dimensional data such as images, text, or graphs. In order to make efficient use of data, it is often useful to leverage certain geometric priors in the problem at hand, such as invariance to translations, permutation subgroups, or stability to small deformations. We study the sample complexity of learning problems where the target function presents such invariance and stability properties, by considering spherical harmonic decompositions of such functions on the sphere. We provide non-parametric rates of convergence for kernel methods, and show improvements in sample complexity by a factor equal to the size of the group when using an invariant kernel over the group, compared to the corresponding non-invariant kernel. These improvements are valid when the sample size is large enough, with an asymptotic behavior that depends on spectral properties of the group. Finally, these gains are extended beyond invariance groups to also cover geometric stability to small deformations, modeled here as subsets (not necessarily subgroups) of permutations.


We study a theory of reinforcement learning (RL) in which the learner receives binary feedback only once at the end of an episode. While this is an extreme test case for theory, it is also arguably more representative of real-world applications than the traditional requirement in RL practice that the learner receive feedback at every time step. Indeed, in many real-world applications of reinforcement learning, such as self-driving cars and robotics, it is easier to evaluate whether a learner's complete trajectory was either good'' or
bad,'' but harder to provide a reward signal at each step. To show that learning is possible in this more challenging setting, we study the case where trajectory labels are generated by an unknown parametric model, and provide a statistically and computationally efficient algorithm that achieves sublinear regret.

Semi-supervised learning (SSL) is an effective means to leverage unlabeled data to improve a model’s performance. Typical SSL methods like FixMatch assume that labeled and unlabeled data share the same label space. However, in practice, unlabeled data can contain categories unseen in the labeled set, i.e., outliers, which can significantly harm the performance of SSL algorithms. To address this problem, we propose a novel Open-set Semi-Supervised Learning (OSSL) approach called OpenMatch.Learning representations of inliers while rejecting outliers is essential for the success of OSSL. To this end, OpenMatch unifies FixMatch with novelty detection based on one-vs-all (OVA) classifiers. The OVA-classifier outputs the confidence score of a sample being an inlier, providing a threshold to detect outliers. Another key contribution is an open-set soft-consistency regularization loss, which enhances the smoothness of the OVA-classifier with respect to input transformations and greatly improves outlier detection. \ours achieves state-of-the-art performance on three datasets, and even outperforms a fully supervised model in detecting outliers unseen in unlabeled data on CIFAR10. The code is available at \url{https://github.com/VisionLearningGroup/OP_Match}.

Federated learning is a distributed learning paradigm where multiple agents, each only with access to local data, jointly learn a global model. There has recently been an explosion of research aiming not only to improve the accuracy rates of federated learning, but also provide certain guarantees around social good properties such as total error. One branch of this research has taken a game-theoretic approach, and in particular, prior work has viewed federated learning as a hedonic game, where error-minimizing players arrange themselves into federating coalitions. This past work proves the existence of stable coalition partitions, but leaves open a wide range of questions, including how far from optimal these stable solutions are. In this work, we motivate and define a notion of optimality given by the average error rates among federating agents (players). First, we provide and prove the correctness of an efficient algorithm to calculate an optimal (error minimizing) arrangement of players. Next, we analyze the relationship between the stability and optimality of an arrangement. First, we show that for some regions of parameter space, all stable arrangements are optimal (Price of Anarchy equal to 1). However, we show this is not true for all settings: there exist examples …
We study online convex optimization in the random order model, recently proposed by Garber et al. (2020), where the loss functions may be chosen by an adversary, but are then presented to the online algorithm in a uniformly random order. Focusing on the scenario where the cumulative loss function is (strongly) convex, yet individual loss functions are smooth but might be non-convex, we give algorithms that achieve the optimal bounds and significantly outperform the results of Garber et al. (2020), completely removing the dimension dependence and improve their scaling with respect to the strong convexity parameter. Our analysis relies on novel connections between algorithmic stability and generalization for sampling without-replacement analogous to those studied in the with-replacement i.i.d. setting, as well as on a refined average stability analysis of stochastic gradient descent.


We study regret minimization in non-episodic factored Markov decision processes (FMDPs), where all existing algorithms make the strong assumption that the factored structure of the FMDP is known to the learner in advance. In this paper, we provide the first algorithm that learns the structure of the FMDP while minimizing the regret. Our algorithm is based on the optimism in face of uncertainty principle, combined with a simple statistical method for structure learning, and can be implemented efficiently given oracle-access to an FMDP planner. Moreover, we give a variant of our algorithm that remains efficient even when the oracle is limited to non-factored actions, which is the case with almost all existing approximate planners. Finally, we leverage our techniques to prove a novel lower bound for the known structure case, closing the gap to the regret bound of Chen et al. [2021].

As annotations of data can be scarce in large-scale practical problems, leveraging unlabelled examples is one of the most important aspects of machine learning. This is the aim of semi-supervised learning. To benefit from the access to unlabelled data, it is natural to diffuse smoothly knowledge of labelled data to unlabelled one. This induces to the use of Laplacian regularization. Yet, current implementations of Laplacian regularization suffer from several drawbacks, notably the well-known curse of dimensionality. In this paper, we design a new class of algorithms overcoming this issue, unveiling a large body of spectral filtering methods. Additionally, we provide a statistical analysis showing that our estimators exhibit desirable behaviors. They are implemented through (reproducing) kernel methods, for which we provide realistic computational guidelines in order to make our method usable with large amounts of data.

Estimation of parameters in differential equation models can be achieved by applying learning algorithms to quantitative time-series data. However, sometimes it is only possible to measure qualitative changes of a system in response to a controlled condition. In dynamical systems theory, such change points are known as bifurcations and lie on a function of the controlled condition called the bifurcation diagram. In this work, we propose a gradient-based approach for inferring the parameters of differential equations that produce a user-specified bifurcation diagram. The cost function contains an error term that is minimal when the model bifurcations match the specified targets and a bifurcation measure which has gradients that push optimisers towards bifurcating parameter regimes. The gradients can be computed without the need to differentiate through the operations of the solver that was used to compute the diagram. We demonstrate parameter inference with minimal models which explore the space of saddle-node and pitchfork diagrams and the genetic toggle switch from synthetic biology. Furthermore, the cost landscape allows us to organise models in terms of topological and geometric equivalence.

Graph neural networks are increasingly becoming the go-to approach in various fields such as computer vision, computational biology and chemistry, where data are naturally explained by graphs. However, unlike traditional convolutional neural networks, deep graph networks do not necessarily yield better performance than shallow graph networks. This behavior usually stems from the over-smoothing phenomenon. In this work, we propose a family of architecturesto control this behavior by design. Our networks are motivated by numerical methods for solving Partial Differential Equations (PDEs) on manifolds, and as such, their behavior can be explained by similar analysis. Moreover, as we demonstrate using an extensive set of experiments, our PDE-motivated networks can generalize and be effective for various types of problems from different fields. Our architectures obtain better or on par with the current state-of-the-art results for problems that are typically approached using different architectures.

Neural network models are known to reinforce hidden data biases, making them unreliable and difficult to interpret. We seek to build models that `know what they do not know' by introducing inductive biases in the function space. We show that periodic activation functions in Bayesian neural networks establish a connection between the prior on the network weights and translation-invariant, stationary Gaussian process priors. Furthermore, we show that this link goes beyond sinusoidal (Fourier) activations by also covering triangular wave and periodic ReLU activation functions. In a series of experiments, we show that periodic activation functions obtain comparable performance for in-domain data and capture sensitivity to perturbed inputs in deep neural networks for out-of-domain detection.

Perturb-and-MAP offers an elegant approach to approximately sample from a energy-based model (EBM) by computing the maximum-a-posteriori (MAP) configuration of a perturbed version of the model. Sampling in turn enables learning. However, this line of research has been hindered by the general intractability of the MAP computation. Very few works venture outside tractable models, and when they do, they use linear programming approaches, which as we will show, have several limitations. In this work we present perturb-and-max-product (PMP), a parallel and scalable mechanism for sampling and learning in discrete EBMs. Models can be arbitrary as long as they are built using tractable factors. We show that (a) for Ising models, PMP is orders of magnitude faster than Gibbs and Gibbs-with-Gradients (GWG) at learning and generating samples of similar or better quality; (b) PMP is able to learn and sample from RBMs; (c) in a large, entangled graphical model in which Gibbs and GWG fail to mix, PMP succeeds.

This paper introduces the PettingZoo library and the accompanying Agent Environment Cycle ("AEC") games model. PettingZoo is a library of diverse sets of multi-agent environments with a universal, elegant Python API. PettingZoo was developed with the goal of accelerating research in Multi-Agent Reinforcement Learning (
"MARL"), by making work more interchangeable, accessible and reproducible akin to what OpenAI's Gym library did for single-agent reinforcement learning. PettingZoo's API, while inheriting many features of Gym, is unique amongst MARL APIs in that it's based around the novel AEC games model. We argue, in part through case studies on major problems in popular MARL environments, that the popular game models are poor conceptual models of the games commonly used with MARL, that they promote severe bugs that are hard to detect, and that the AEC games model addresses these problems.
Optical Processing Units (OPUs) -- low-power photonic chips dedicated to large scale random projections -- have been used in previous work to train deep neural networks using Direct Feedback Alignment (DFA), an effective alternative to backpropagation. Here, we demonstrate how to leverage the intrinsic noise of optical random projections to build a differentially private DFA mechanism, making OPUs a solution of choice to provide a \emph{private-by-design} training. We provide a theoretical analysis of our adaptive privacy mechanism, carefully measuring how the noise of optical random projections propagates in the process and gives rise to provable Differential Privacy. Finally, we conduct experiments demonstrating the ability of our learning procedure to achieve solid end-task performance.

Automated machine learning (AutoML) can make data scientists more productive. But if machine learning is totally automated, that leaves no room for data scientists to apply their intuition. Hence, data scientists often prefer not total but gradual automation, where they control certain choices and AutoML explores the rest. Unfortunately, gradual AutoML is cumbersome with state-of-the-art tools, requiring large non-compositional code changes. More concise compositional code can be achieved with combinators, a powerful concept from functional programming. This paper introduces a small set of orthogonal combinators for composing machine-learning operators into pipelines. It describes a translation scheme from pipelines and associated hyperparameter schemas to search spaces for AutoML optimizers. On that foundation, this paper presents Lale, an open-source sklearn-compatible AutoML library, and evaluates it with a user study.

The ability to form complex plans based on raw visual input is a litmus test for current capabilities of artificial intelligence, as it requires a seamless combination of visual processing and abstract algorithmic execution, two traditionally separate areas of computer science. A recent surge of interest in this field brought advances that yield good performance in tasks ranging from arcade games to continuous control; these methods however do not come without significant issues, such as limited generalization capabilities and difficulties when dealing with combinatorially hard planning instances. Our contribution is two-fold: (i) we present a method that learns to represent its environment as a latent graph and leverages state reidentification to reduce the complexity of finding a good policy from exponential to linear (ii) we introduce a set of lightweight environments with an underlying discrete combinatorial structure in which planning is challenging even for humans. Moreover, we show that our methods achieves strong empirical generalization to variations in the environment, even across highly disadvantaged regimes, such as “one-shot” planning, or in an offline RL paradigm which only provides low-quality trajectories.

Post-processing in algorithmic fairness is a versatile approach for correcting bias in ML systems that are already used in production. The main appeal of post-processing is that it avoids expensive retraining. In this work, we propose general post-processing algorithms for individual fairness (IF). We consider a setting where the learner only has access to the predictions of the original model and a similarity graph between individuals, guiding the desired fairness constraints. We cast the IF post-processing problem as a graph smoothing problem corresponding to graph Laplacian regularization that preserves the desired "treat similar individuals similarly" interpretation. Our theoretical results demonstrate the connection of the new objective function to a local relaxation of the original individual fairness. Empirically, our post-processing algorithms correct individual biases in large-scale NLP models such as BERT, while preserving accuracy.


The design of optimal auctions is a problem of interest in economics, game theory and computer science. Despite decades of effort, strategyproof, revenue-maximizing auction designs are still not known outside of restricted settings. However, recent methods using deep learning have shown some success in approximating optimal auctions, recovering several known solutions and outperforming strong baselines when optimal auctions are not known. In addition to maximizing revenue, auction mechanisms may also seek to encourage socially desirable constraints such as allocation fairness or diversity. However, these philosophical notions neither have standardization nor do they have widely accepted formal definitions. In this paper, we propose PreferenceNet, an extension of existing neural-network-based auction mechanisms to encode constraints using (potentially human-provided) exemplars of desirable allocations. In addition, we introduce a new metric to evaluate an auction allocations' adherence to such socially desirable constraints and demonstrate that our proposed method is competitive with current state-of-the-art neural-network based auction designs. We validate our approach through human subject research and show that we are able to effectively capture real human preferences.



Private data analysis suffers a costly curse of dimensionality. However, the data often has an underlying low-dimensional structure. For example, when optimizing via gradient descent, the gradients often lie in or near a low-dimensional subspace. If that low-dimensional structure can be identified, then we can avoid paying (in terms of privacy or accuracy) for the high ambient dimension. We present differentially private algorithms that take input data sampled from a low-dimensional linear subspace (possibly with a small amount of error) and output that subspace (or an approximation to it). These algorithms can serve as a pre-processing step for other procedures.

We consider how to privately share the personalized privacy losses incurred by objective perturbation, using per-instance differential privacy (pDP). Standard differential privacy (DP) gives us a worst-case bound that might be orders of magnitude larger than the privacy loss to a particular individual relative to a fixed dataset. The pDP framework provides a more fine-grained analysis of the privacy guarantee to a target individual, but the per-instance privacy loss itself might be a function of sensitive data. In this paper, we analyze the per-instance privacy loss of releasing a private empirical risk minimizer learned via objective perturbation, and propose a group of methods to privately and accurately publish the pDP losses at little to no additional privacy cost.
Large-scale time series panels have become ubiquitous over the last years in areas such as retail, operational metrics, IoT, and medical domain (to name only a few). This has resulted in a need for forecasting techniques that effectively leverage all available data by learning across all time series in each panel. Among the desirable properties of forecasting techniques, being able to generate probabilistic predictions ranks among the top. In this paper, we therefore present Level Set Forecaster (LSF), a simple yet effective general approach to transform a point estimator into a probabilistic one. By recognizing the connection of our algorithm to random forests (RFs) and quantile regression forests (QRFs), we are able to prove consistency guarantees of our approach under mild assumptions on the underlying point estimator. As a byproduct, we prove the first consistency results for QRFs under the CART-splitting criterion. Empirical experiments show that our approach, equipped with tree-based models as the point estimator, rivals state-of-the-art deep learning models in terms of forecasting accuracy.

Actor-critic methods are widely used in offline reinforcement learningpractice, but are not so well-understood theoretically. We propose a newoffline actor-critic algorithm that naturally incorporates the pessimism principle, leading to several key advantages compared to the state of the art. The algorithm can operate when the Bellman evaluation operator is closed with respect to the action value function of the actor's policies; this is a more general setting than the low-rank MDP model. Despite the added generality, the procedure is computationally tractable as it involves the solution of a sequence of second-order programs.We prove an upper bound on the suboptimality gap of the policy returned by the procedure that depends on the data coverage of any arbitrary, possibly data dependent comparator policy.The achievable guarantee is complemented with a minimax lower bound that is matching up to logarithmic factors.
In imitation learning, it is common to learn a behavior policy to match an unknown target policy via max-likelihood training on a collected set of target demonstrations. In this work, we consider using offline experience datasets -- potentially far from the target distribution -- to learn low-dimensional state representations that provably accelerate the sample-efficiency of downstream imitation learning. A central challenge in this setting is that the unknown target policy itself may not exhibit low-dimensional behavior, and so there is a potential for the representation learning objective to alias states in which the target policy acts differently. Circumventing this challenge, we derive a representation learning objective that provides an upper bound on the performance difference between the target policy and a low-dimensional policy trained with max-likelihood, and this bound is tight regardless of whether the target policy itself exhibits low-dimensional structure. Moving to the practicality of our method, we show that our objective can be implemented as contrastive learning, in which the transition dynamics are approximated by either an implicit energy-based model or, in some special cases, an implicit linear model with representations given by random Fourier features. Experiments on both tabular environments and high-dimensional Atari games provide quantitative evidence …

Graph neural networks (GNNs) have recently emerged as revolutionary technologies for machine learning tasks on graphs. In GNNs, the graph structure is generally incorporated with node representation via the message passing scheme, making the explanation much more challenging. Given a trained GNN model, a GNN explainer aims to identify a most influential subgraph to interpret the prediction of an instance (e.g., a node or a graph), which is essentially a combinatorial optimization problem over graph. The existing works solve this problem by continuous relaxation or search-based heuristics. But they suffer from key issues such as violation of message passing and hand-crafted heuristics, leading to inferior interpretability. To address these issues, we propose a RL-enhanced GNN explainer, RG-Explainer, which consists of three main components: starting point selection, iterative graph generation and stopping criteria learning. RG-Explainer could construct a connected explanatory subgraph by sequentially adding nodes from the boundary of the current generated graph, which is consistent with the message passing scheme. Further, we design an effective seed locator to select the starting point, and learn stopping criteria to generate superior explanations. Extensive experiments on both synthetic and real datasets show that RG-Explainer outperforms state-of-the-art GNN explainers. Moreover, RG-Explainer can be applied …

The study of Variational Quantum Eigensolvers (VQEs) has been in the spotlight in recent times as they may lead to real-world applications of near-term quantum devices. However, their performance depends on the structure of the used variational ansatz, which requires balancing the depth and expressivity of the corresponding circuit. At the same time, near-term restrictions limit the depth of the circuit we can expect to run. Thus, the optimization of the VQE ansatz requires maximizing the expressivity of the circuit while maintaining low depth. In recent years, various methods for VQE structure optimization have been introduced but the capacities of machine learning to aid with this problem have not yet been extensively investigated. In this work, we propose a reinforcement learning algorithm that autonomously explores the space of possible ansatzes, identifying economic circuits which still yield accurate ground energy estimates. The algorithm uses a feedback-driven curriculum learning method that autonomously adapts the complexity of the learning problem to the current performance of the learning algorithm and it incrementally improves the accuracy of the result while minimizing the circuit depth. We showcase the performance of our algorithm on the problem of estimating the ground-state energy of lithium hydride (LiH) in various …
Many differentially private algorithms for answering database queries involve astep that reconstructs a discrete data distribution from noisy measurements. Thisprovides consistent query answers and reduces error, but often requires space thatgrows exponentially with dimension. PRIVATE-PGM is a recent approach that usesgraphical models to represent the data distribution, with complexity proportional tothat of exact marginal inference in a graphical model with structure determined bythe co-occurrence of variables in the noisy measurements. PRIVATE-PGM is highlyscalable for sparse measurements, but may fail to run in high dimensions with densemeasurements. We overcome the main scalability limitation of PRIVATE-PGMthrough a principled approach that relaxes consistency constraints in the estimationobjective. Our new approach works with many existing private query answeringalgorithms and improves scalability or accuracy with no privacy cost.

Decision makers rely on probabilistic forecasts to predict the loss of different decision rules before deployment. When the forecasted probabilities match the true frequencies, predicted losses will be accurate. Although perfect forecasts are typically impossible, probabilities can be calibrated to match the true frequencies on average. However, we find that this \textit{average} notion of calibration, which is typically used in practice, does not necessarily guarantee accurate decision loss prediction. Specifically in the regression setting, the loss of threshold decisions, which are decisions based on whether the forecasted outcome falls above or below a cutoff, might not be predicted accurately. We propose a stronger notion of calibration called threshold calibration, which is exactly the condition required to ensure that decision loss is predicted accurately for threshold decisions. We provide an efficient algorithm which takes an uncalibrated forecaster as input and provably outputs a threshold-calibrated forecaster. Our procedure allows downstream decision makers to confidently estimate the loss of any threshold decision under any threshold loss function. Empirically, threshold calibration improves decision loss prediction without compromising on the quality of the decisions in two real-world settings: hospital scheduling decisions and resource allocation decisions.

We study privacy in a distributed learning framework, where clients collaboratively build a learning model iteratively throughinteractions with a server from whom we need privacy. Motivated by stochastic optimization and the federated learning (FL) paradigm, we focus on the case where a small fraction of data samples are randomly sub-sampled in each round to participate in the learning process, which also enables privacy amplification. To obtain even stronger local privacy guarantees, we study this in the shuffle privacy model, where each client randomizes its response using a local differentially private (LDP) mechanism and the server only receives a random permutation (shuffle) of the clients' responses without theirassociation to each client. The principal result of this paper is a privacy-optimization performance trade-off for discrete randomization mechanisms in this sub-sampled shuffle privacy model. This is enabledthrough a new theoretical technique to analyze the Renyi Differential Privacy (RDP) of the sub-sampled shuffle model. We numerically demonstrate that, for important regimes, with composition our boundyields significant improvement in privacy guarantee over the state-of-the-art approximate Differential Privacy (DP) guarantee (with strong composition) for sub-sampled shuffled models. We also demonstrate numerically significant improvement in privacy-learning performance operating point using real data sets. Despite these advances, an …


Recent papers on the theory of representation learning has shown the importance of a quantity called diversity when generalizing from a set of source tasks to a target task. Most of these papers assume that the function mapping shared representations to predictions is linear, for both source and target tasks. In practice, researchers in deep learning use different numbers of extra layers following the pretrained model based on the difficulty of the new task. This motivates us to ask whether diversity can be achieved when source tasks and the target task use different prediction function spaces beyond linear functions. We show that diversity holds even if the target task uses a neural network with multiple layers, as long as source tasks use linear functions. If source tasks use nonlinear prediction functions, we provide a negative result by showing that depth-1 neural networks with ReLu activation function need exponentially many source tasks to achieve diversity. For a general function class, we find that eluder dimension gives a lower bound on the number of tasks required for diversity. Our theoretical results imply that simpler tasks generalize better. Though our theoretical results are shown for the global minimizer of empirical risks, their qualitative …

Event-based cameras are dynamic vision sensors that provide asynchronous measurements of changes in per-pixel brightness at a microsecond level. This makes them significantly faster than conventional frame-based cameras, and an appealing choice for high-speed robot navigation. While an interesting sensor modality, this asynchronously streamed event data poses a challenge for machine learning based computer vision techniques that are more suited for synchronous, frame-based data. In this paper, we present an event variational autoencoder through which compact representations can be learnt directly from asynchronous spatiotemporal event data. Furthermore, we show that such pretrained representations can be used for event-based reinforcement learning instead of end-to-end reward driven perception. We validate this framework of learning event-based visuomotor policies by applying it to an obstacle avoidance scenario in simulation. Compared to techniques that treat event data as images, we show that representations learnt from event streams result in faster policy training, adapt to different control capacities, and demonstrate a higher degree of robustness to environmental changes and sensor noise.

Recurrent neural networks (RNNs) are powerful models for processing time-series data, but it remains challenging to understand how they function. Improving this understanding is of substantial interest to both the machine learning and neuroscience communities. The framework of reverse engineering a trained RNN by linearizing around its fixed points has provided insight, but the approach has significant challenges. These include difficulty choosing which fixed point to expand around when studying RNN dynamics and error accumulation when reconstructing the nonlinear dynamics with the linearized dynamics. We present a new model that overcomes these limitations by co-training an RNN with a novel switching linear dynamical system (SLDS) formulation. A first-order Taylor series expansion of the co-trained RNN and an auxiliary function trained to pick out the RNN's fixed points govern the SLDS dynamics. The results are a trained SLDS variant that closely approximates the RNN, an auxiliary function that can produce a fixed point for each point in state-space, and a trained nonlinear RNN whose dynamics have been regularized such that its first-order terms perform the computation, if possible. This model removes the post-training fixed point optimization and allows us to unambiguously study the learned dynamics of the SLDS at any point …

Contrastive self-supervised learning has outperformed supervised pretraining on many downstream tasks like segmentation and object detection. However, current methods are still primarily applied to curated datasets like ImageNet. In this paper, we first study how biases in the dataset affect existing methods. Our results show that an approach like MoCo works surprisingly well across: (i) object- versus scene-centric, (ii) uniform versus long-tailed and (iii) general versus domain-specific datasets. Second, given the generality of the approach, we try to realize further gains with minor modifications. We show that learning additional invariances - through the use of multi-scale cropping, stronger augmentations and nearest neighbors - improves the representations. Finally, we observe that MoCo learns spatially structured representations when trained with a multi-crop strategy. The representations can be used for semantic segment retrieval and video instance segmentation without finetuning. Moreover, the results are on par with specialized models. We hope this work will serve as a useful study for other researchers.

In this work, we address risk-averse Bayes-adaptive reinforcement learning. We pose the problem of optimising the conditional value at risk (CVaR) of the total return in Bayes-adaptive Markov decision processes (MDPs). We show that a policy optimising CVaR in this setting is risk-averse to both the epistemic uncertainty due to the prior distribution over MDPs, and the aleatoric uncertainty due to the inherent stochasticity of MDPs. We reformulate the problem as a two-player stochastic game and propose an approximate algorithm based on Monte Carlo tree search and Bayesian optimisation. Our experiments demonstrate that our approach significantly outperforms baseline approaches for this problem.

Modern machine learning systems such as deep neural networks are often highly over-parameterized so that they can fit the noisy training data exactly, yet they can still achieve small test errors in practice. In this paper, we study this "benign overfitting" phenomenon of the maximum margin classifier for linear classification problems. Specifically, we consider data generated from sub-Gaussian mixtures, and provide a tight risk bound for the maximum margin linear classifier in the over-parameterized setting. Our results precisely characterize the condition under which benign overfitting can occur in linear classification problems, and improve on previous work. They also have direct implications for over-parameterized logistic regression.
Empirical risk minimization (ERM) is the workhorse of machine learning, whether for classification and regression or for off-policy policy learning, but its model-agnostic guarantees can fail when we use adaptively collected data, such as the result of running a contextual bandit algorithm. We study a generic importance sampling weighted ERM algorithm for using adaptively collected data to minimize the average of a loss function over a hypothesis class and provide first-of-their-kind generalization guarantees and fast convergence rates. Our results are based on a new maximal inequality that carefully leverages the importance sampling structure to obtain rates with the good dependence on the exploration rate in the data. For regression, we provide fast rates that leverage the strong convexity of squared-error loss. For policy learning, we provide regret guarantees that close an open gap in the existing literature whenever exploration decays to zero, as is the case for bandit-collected data. An empirical investigation validates our theory.


We consider the problem of allocating divisible items among multiple agents, and consider the setting where any agent is allowed to introduce {\emph diversity constraints} on the items they are allocated. We motivate this via settings where the items themselves correspond to user ad slots or task workers with attributes such as race and gender on which the principal seeks to achieve demographic parity. We consider the following question: When an agent expresses diversity constraints into an allocation rule, is the allocation of other agents hurt significantly? If this happens, the cost of introducing such constraints is disproportionately borne by agents who do not benefit from diversity. We codify this via two desiderata capturing {\em robustness}. These are {\emph no negative externality} -- other agents are not hurt -- and {\emph monotonicity} -- the agent enforcing the constraint does not see a large increase in value. We show in a formal sense that the Nash Welfare rule that maximizes product of agent values is {\emph uniquely} positioned to be robust when diversity constraints are introduced, while almost all other natural allocation rules fail this criterion. We also show that the guarantees achieved by Nash Welfare are nearly optimal within a …

While safe reinforcement learning (RL) holds great promise for many practical applications like robotics or autonomous cars, current approaches require specifying constraints in mathematical form. Such specifications demand domain expertise, limiting the adoption of safe RL. In this paper, we propose learning to interpret natural language constraints for safe RL. To this end, we first introduce HAZARDWORLD, a new multi-task benchmark that requires an agent to optimize reward while not violating constraints specified in free-form text. We then develop an agent with a modular architecture that can interpret and adhere to such textual constraints while learning new tasks. Our model consists of (1) a constraint interpreter that encodes textual constraints into spatial and temporal representations of forbidden states, and (2) a policy network that uses these representations to produce a policy achieving minimal constraint violations during training. Across different domains in HAZARDWORLD, we show that our method achieves higher rewards (up to11x) and fewer constraint violations (by 1.8x) compared to existing approaches. However, in terms of absolute performance, HAZARDWORLD still poses significant challenges for agents to learn efficiently, motivating the need for future work.
Sampling-based inference and learning techniques, especially Bayesian inference, provide an essential approach to handling uncertainty in machine learning (ML). As these techniques are increasingly used in daily life, it becomes essential to safeguard the ML systems with various trustworthy-related constraints, such as fairness, safety, interpretability. Mathematically, enforcing these constraints in probabilistic inference can be cast into sampling from intractable distributions subject to general nonlinear constraints, for which practical efficient algorithms are still largely missing. In this work, we propose a family of constrained sampling algorithms which generalize Langevin Dynamics (LD) and Stein Variational Gradient Descent (SVGD) to incorporate a moment constraint specified by a general nonlinear function. By exploiting the gradient flow structure of LD and SVGD, we derive two types of algorithms for handling constraints, including a primal-dual gradient approach and the constraint controlled gradient descent approach. We investigate the continuous-time mean-field limit of these algorithms and show that they have O(1/t) convergence under mild conditions. Moreover, the LD variant converges linearly assuming that a log Sobolev like inequality holds. Various numerical experiments are conducted to demonstrate the efficiency of our algorithms in trustworthy settings.

Lookahead search has been a critical component of recent AI successes, such as in the games of chess, go, and poker. However, the search methods used in these games, and in many other settings, are tabular. Tabular search methods do not scale well with the size of the search space, and this problem is exacerbated by stochasticity and partial observability. In this work we replace tabular search with online model-based fine-tuning of a policy neural network via reinforcement learning, and show that this approach outperforms state-of-the-art search algorithms in benchmark settings. In particular, we use our search algorithm to achieve a new state-of-the-art result in self-play Hanabi, and show the generality of our algorithm by also showing that it outperforms tabular search in the Atari game Ms. Pacman.



Score-based generative models (SGMs) have recently demonstrated impressive results in terms of both sample quality and distribution coverage. However, they are usually applied directly in data space and often require thousands of network evaluations for sampling. Here, we propose the Latent Score-based Generative Model (LSGM), a novel approach that trains SGMs in a latent space, relying on the variational autoencoder framework. Moving from data to latent space allows us to train more expressive generative models, apply SGMs to non-continuous data, and learn smoother SGMs in a smaller space, resulting in fewer network evaluations and faster sampling. To enable training LSGMs end-to-end in a scalable and stable manner, we (i) introduce a new score-matching objective suitable to the LSGM setting, (ii) propose a novel parameterization of the score function that allows SGM to focus on the mismatch of the target distribution with respect to a simple Normal one, and (iii) analytically derive multiple techniques for variance reduction of the training objective. LSGM obtains a state-of-the-art FID score of 2.10 on CIFAR-10, outperforming all existing generative results on this dataset. On CelebA-HQ-256, LSGM is on a par with previous SGMs in sample quality while outperforming them in sampling time by two orders …
Large Transformer models have been central to recent advances in natural language processing. The training and inference costs of these models, however, have grown rapidly and become prohibitively expensive. Here we aim to reduce the costs of Transformers by searching for a more efficient variant. Compared to previous approaches, our search is performed at a lower level, over the primitives that define a Transformer TensorFlow program. We identify an architecture, named Primer, that has a smaller training cost than the original Transformer and other variants for auto-regressive language modeling. Primer’s improvements can be mostly attributed to two simple modifications: squaring ReLU activations and adding a depthwise convolution layer after each Q, K, and V projection in self-attention.Experiments show Primer’s gains over Transformer increase as compute scale grows and follow a power law with respect to quality at optimal model sizes. We also verify empirically that Primer can be dropped into different codebases to significantly speed up training without additional tuning. For example, at a 500M parameter size, Primer improves the original T5 architecture on C4 auto-regressive language modeling, reducing the training cost by 4X. Furthermore, the reduced training cost means Primer needs much less compute to reach a target one-shot …

Complex physical tasks entail a sequence of object interactions, each with its own preconditions -- which can be difficult for robotic agents to learn efficiently solely through their own experience. We introduce an approach to discover activity-context priors from in-the-wild egocentric video captured with human worn cameras. For a given object, an activity-context prior represents the set of other compatible objects that are required for activities to succeed (e.g., a knife and cutting board brought together with a tomato are conducive to cutting). We encode our video-based prior as an auxiliary reward function that encourages an agent to bring compatible objects together before attempting an interaction. In this way, our model translates everyday human experience into embodied agent skills. We demonstrate our idea using egocentric EPIC-Kitchens video of people performing unscripted kitchen activities to benefit virtual household robotic agents performing various complex tasks in AI2-iTHOR, significantly accelerating agent learning.

We consider shared response modeling, a multi-view learning problem where one wants to identify common components from multiple datasets or views. We introduce Shared Independent Component Analysis (ShICA) that models eachview as a linear transform of shared independent components contaminated by additive Gaussian noise. We show that this model is identifiable if the components are either non-Gaussian or have enough diversity in noise variances. We then show that in some cases multi-set canonical correlation analysis can recover the correct unmixing matrices, but that even a small amount of sampling noise makes Multiset CCA fail. To solve this problem, we propose to use joint diagonalization after Multiset CCA, leading to a new approach called ShICA-J. We show via simulations that ShICA-J leads to improved results while being very fast to fit. While ShICA-J is based on second-order statistics, we further propose to leverage non-Gaussianity of the components using a maximum-likelihood method, ShICA-ML, that is both more accurate and more costly. Further, ShICA comes with a principled method for shared components estimation. Finally, we provide empirical evidence on fMRI and MEG datasets that ShICA yields more accurate estimation of the componentsthan alternatives.

We employ a toolset --- dubbed Dr. Frankenstein --- to analyse the similarity of representations in deep neural networks. With this toolset we aim to match the activations on given layers of two trained neural networks by joining them with a stitching layer. We demonstrate that the inner representations emerging in deep convolutional neural networks with the same architecture but different initialisations can be matched with a surprisingly high degree of accuracy even with a single, affine stitching layer. We choose the stitching layer from several possible classes of linear transformations and investigate their performance and properties. The task of matching representations is closely related to notions of similarity. Using this toolset we also provide a novel viewpoint on the current line of research regarding similarity indices of neural network representations: the perspective of the performance on a task.

Detecting out-of-distribution (OOD) samples is vital for developing machine learning based models for critical safety systems. Common approaches for OOD detection assume access to some OOD samples during training which may not be available in a real-life scenario. Instead, we utilize the {\em predictive normalized maximum likelihood} (pNML) learner, in which no assumptions are made on the tested input. We derive an explicit expression of the pNML and its generalization error, denoted as the regret, for a single layer neural network (NN). We show that this learner generalizes well when (i) the test vector resides in a subspace spanned by the eigenvectors associated with the large eigenvalues of the empirical correlation matrix of the training data, or (ii) the test sample is far from the decision boundary. Furthermore, we describe how to efficiently apply the derived pNML regret to any pretrained deep NN, by employing the explicit pNML for the last layer, followed by the softmax function. Applying the derived regret to deep NN requires neither additional tunable parameters nor extra data. We extensively evaluate our approach on 74 OOD detection benchmarks using DenseNet-100, ResNet-34, and WideResNet-40 models trained with CIFAR-100, CIFAR-10, SVHN, and ImageNet-30 showing a significant improvement of …


Natural language instructions for visual navigation often use scene descriptions (e.g., bedroom) and object references (e.g., green chairs) to provide a breadcrumb trail to a goal location. This work presents a transformer-based vision-and-language navigation (VLN) agent that uses two different visual encoders -- a scene classification network and an object detector -- which produce features that match these two distinct types of visual cues. In our method, scene features contribute high-level contextual information that supports object-level processing. With this design, our model is able to use vision-and-language pretraining (i.e., learning the alignment between images and text from large-scale web data) to substantially improve performance on the Room-to-Room (R2R) and Room-Across-Room (RxR) benchmarks. Specifically, our approach leads to improvements of 1.8% absolute in SPL on R2R and 3.7% absolute in SR on RxR. Our analysis reveals even larger gains for navigation instructions that contain six or more object references, which further suggests that our approach is better able to use object features and align them to references in the instructions.

Many recent AI architectures are inspired by zero-sum games, however, the behavior of their dynamics is still not well understood. Inspired by this, we study standard gradient descent ascent (GDA) dynamics in a specific class of non-convex non-concave zero-sum games, that we call hidden zero-sum games. In this class, players control the inputs of smooth but possibly non-linear functions whose outputs are being applied as inputs to a convex-concave game. Unlike general zero-sum games, these games have a well-defined notion of solution; outcomes that implement the von-Neumann equilibrium of the ``hidden" convex-concave game. We provide conditions under which vanilla GDA provably converges not merely to local Nash, but the actual von-Neumann solution. If the hidden game lacks strict convexity properties, GDA may fail to converge to any equilibrium, however, by applying standard regularization techniques we can prove convergence to a von-Neumann solution of a slightly perturbed zero-sum game. Our convergence results are non-local despite working in the setting of non-convex non-concave games. Critically, under proper assumptions we combine the Center-Stable Manifold Theorem along with novel type of initialization dependent Lyapunov functions to prove that almost all initial conditions converge to the solution. Finally, we discuss diverse applications of our framework …

Neural Transducer (e.g., RNN-T) has been widely used in automatic speech recognition (ASR) due to its capabilities of efficiently modeling monotonic alignments between input and output sequences and naturally supporting streaming inputs. Considering that monotonic alignments are also critical to text to speech (TTS) synthesis and streaming TTS is also an important application scenario, in this work, we explore the possibility of applying Transducer to TTS and more. However, it is challenging because it is difficult to trade off the emission (continuous mel-spectrogram prediction) probability and transition (ASR Transducer predicts blank token to indicate transition to next input) probability when calculating the output probability lattice in Transducer, and it is not easy to learn the alignments between text and speech through the output probability lattice. We propose SpeechTransducer (Speech-T for short), a Transformer based Transducer model that 1) uses a new forward algorithm to separate the transition prediction from the continuous mel-spectrogram prediction when calculating the output probability lattice, and uses a diagonal constraint in the probability lattice to help the alignment learning; 2) supports both full-sentence or streaming TTS by adjusting the look-ahead context; and 3) further supports both TTS and ASR together for the first time, which enjoys …

While agents trained by Reinforcement Learning (RL) can solve increasingly challenging tasks directly from visual observations, generalizing learned skills to novel environments remains very challenging. Extensive use of data augmentation is a promising technique for improving generalization in RL, but it is often found to decrease sample efficiency and can even lead to divergence. In this paper, we investigate causes of instability when using data augmentation in common off-policy RL algorithms. We identify two problems, both rooted in high-variance Q-targets. Based on our findings, we propose a simple yet effective technique for stabilizing this class of algorithms under augmentation. We perform extensive empirical evaluation of image-based RL using both ConvNets and Vision Transformers (ViT) on a family of benchmarks based on DeepMind Control Suite, as well as in robotic manipulation tasks. Our method greatly improves stability and sample efficiency of ConvNets under augmentation, and achieves generalization results competitive with state-of-the-art methods for image-based RL in environments with unseen visuals. We further show that our method scales to RL with ViT-based architectures, and that data augmentation may be especially important in this setting.




Two of the most prominent algorithms for solving unconstrained smooth games are the classical stochastic gradient descent-ascent (SGDA) and the recently introduced stochastic consensus optimization (SCO) [Mescheder et al., 2017]. SGDA is known to converge to a stationary point for specific classes of games, but current convergence analyses require a bounded variance assumption. SCO is used successfully for solving large-scale adversarial problems, but its convergence guarantees are limited to its deterministic variant. In this work, we introduce the expected co-coercivity condition, explain its benefits, and provide the first last-iterate convergence guarantees of SGDA and SCO under this condition for solving a class of stochastic variational inequality problems that are potentially non-monotone. We prove linear convergence of both methods to a neighborhood of the solution when they use constant step-size, and we propose insightful stepsize-switching rules to guarantee convergence to the exact solution. In addition, our convergence guarantees hold under the arbitrary sampling paradigm, and as such, we give insights into the complexity of minibatching.

Modelers use automatic differentiation (AD) of computation graphs to implement complex Deep Learning models without defining gradient computations. Stochastic AD extends AD to stochastic computation graphs with sampling steps, which arise when modelers handle the intractable expectations common in Reinforcement Learning and Variational Inference. However, current methods for stochastic AD are limited: They are either only applicable to continuous random variables and differentiable functions, or can only use simple but high variance score-function estimators. To overcome these limitations, we introduce Storchastic, a new framework for AD of stochastic computation graphs. Storchastic allows the modeler to choose from a wide variety of gradient estimation methods at each sampling step, to optimally reduce the variance of the gradient estimates. Furthermore, Storchastic is provably unbiased for estimation of any-order gradients, and generalizes variance reduction techniques to higher-order gradient estimates. Finally, we implement Storchastic as a PyTorch library at github.com/HEmile/storchastic.
We consider the problem of estimating a linear time-invariant (LTI) dynamical system from a single trajectory via streaming algorithms, which is encountered in several applications including reinforcement learning (RL) and time-series analysis. While the LTI system estimation problem is well-studied in the {\em offline} setting, the practically important streaming/online setting has received little attention. Standard streaming methods like stochastic gradient descent (SGD) are unlikely to work since streaming points can be highly correlated. In this work, we propose a novel streaming algorithm, SGD with Reverse Experience Replay (SGD-RER), that is inspired by the experience replay (ER) technique popular in the RL literature. SGD-RER divides data into small buffers and runs SGD backwards on the data stored in the individual buffers. We show that this algorithm exactly deconstructs the dependency structure and obtains information theoretically optimal guarantees for both parameter error and prediction error. Thus, we provide the first -- to the best of our knowledge -- optimal SGD-style algorithm for the classical problem of linear system identification with a first order oracle. Furthermore, SGD-RER can be applied to more general settings like sparse LTI identification with known sparsity pattern, and non-linear dynamical systems. Our work demonstrates that the knowledge of …

Self-supervised learning has been shown to be very effective in learning useful representations, and yet much of the success is achieved in data types such as images, audio, and text. The success is mainly enabled by taking advantage of spatial, temporal, or semantic structure in the data through augmentation. However, such structure may not exist in tabular datasets commonly used in fields such as healthcare, making it difficult to design an effective augmentation method, and hindering a similar progress in tabular data setting. In this paper, we introduce a new framework, Subsetting features of Tabular data (SubTab), that turns the task of learning from tabular data into a multi-view representation learning problem by dividing the input features to multiple subsets. We argue that reconstructing the data from the subset of its features rather than its corrupted version in an autoencoder setting can better capture its underlying latent representation. In this framework, the joint representation can be expressed as the aggregate of latent variables of the subsets at test time, which we refer to as collaborative inference. Our experiments show that the SubTab achieves the state of the art (SOTA) performance of 98.31% on MNIST in tabular setting, on par with …


Surrogate risk minimization is an ubiquitous paradigm in supervised machine learning, wherein a target problem is solved by minimizing a surrogate loss on a dataset. Surrogate regret bounds, also called excess risk bounds, are a common tool to prove generalization rates for surrogate risk minimization. While surrogate regret bounds have been developed for certain classes of loss functions, such as proper losses, general results are relatively sparse. We provide two general results. The first gives a linear surrogate regret bound for any polyhedral (piecewise-linear and convex) surrogate, meaning that surrogate generalization rates translate directly to target rates. The second shows that for sufficiently non-polyhedral surrogates, the regret bound is a square root, meaning fast surrogate generalization rates translate to slow rates for the target. Together, these results suggest polyhedral surrogates are optimal in many cases.

Imperative programming allows users to implement their deep neural networks (DNNs) easily and has become an essential part of recent deep learning (DL) frameworks. Recently, several systems have been proposed to combine the usability of imperative programming with the optimized performance of symbolic graph execution. Such systems convert imperative Python DL programs to optimized symbolic graphs and execute them. However, they cannot fully support the usability of imperative programming. For example, if an imperative DL program contains a Python feature with no corresponding symbolic representation (e.g., third-party library calls or unsupported dynamic control flows) they fail to execute the program. To overcome this limitation, we propose Terra, an imperative-symbolic co-execution system that can handle any imperative DL programs while achieving the optimized performance of symbolic graph execution. To achieve this, Terra builds a symbolic graph by decoupling DL operations from Python features. Then, Terra conducts the imperative execution to support all Python features, while delegating the decoupled operations to the symbolic execution. We evaluated Terra’s performance improvement and coverage with ten imperative DL programs for several DNN architectures. The results show that Terra can speed up the execution of all ten imperative DL programs, whereas AutoGraph, one of the state-of-the-art …

An increasingly common setting in machine learning involves multiple parties, each with their own data, who want to jointly make predictions on future test points. Agents wish to benefit from the collective expertise of the full set of agents to make better predictions than they would individually, but may not be willing to release labeled data or model parameters. In this work, we explore a decentralized mechanism to make collective predictions at test time, that is inspired by the literature in social science on human consensus-making. Building on a query model to facilitate information exchange among agents, our approach leverages each agent’s pre-trained model without relying on external validation, model retraining, or data pooling. A theoretical analysis shows that our approach recovers inverse mean-squared-error (MSE) weighting in the large-sample limit which is known to be the optimal way to combine independent, unbiased estimators. Empirically, we demonstrate that our scheme effectively combines models with differing quality across the input space: the proposed consensus prediction achieves significant gains over classical model averaging, and even outperforms weighted averaging schemes that have access to additional validation data. Finally, we propose a decentralized Jackknife procedure as a tool to evaluate the sensitivity of the collective …

Among the most successful methods for sparsifying deep (neural) networks are those that adaptively mask the network weights throughout training. By examining this masking, or dropout, in the linear case, we uncover a duality between such adaptive methods and regularization through the so-called “η-trick” that casts both as iteratively reweighted optimizations. We show that any dropout strategy that adapts to the weights in a monotonic way corresponds to an effective subquadratic regularization penalty, and therefore leads to sparse solutions. We obtain the effective penalties for several popular sparsification strategies, which are remarkably similar to classical penalties commonly used in sparse optimization. Considering variational dropout as a case study, we demonstrate similar empirical behavior between the adaptive dropout method and classical methods on the task of deep network sparsification, validating our theory.


We introduce the multi-dimensional Skellam mechanism, a discrete differential privacy mechanism based on the difference of two independent Poisson random variables. To quantify its privacy guarantees, we analyze the privacy loss distribution via a numerical evaluation and provide a sharp bound on the Rényi divergence between two shifted Skellam distributions. While useful in both centralized and distributed privacy applications, we investigate how it can be applied in the context of federated learning with secure aggregation under communication constraints. Our theoretical findings and extensive experimental evaluations demonstrate that the Skellam mechanism provides the same privacy-accuracy trade-offs as the continuous Gaussian mechanism, even when the precision is low. More importantly, Skellam is closed under summation and sampling from it only requires sampling from a Poisson distribution -- an efficient routine that ships with all machine learning and data analysis software packages. These features, along with its discrete nature and competitive privacy-accuracy trade-offs, make it an attractive practical alternative to the newly introduced discrete Gaussian mechanism.

We propose a novel setting for learning, where the input domain is the image of a map defined on the product of two sets, one of which completely determines the labels. We derive a new risk bound for this setting that decomposes into a bias and an error term, and exhibits a surprisingly weak dependence on the true labels. Inspired by these results, we present an algorithm aimed at minimizing the bias term by exploiting the ability to sample from each set independently. We apply our setting to visual classification tasks, where our approach enables us to train classifiers on datasets that consist entirely of a single synthetic example of each class. On several standard benchmarks for real-world image classification, we achieve robust performance in the context-agnostic setting, with good generalization to real world domains, whereas training directly on real world data without our techniques yields classifiers that are brittle to perturbations of the background.

When a graph neural network (GNN) made a prediction, one raises question about explainability: “Which fraction of the input graph is most influential to the model’s decision?” Producing an answer requires understanding the model’s inner workings in general and emphasizing the insights on the decision for the instance at hand. Nonetheless, most of current approaches focus only on one aspect: (1) local explainability, which explains each instance independently, thus hardly exhibits the class-wise patterns; and (2) global explainability, which systematizes the globally important patterns, but might be trivial in the local context. This dichotomy limits the flexibility and effectiveness of explainers greatly. A performant paradigm towards multi-grained explainability is until-now lacking and thus a focus of our work. In this work, we exploit the pre-training and fine-tuning idea to develop our explainer and generate multi-grained explanations. Specifically, the pre-training phase accounts for the contrastivity among different classes, so as to highlight the class-wise characteristics from a global view; afterwards, the fine-tuning phase adapts the explanations in the local context. Experiments on both synthetic and real-world datasets show the superiority of our explainer, in terms of AUC on explaining graph classification over the leading baselines. Our codes and datasets are available …

A common challenge across all areas of machine learning is that training data is not distributed like test data, due to natural shifts or adversarial examples; such examples are referred to as out-of-distribution (OOD) test examples. We consider a model where one may abstain from predicting, at a fixed cost. In particular, our transductive abstention algorithm takes labeled training examples and unlabeled test examples as input, and provides predictions with optimal prediction loss guarantees. The loss bounds match standard generalization bounds when test examples are i.i.d. from the training distribution, but add an additional term that is the cost of abstaining times the statistical distance between the train and test distribution (or the fraction of adversarial examples). For linear regression, we give a polynomial-time algorithm based on Celis-Dennis-Tapia optimization algorithms. For binary classification, we show how to efficiently implement it using a proper agnostic learner (i.e., an Empirical Risk Minimizer) for the class of interest. Our work builds on recent work of Goldwasser, Kalais, and Montasser (2020) who gave error and abstention guarantees for transductive binary classification.

Deep neural networks set the state-of-the-art across many tasks in computer vision, but their generalization ability to simple image distortions is surprisingly fragile. In contrast, the mammalian visual system is robust to a wide range of perturbations. Recent work suggests that this generalization ability can be explained by useful inductive biases encoded in the representations of visual stimuli throughout the visual cortex. Here, we successfully leveraged these inductive biases with a multi-task learning approach: we jointly trained a deep network to perform image classification and to predict neural activity in macaque primary visual cortex (V1) in response to the same natural stimuli. We measured the out-of-distribution generalization abilities of our resulting network by testing its robustness to common image distortions. We found that co-training on monkey V1 data indeed leads to increased robustness despite the absence of those distortions during training. Additionally, we showed that our network's robustness is often very close to that of an Oracle network where parts of the architecture are directly trained on noisy images. Our results also demonstrated that the network's representations become more brain-like as their robustness improves. Using a novel constrained reconstruction analysis, we investigated what makes our brain-regularized network more robust. We …


Many modern machine learning applications come with complex and nuanced design goals such as minimizing the worst-case error, satisfying a given precision or recall target, or enforcing group-fairness constraints. Popular techniques for optimizing such non-decomposable objectives reduce the problem into a sequence of cost-sensitive learning tasks, each of which is then solved by re-weighting the training loss with example-specific costs. We point out that the standard approach of re-weighting the loss to incorporate label costs can produce unsatisfactory results when used to train over-parameterized models. As a remedy, we propose new cost- sensitive losses that extend the classical idea of logit adjustment to handle more general cost matrices. Our losses are calibrated, and can be further improved with distilled labels from a teacher model. Through experiments on benchmark image datasets, we showcase the effectiveness of our approach in training ResNet models with common robust and constrained optimization objectives.

Decision trees have been widely used as classifiers in many machine learning applications thanks to their lightweight and interpretable decision process. This paper introduces Tree in Tree decision graph (TnT), a framework that extends the conventional decision tree to a more generic and powerful directed acyclic graph. TnT constructs decision graphs by recursively growing decision trees inside the internal or leaf nodes instead of greedy training. The time complexity of TnT is linear to the number of nodes in the graph, therefore it can construct decision graphs on large datasets. Compared to decision trees, we show that TnT achieves better classification performance with reduced model size, both as a stand-alone classifier and as a base-estimator in bagging/AdaBoost ensembles. Our proposed model is a novel, more efficient and accurate alternative to the widely-used decision trees.


We consider the problem of generating rankings that are fair towards both users and item producers in recommender systems. We address both usual recommendation (e.g., of music or movies) and reciprocal recommendation (e.g., dating). Following concepts of distributive justice in welfare economics, our notion of fairness aims at increasing the utility of the worse-off individuals, which we formalize using the criterion of Lorenz efficiency. It guarantees that rankings are Pareto efficient, and that they maximally redistribute utility from better-off to worse-off, at a given level of overall utility. We propose to generate rankings by maximizing concave welfare functions, and develop an efficient inference procedure based on the Frank-Wolfe algorithm. We prove that unlike existing approaches based on fairness constraints, our approach always produces fair rankings. Our experiments also show that it increases the utility of the worse-off at lower costs in terms of overall utility.

Estimating the per-state expected cumulative rewards is a critical aspect of reinforcement learning approaches, however the experience is obtained, but standard deep neural-network function-approximation methods are often inefficient in this setting. An alternative approach, exemplified by value iteration networks, is to learn transition and reward models of a latent Markov decision process whose value predictions fit the data. This approach has been shown empirically to converge faster to a more robust solution in many cases, but there has been little theoretical study of this phenomenon. In this paper, we explore such implicit representations of value functions via theory and focused experimentation. We prove that, for a linear parametrization, gradient descent converges to global optima despite non-linearity and non-convexity introduced by the implicit representation. Furthermore, we derive convergence rates for both cases which allow us to identify conditions under which stochastic gradient descent (SGD) with this implicit representation converges substantially faster than its explicit counterpart. Finally, we provide empirical results in some simple domains that illustrate the theoretical findings.

Humans are able to rapidly understand scenes by utilizing concepts extracted from prior experience. Such concepts are diverse, and include global scene descriptors, such as the weather or lighting, as well as local scene descriptors, such as the color or size of a particular object. So far, unsupervised discovery of concepts has focused on either modeling the global scene-level or the local object-level factors of variation, but not both. In this work, we propose COMET, which discovers and represents concepts as separate energy functions, enabling us to represent both global concepts as well as objects under a unified framework. COMET discovers energy functions through recomposing the input image, which we find captures independent factors without additional supervision. Sample generation in COMET is formulated as an optimization process on underlying energy functions, enabling us to generate images with permuted and composed concepts. Finally, discovered visual concepts in COMET generalize well, enabling us to compose concepts between separate modalities of images as well as with other concepts discovered by a separate instance of COMET trained on a different dataset. Code and data available at https://energy-based-model.github.io/comet/.

We propose the Motion Capsule Autoencoder (MCAE), which addresses a key challenge in the unsupervised learning of motion representations: transformation invariance. MCAE models motion in a two-level hierarchy. In the lower level, a spatio-temporal motion signal is divided into short, local, and semantic-agnostic snippets. In the higher level, the snippets are aggregated to form full-length semantic-aware segments. For both levels, we represent motion with a set of learned transformation invariant templates and the corresponding geometric transformations by using capsule autoencoders of a novel design. This leads to a robust and efficient encoding of viewpoint changes. MCAE is evaluated on a novel Trajectory20 motion dataset and various real-world skeleton-based human action datasets. Notably, it achieves better results than baselines on Trajectory20 with considerably fewer parameters and state-of-the-art performance on the unsupervised skeleton-based action recognition task.

Despite rapid progress in the recent past, current speech recognition systems still require labeled training data which limits this technology to a small fraction of the languages spoken around the globe. This paper describes wav2vec-U, short for wav2vec Unsupervised, a method to train speech recognition models without any labeled data. We leverage self-supervised speech representations to segment unlabeled audio and learn a mapping from these representations to phonemes via adversarial training. The right representations are key to the success of our method. Compared to the best previous unsupervised work, wav2vec-U reduces the phone error rate on the TIMIT benchmark from 26.1 to 11.3. On the larger English Librispeech benchmark, wav2vec-U achieves a word error rate of 5.9 on test-other, rivaling some of the best published systems trained on 960 hours of labeled data from only two years ago. We also experiment on nine other languages, including low-resource languages such as Kyrgyz, Swahili and Tatar.

We introduce ViSER, a method for recovering articulated 3D shapes and dense3D trajectories from monocular videos. Previous work on high-quality reconstruction of dynamic 3D shapes typically relies on multiple camera views, strong category-specific priors, or 2D keypoint supervision. We show that none of these are required if one can reliably estimate long-range correspondences in a video, making use of only 2D object masks and two-frame optical flow as inputs. ViSER infers correspondences by matching 2D pixels to a canonical, deformable 3D mesh via video-specific surface embeddings that capture the pixel appearance of each surface point. These embeddings behave as a continuous set of keypoint descriptors defined over the mesh surface, which can be used to establish dense long-range correspondences across pixels. The surface embeddings are implemented as coordinate-based MLPs that are fit to each video via self-supervised losses.Experimental results show that ViSER compares favorably against prior work on challenging videos of humans with loose clothing and unusual poses as well as animals videos from DAVIS and YTVOS. Project page: viser-shape.github.io.

As predictive models are deployed into the real world, they must increasingly contend with strategic behavior. A growing body of work on strategic classification treats this problem as a Stackelberg game: the decision-maker "leads" in the game by deploying a model, and the strategic agents "follow" by playing their best response to the deployed model. Importantly, in this framing, the burden of learning is placed solely on the decision-maker, while the agents’ best responses are implicitly treated as instantaneous. In this work, we argue that the order of play in strategic classification is fundamentally determined by the relative frequencies at which the decision-maker and the agents adapt to each other’s actions. In particular, by generalizing the standard model to allow both players to learn over time, we show that a decision-maker that makes updates faster than the agents can reverse the order of play, meaning that the agents lead and the decision-maker follows. We observe in standard learning settings that such a role reversal can be desirable for both the decision-maker and the strategic agents. Finally, we show that a decision-maker with the freedom to choose their update frequency can induce learning dynamics that converge to Stackelberg equilibria with either …
Demonstrations 3 Thu 9 Dec 08:30 a.m.
Demonstrations must show novel technology and must run online during the conference. Unlike poster presentations or slide shows, interaction with the audience is a critical element. Therefore, the creativity of demonstrators to propose new ways in which interaction and engagement can fully leverage this year’s virtual conference format will be particularly relevant for selection. This session has the following demonstrations:
- PYLON: A PyTorch Framework for Learning with Constraints
- Real-Time and Accurate Self-Supervised Monocular Depth Estimation on Mobile Device
- Unsupervised Indoor Wi-Fi Positioning
- Prospective Explanations: An Interactive Mechanism for Model Understanding
Datasets and Benchmarks: Dataset and Benchmark Poster Session 3 Thu 9 Dec 08:30 a.m.
The Datasets and Benchmarks track serves as a novel venue for high-quality publications, talks, and posters on highly valuable machine learning datasets and benchmarks, as well as a forum for discussions on how to improve dataset development. Datasets and benchmarks are crucial for the development of machine learning methods, but also require their own publishing and reviewing guidelines. For instance, datasets can often not be reviewed in a double-blind fashion, and hence full anonymization will not be required. On the other hand, they do require additional specific checks, such as a proper description of how the data was collected, whether they show intrinsic bias, and whether they will remain accessible.
Competition Track Day 3: Overviews + Breakout Sessions Thu 9 Dec 10:00 a.m.
The program includes a wide variety of exciting competitions in different domains, with some focusing more on applications and others trying to unify fields, focusing on technical challenges or directly tackling important problems in the world. The aim is for the broad program to make it so that anyone who wants to work on or learn from a competition can find something to their liking.
In this session, we have the following competitions:
* Evaluating Approximate Inference in Bayesian Deep Learning
* The NetHack Challenge
* Machine Learning for Combinatorial Optimization
* Traffic4cast 2021 - Temporal and Spatial Few-Shot Transfer Learning in Traffic Map Movie Forecasting
* BASALT: A MineRL Competition on Solving Human-Judged Tasks
* IGLU: Interactive Grounded Language Understanding in a Collaborative Environment
Panel: How Copyright Shapes Your Datasets and What To Do About It Thu 9 Dec 10:00 a.m.
Grappling with copyright law is unavoidable for ML researchers. Copyright protects works like text, photographs, and videos--all of which are used as ML training data, often without consent of the copyright owner. Relying on public domain works (like works published pre-1926), Creative Commons-licensed data (like Wikipedia) or ubiquitous data (like the Enron emails) seems like an easy way to avoid dealing with copyright. Unfortunately, only relying on those works predictably introduces bias into ML algorithms. This Workshop will not provide any legal advice, but it will equip researchers with the tools to understand copyright law and its relationship to ML bias, how the fair use doctrine may allow some copyrighted works to be used as training data without consent, and resources for obtaining legal advice related to copyright and ML research. Attendees will be able to participate in a Q&A after the presentation.
These are some of the resources mentioned in the discussion:
- Friendly Neighborhood Tech Clinics (no single website, but offices are scattered throughout the US and possibly other countries)
- How Copyright Law Can Fix Artificial Intelligence’s Implicit Bias Problem
- Paper: Resisting Face Surveillance with Copyright Law
- Paper: How Copyright Law Can Fix Artificial Intelligence's Implicit Bias Problem
- Paper: Fair Learning by Mark Lemley + Bryan Casey
Social: Improving Global Research Collaboration & Communication Thu 9 Dec 11:00 a.m.
Come learn and share best practices collaborating with researchers around the world, and discuss how to bridge the remote work, cultural, and social divides.
As Grid.ai and PyTorch Lightning are a global remote-first workplace, will be holding two special guest speakers from the company to discuss how they have improved their global research collaboration and communication. Q&A will follow, then we’ll break into networking for the last half of the hour. The whiteboards in our Gather space are meant for sharing collaboration ideas with others in the space.
Social: Women in AI Ignite Thu 9 Dec 11:00 a.m.
Join us for 5-minute Ignite talks by women in AI. Excited for the Third Annual Women in AI Ignite at NeurIPS. The idea of Women in AI Ignite Social is based on our experience hosting Women in Tech Ignite sessions at conferences around the world. Everyone is welcome; our speakers are women.
Datasets and Benchmarks: Dataset and Benchmark Symposium Thu 9 Dec 11:00 a.m.
The Datasets and Benchmarks track serves as a novel venue for high-quality publications, talks, and posters on highly valuable machine learning datasets and benchmarks, as well as a forum for discussions on how to improve dataset development. Datasets and benchmarks are crucial for the development of machine learning methods, but also require their own publishing and reviewing guidelines. For instance, datasets can often not be reviewed in a double-blind fashion, and hence full anonymization will not be required. On the other hand, they do require additional specific checks, such as a proper description of how the data was collected, whether they show intrinsic bias, and whether they will remain accessible.
Invited Talk: Meredith Broussard
Gender, Allyship & Public Interest Technology
In October 2021, X officially became an option for gender on US passports. What are the computational changes necessary to adapt to this more inclusive gender option? In this talk, Meredith Broussard investigates why large-scale computer systems are stuck using 1950s ideas about gender, and what is needed to update sociotechnical systems. She explores how allies can leverage public interest technology in order to think beyond the gender binary, interrogate and audit software systems, and create code for social good.
Bio :Poster Session 7 Thu 9 Dec 04:30 p.m.
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Recent deep-learning models have achieved impressive prediction performance, but often sacrifice interpretability and computational efficiency. Interpretability is crucial in many disciplines, such as science and medicine, where models must be carefully vetted or where interpretation is the goal itself. Moreover, interpretable models are concise and often yield computational efficiency. Here, we propose adaptive wavelet distillation (AWD), a method which aims to distill information from a trained neural network into a wavelet transform. Specifically, AWD penalizes feature attributions of a neural network in the wavelet domain to learn an effective multi-resolution wavelet transform. The resulting model is highly predictive, concise, computationally efficient, and has properties (such as a multi-scale structure) which make it easy to interpret. In close collaboration with domain experts, we showcase how AWD addresses challenges in two real-world settings: cosmological parameter inference and molecular-partner prediction. In both cases, AWD yields a scientifically interpretable and concise model which gives predictive performance better than state-of-the-art neural networks. Moreover, AWD identifies predictive features that are scientifically meaningful in the context of respective domains. All code and models are released in a full-fledged package available on Github.
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In this paper, we focus on auditing black-box prediction models for compliance with the GDPR’s data minimization principle. This principle restricts prediction models to use the minimal information that is necessary for performing the task at hand. Given the challenge of the black-box setting, our key idea is to check if each of the prediction model’s input features is individually necessary by assigning it some constant value (i.e., applying a simple imputation) across all prediction instances, and measuring the extent to which the model outcomes would change. We introduce a metric for data minimization that is based on model instability under simple imputations. We extend the applicability of this metric from a finite sample model to a distributional setting by introducing a probabilistic data minimization guarantee, which we derive using a Bayesian approach. Furthermore, we address the auditing problem under a constraint on the number of queries to the prediction system. We formulate the problem of allocating a budget of system queries to feasible simple imputations (for investigating model instability) as a multi-armed bandit framework with probabilistic success metrics. We define two bandit problems for providing a probabilistic data minimization guarantee at a given confidence level: a decision problem given …
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Without positional information, attention-based Transformer neural networks are permutation-invariant. Absolute or relative positional embeddings are the most popular ways to feed Transformer models with positional information. Absolute positional embeddings are simple to implement, but suffer from generalization issues when evaluating on sequences longer than seen at training time. Relative positions are more robust to input length change, but are more complex to implement and yield inferior model throughput due to extra computational and memory costs. In this paper, we propose an augmentation-based approach (CAPE) for absolute positional embeddings, which keeps the advantages of both absolute (simplicity and speed) and relative positional embeddings (better generalization). In addition, our empirical evaluation on state-of-the-art models in machine translation, image and speech recognition demonstrates that CAPE leads to better generalization performance as well as increased stability with respect to training hyper-parameters.
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The goal of multi-task learning is to enable more efficient learning than single task learning by sharing model structures for a diverse set of tasks. A standard multi-task learning objective is to minimize the average loss across all tasks. While straightforward, using this objective often results in much worse final performance for each task than learning them independently. A major challenge in optimizing a multi-task model is the conflicting gradients, where gradients of different task objectives are not well aligned so that following the average gradient direction can be detrimental to specific tasks' performance. Previous work has proposed several heuristics to manipulate the task gradients for mitigating this problem. But most of them lack convergence guarantee and/or could converge to any Pareto-stationary point.In this paper, we introduce Conflict-Averse Gradient descent (CAGrad) which minimizes the average loss function, while leveraging the worst local improvement of individual tasks to regularize the algorithm trajectory. CAGrad balances the objectives automatically and still provably converges to a minimum over the average loss. It includes the regular gradient descent (GD) and the multiple gradient descent algorithm (MGDA) in the multi-objective optimization (MOO) literature as special cases. On a series of challenging multi-task supervised learning and reinforcement …
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State-of-the-art Graph Neural Networks (GNNs) have limited scalability with respect to the graph and model sizes. On large graphs, increasing the model depth often means exponential expansion of the scope (i.e., receptive field). Beyond just a few layers, two fundamental challenges emerge: 1. degraded expressivity due to oversmoothing, and 2. expensive computation due to neighborhood explosion. We propose a design principle to decouple the depth and scope of GNNs – to generate representation of a target entity (i.e., a node or an edge), we first extract a localized subgraph as the bounded-size scope, and then apply a GNN of arbitrary depth on top of the subgraph. A properly extracted subgraph consists of a small number of critical neighbors, while excluding irrelevant ones. The GNN, no matter how deep it is, smooths the local neighborhood into informative representation rather than oversmoothing the global graph into “white noise”. Theoretically, decoupling improves the GNN expressive power from the perspectives of graph signal processing (GCN), function approximation (GraphSAGE) and topological learning (GIN). Empirically, on seven graphs (with up to 110M nodes) and six backbone GNN architectures, our design achieves significant accuracy improvement with orders of magnitude reduction in computation and hardware cost.
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Bayesian optimization (BO) has recently been extended to the federated learning (FL) setting by the federated Thompson sampling (FTS) algorithm, which has promising applications such as federated hyperparameter tuning. However, FTS is not equipped with a rigorous privacy guarantee which is an important consideration in FL. Recent works have incorporated differential privacy (DP) into the training of deep neural networks through a general framework for adding DP to iterative algorithms. Following this general DP framework, our work here integrates DP into FTS to preserve user-level privacy. We also leverage the ability of this general DP framework to handle different parameter vectors, as well as the technique of local modeling for BO, to further improve the utility of our algorithm through distributed exploration (DE). The resulting differentially private FTS with DE (DP-FTS-DE) algorithm is endowed with theoretical guarantees for both the privacy and utility and is amenable to interesting theoretical insights about the privacy-utility trade-off. We also use real-world experiments to show that DP-FTS-DE achieves high utility (competitive performance) with a strong privacy guarantee (small privacy loss) and induces a trade-off between privacy and utility.
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We study a dynamic version of the implicit trace estimation problem. Given access to an oracle for computing matrix-vector multiplications with a dynamically changing matrix A, our goal is to maintain an accurate approximation to A's trace using as few multiplications as possible. We present a practical algorithm for solving this problem and prove that, in a natural setting, its complexity is quadratically better than the standard solution of repeatedly applying Hutchinson's stochastic trace estimator. We also provide an improved algorithm assuming additional common assumptions on A's dynamic updates. We support our theory with empirical results, showing significant computational improvements on three applications in machine learning and network science: tracking moments of the Hessian spectral density during neural network optimization, counting triangles and estimating natural connectivity in a dynamically changing graph.
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Efficient exploration in deep cooperative multi-agent reinforcement learning (MARL) still remains challenging in complex coordination problems. In this paper, we introduce a novel Episodic Multi-agent reinforcement learning with Curiosity-driven exploration, called EMC. We leverage an insight of popular factorized MARL algorithms that the ``induced" individual Q-values, i.e., the individual utility functions used for local execution, are the embeddings of local action-observation histories, and can capture the interaction between agents due to reward backpropagation during centralized training. Therefore, we use prediction errors of individual Q-values as intrinsic rewards for coordinated exploration and utilize episodic memory to exploit explored informative experience to boost policy training. As the dynamics of an agent's individual Q-value function captures the novelty of states and the influence from other agents, our intrinsic reward can induce coordinated exploration to new or promising states. We illustrate the advantages of our method by didactic examples, and demonstrate its significant outperformance over state-of-the-art MARL baselines on challenging tasks in the StarCraft II micromanagement benchmark.
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In second-order optimization, a potential bottleneck can be computing the Hessian matrix of the optimized function at every iteration. Randomized sketching has emerged as a powerful technique for constructing estimates of the Hessian which can be used to perform approximate Newton steps. This involves multiplication by a random sketching matrix, which introduces a trade-off between the computational cost of sketching and the convergence rate of the optimization. A theoretically desirable but practically much too expensive choice is to use a dense Gaussian sketching matrix, which produces unbiased estimates of the exact Newton step and offers strong problem-independent convergence guarantees. We show that the Gaussian matrix can be drastically sparsified, substantially reducing the computational cost, without affecting its convergence properties in any way. This approach, called Newton-LESS, is based on a recently introduced sketching technique: LEverage Score Sparsified (LESS) embeddings. We prove that Newton-LESS enjoys nearly the same problem-independent local convergence rate as Gaussian embeddings for a large class of functions. In particular, this leads to a new state-of-the-art convergence result for an iterative least squares solver. Finally, we substantially extend LESS embeddings to include uniformly sparsified random sign matrices which can be implemented efficiently and perform well in numerical experiments.
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Neural module networks (NMN) are a popular approach for solving multi-modal tasks such as visual question answering (VQA) and visual referring expression recognition (REF). A key limitation in prior implementations of NMN is that the neural modules do not effectively capture the association between the visual input and the relevant neighbourhood context of the textual input. This limits their generalizability. For instance, NMN fail to understand new concepts such as “yellow sphere to the left" even when it is a combination of known concepts from train data: “blue sphere", “yellow cube", and “metallic cube to the left". In this paper, we address this limitation by introducing a language-guided adaptive convolution layer (LG-Conv) into NMN, in which the filter weights of convolutions are explicitly multiplied with a spatially varying language-guided kernel. Our model allows the neural module to adaptively co-attend over potential objects of interest from the visual and textual inputs. Extensive experiments on VQA and REF tasks demonstrate the effectiveness of our approach. Additionally, we propose a new challenging out-of-distribution test split for REF task, which we call C3-Ref+, for explicitly evaluating the NMN’s ability to generalize well to adversarial perturbations and unseen combinations of known concepts. Experiments on C3-Ref+ …
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Safe exploration is a key to applying reinforcement learning (RL) in safety-critical systems. Existing safe exploration methods guaranteed safety under the assumption of regularity, and it has been difficult to apply them to large-scale real problems. We propose a novel algorithm, SPO-LF, that optimizes an agent's policy while learning the relation between a locally available feature obtained by sensors and environmental reward/safety using generalized linear function approximations. We provide theoretical guarantees on its safety and optimality. We experimentally show that our algorithm is 1) more efficient in terms of sample complexity and computational cost and 2) more applicable to large-scale problems than previous safe RL methods with theoretical guarantees, and 3) comparably sample-efficient and safer compared with existing advanced deep RL methods with safety constraints.
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We consider the problem of minimizing a convex function that is evolving in time according to unknown and possibly stochastic dynamics. Such problems abound in the machine learning and signal processing literature, under the names of concept drift and stochastic tracking. We provide novel non-asymptotic convergence guarantees for stochastic algorithms with iterate averaging, focusing on bounds valid both in expectation and with high probability. Notably, we show that the tracking efficiency of the proximal stochastic gradient method depends only logarithmically on the initialization quality when equipped with a step-decay schedule.
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Neural Architecture Search (NAS) often trains and evaluates a large number of architectures. Recent predictor-based NAS approaches attempt to alleviate such heavy computation costs with two key steps: sampling some architecture-performance pairs and fitting a proxy accuracy predictor. Given limited samples, these predictors, however, are far from accurate to locate top architectures due to the difficulty of fitting the huge search space. This paper reflects on a simple yet crucial question: if our final goal is to find the best architecture, do we really need to model the whole space well?. We propose a paradigm shift from fitting the whole architecture space using one strong predictor, to progressively fitting a search path towards the high-performance sub-space through a set of weaker predictors. As a key property of the weak predictors, their probabilities of sampling better architectures keep increasing. Hence we only sample a few well-performed architectures guided by the previously learned predictor and estimate a new better weak predictor. This embarrassingly easy framework, dubbed WeakNAS, produces coarse-to-fine iteration to gradually refine the ranking of sampling space. Extensive experiments demonstrate that WeakNAS costs fewer samples to find top-performance architectures on NAS-Bench-101 and NAS-Bench-201. Compared to state-of-the-art (SOTA) predictor-based NAS methods, WeakNAS …
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Operating in the real-world often requires agents to learn about a complex environment and apply this understanding to achieve a breadth of goals. This problem, known as goal-conditioned reinforcement learning (GCRL), becomes especially challenging for long-horizon goals. Current methods have tackled this problem by augmenting goal-conditioned policies with graph-based planning algorithms. However, they struggle to scale to large, high-dimensional state spaces and assume access to exploration mechanisms for efficiently collecting training data. In this work, we introduce Successor Feature Landmarks (SFL), a framework for exploring large, high-dimensional environments so as to obtain a policy that is proficient for any goal. SFL leverages the ability of successor features (SF) to capture transition dynamics, using it to drive exploration by estimating state-novelty and to enable high-level planning by abstracting the state-space as a non-parametric landmark-based graph. We further exploit SF to directly compute a goal-conditioned policy for inter-landmark traversal, which we use to execute plans to "frontier" landmarks at the edge of the explored state space. We show in our experiments on MiniGrid and ViZDoom that SFL enables efficient exploration of large, high-dimensional state spaces and outperforms state-of-the-art baselines on long-horizon GCRL tasks.
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Most state-of-the-art Graph Neural Networks (GNNs) can be defined as a form of graph convolution which can be realized by message passing between direct neighbors or beyond. To scale such GNNs to large graphs, various neighbor-, layer-, or subgraph-sampling techniques are proposed to alleviate the "neighbor explosion" problem by considering only a small subset of messages passed to the nodes in a mini-batch. However, sampling-based methods are difficult to apply to GNNs that utilize many-hops-away or global context each layer, show unstable performance for different tasks and datasets, and do not speed up model inference. We propose a principled and fundamentally different approach, VQ-GNN, a universal framework to scale up any convolution-based GNNs using Vector Quantization (VQ) without compromising the performance. In contrast to sampling-based techniques, our approach can effectively preserve all the messages passed to a mini-batch of nodes by learning and updating a small number of quantized reference vectors of global node representations, using VQ within each GNN layer. Our framework avoids the "neighbor explosion" problem of GNNs using quantized representations combined with a low-rank version of the graph convolution matrix. We show that such a compact low-rank version of the gigantic convolution matrix is sufficient both theoretically …

Graph neural networks (GNN) have recently emerged as a vehicle for applying deep network architectures to graph and relational data. However, given the increasing size of industrial datasets, in many practical situations, the message passing computations required for sharing information across GNN layers are no longer scalable. Although various sampling methods have been introduced to approximate full-graph training within a tractable budget, there remain unresolved complications such as high variances and limited theoretical guarantees. To address these issues, we build upon existing work and treat GNN neighbor sampling as a multi-armed bandit problem but with a newly-designed reward function that introduces some degree of bias designed to reduce variance and avoid unstable, possibly-unbounded pay outs. And unlike prior bandit-GNN use cases, the resulting policy leads to near-optimal regret while accounting for the GNN training dynamics introduced by SGD. From a practical standpoint, this translates into lower variance estimates and competitive or superior test accuracy across several benchmarks.

Combinatorial Optimization (CO) has been a long-standing challenging research topic featured by its NP-hard nature. Traditionally such problems are approximately solved with heuristic algorithms which are usually fast but may sacrifice the solution quality. Currently, machine learning for combinatorial optimization (MLCO) has become a trending research topic, but most existing MLCO methods treat CO as a single-level optimization by directly learning the end-to-end solutions, which are hard to scale up and mostly limited by the capacity of ML models given the high complexity of CO. In this paper, we propose a hybrid approach to combine the best of the two worlds, in which a bi-level framework is developed with an upper-level learning method to optimize the graph (e.g. add, delete or modify edges in a graph), fused with a lower-level heuristic algorithm solving on the optimized graph. Such a bi-level approach simplifies the learning on the original hard CO and can effectively mitigate the demand for model capacity. The experiments and results on several popular CO problems like Directed Acyclic Graph scheduling, Graph Edit Distance and Hamiltonian Cycle Problem show its effectiveness over manually designed heuristics and single-level learning methods.


Variational autoencoders (VAEs) are one of the powerful likelihood-based generative models with applications in many domains. However, they struggle to generate high-quality images, especially when samples are obtained from the prior without any tempering. One explanation for VAEs' poor generative quality is the prior hole problem: the prior distribution fails to match the aggregate approximate posterior. Due to this mismatch, there exist areas in the latent space with high density under the prior that do not correspond to any encoded image. Samples from those areas are decoded to corrupted images. To tackle this issue, we propose an energy-based prior defined by the product of a base prior distribution and a reweighting factor, designed to bring the base closer to the aggregate posterior. We train the reweighting factor by noise contrastive estimation, and we generalize it to hierarchical VAEs with many latent variable groups. Our experiments confirm that the proposed noise contrastive priors improve the generative performance of state-of-the-art VAEs by a large margin on the MNIST, CIFAR-10, CelebA 64, and CelebA HQ 256 datasets. Our method is simple and can be applied to a wide variety of VAEs to improve the expressivity of their prior distribution.
The success of graph neural networks (GNNs) largely relies on the process of aggregating information from neighbors defined by the input graph structures. Notably, message passing based GNNs, e.g., graph convolutional networks, leverage the immediate neighbors of each node during the aggregation process, and recently, graph diffusion convolution (GDC) is proposed to expand the propagation neighborhood by leveraging generalized graph diffusion. However, the neighborhood size in GDC is manually tuned for each graph by conducting grid search over the validation set, making its generalization practically limited. To address this issue, we propose the adaptive diffusion convolution (ADC) strategy to automatically learn the optimal neighborhood size from the data. Furthermore, we break the conventional assumption that all GNN layers and feature channels (dimensions) should use the same neighborhood for propagation. We design strategies to enable ADC to learn a dedicated propagation neighborhood for each GNN layer and each feature channel, making the GNN architecture fully coupled with graph structures---the unique property that differs GNNs from traditional neural networks. By directly plugging ADC into existing GNNs, we observe consistent and significant outperformance over both GDC and their vanilla versions across various datasets, demonstrating the improved model capacity brought by automatically learning unique …

Offline reinforcement learning (RL) defines the task of learning from a fixed batch of data. Due to errors in value estimation from out-of-distribution actions, most offline RL algorithms take the approach of constraining or regularizing the policy with the actions contained in the dataset. Built on pre-existing RL algorithms, modifications to make an RL algorithm work offline comes at the cost of additional complexity. Offline RL algorithms introduce new hyperparameters and often leverage secondary components such as generative models, while adjusting the underlying RL algorithm. In this paper we aim to make a deep RL algorithm work while making minimal changes. We find that we can match the performance of state-of-the-art offline RL algorithms by simply adding a behavior cloning term to the policy update of an online RL algorithm and normalizing the data. The resulting algorithm is a simple to implement and tune baseline, while more than halving the overall run time by removing the additional computational overheads of previous methods.


We study the problem of minimizing a convex function given by a zeroth order oracle that is possibly corrupted by {\em outlier noise}. Specifically, we assume the function values at some points of the domain are corrupted arbitrarily by an adversary, with the only restriction being that the total volume of corrupted points is bounded. The goal then is to find a point close to the function's minimizer using access to the corrupted oracle.We first prove a lower bound result showing that, somewhat surprisingly, one cannot hope to approximate the minimizer {\em nearly as well} as one might expect, even if one is allowed {\em an unbounded number} of queries to the oracle. Complementing this negative result, we then develop an efficient algorithm that outputs a point close to the minimizer of the convex function, where the specific distance matches {\em exactly}, up to constant factors, the distance bound shown in our lower bound result.
The emerging field of learning-augmented online algorithms uses ML techniques to predict future input parameters and thereby improve the performance of online algorithms. Since these parameters are, in general, real-valued functions, a natural approach is to use regression techniques to make these predictions. We introduce this approach in this paper, and explore it in the context of a general online search framework that captures classic problems like (generalized) ski rental, bin packing, minimum makespan scheduling, etc. We show nearly tight bounds on the sample complexity of this regression problem, and extend our results to the agnostic setting. From a technical standpoint, we show that the key is to incorporate online optimization benchmarks in the design of the loss function for the regression problem, thereby diverging from the use of off-the-shelf regression tools with standard bounds on statistical error.

The advancement of generative radiance fields has pushed the boundary of 3D-aware image synthesis. Motivated by the observation that a 3D object should look realistic from multiple viewpoints, these methods introduce a multi-view constraint as regularization to learn valid 3D radiance fields from 2D images. Despite the progress, they often fall short of capturing accurate 3D shapes due to the shape-color ambiguity, limiting their applicability in downstream tasks. In this work, we address this ambiguity by proposing a novel shading-guided generative implicit model that is able to learn a starkly improved shape representation. Our key insight is that an accurate 3D shape should also yield a realistic rendering under different lighting conditions. This multi-lighting constraint is realized by modeling illumination explicitly and performing shading with various lighting conditions. Gradients are derived by feeding the synthesized images to a discriminator. To compensate for the additional computational burden of calculating surface normals, we further devise an efficient volume rendering strategy via surface tracking, reducing the training and inference time by 24% and 48%, respectively. Our experiments on multiple datasets show that the proposed approach achieves photorealistic 3D-aware image synthesis while capturing accurate underlying 3D shapes. We demonstrate improved performance of our approach …

Associative memories in the brain receive and store patterns of activity registered by the sensory neurons, and are able to retrieve them when necessary. Due to their importance in human intelligence, computational models of associative memories have been developed for several decades now. In this paper, we present a novel neural model for realizing associative memories, which is based on a hierarchical generative network that receives external stimuli via sensory neurons. It is trained using predictive coding, an error-based learning algorithm inspired by information processing in the cortex. To test the model's capabilities, we perform multiple retrieval experiments from both corrupted and incomplete data points. In an extensive comparison, we show that this new model outperforms in retrieval accuracy and robustness popular associative memory models, such as autoencoders trained via backpropagation, and modern Hopfield networks. In particular, in completing partial data points, our model achieves remarkable results on natural image datasets, such as ImageNet, with a surprisingly high accuracy, even when only a tiny fraction of pixels of the original images is presented. Our model provides a plausible framework to study learning and retrieval of memories in the brain, as it closely mimics the behavior of the hippocampus as a …

We consider the problem of offline policy evaluation~(OPE) with Markov decision processes~(MDPs), where the goal is to estimate the utility of given decision-making policies based on static datasets. Recently, theoretical understanding of OPE has been rapidly advanced under (approximate) realizability assumptions, i.e., where the environments of interest are well approximated with the given hypothetical models. On the other hand, the OPE under unrealizability has not been well understood as much as in the realizable setting despite its importance in real-world applications.To address this issue, we study the behavior of a simple existing OPE method called the linear direct method~(DM) under the unrealizability. Consequently, we obtain an asymptotically exact characterization of the OPE error in a doubly robust form. Leveraging this result, we also establish the nonparametric consistency of the tile-coding estimators under quite mild assumptions.

Conditional Generative Adversarial Networks (cGANs) are implicit generative models which allow to sample from class-conditional distributions. Existing cGANs are based on a wide range of different discriminator designs and training objectives. One popular design in earlier works is to include a classifier during training with the assumption that good classifiers can help eliminate samples generated with wrong classes. Nevertheless, including classifiers in cGANs often comes with a side effect of only generating easy-to-classify samples. Recently, some representative cGANs avoid the shortcoming and reach state-of-the-art performance without having classifiers. Somehow it remains unanswered whether the classifiers can be resurrected to design better cGANs. In this work, we demonstrate that classifiers can be properly leveraged to improve cGANs. We start by using the decomposition of the joint probability distribution to connect the goals of cGANs and classification as a unified framework. The framework, along with a classic energy model to parameterize distributions, justifies the use of classifiers for cGANs in a principled manner. It explains several popular cGAN variants, such as ACGAN, ProjGAN, and ContraGAN, as special cases with different levels of approximations, which provides a unified view and brings new insights to understanding cGANs. Experimental results demonstrate that the design inspired …

Imbalanced datasets are commonplace in modern machine learning problems. The presence of under-represented classes or groups with sensitive attributes results in concerns about generalization and fairness. Such concerns are further exacerbated by the fact that large capacity deep nets can perfectly fit the training data and appear to achieve perfect accuracy and fairness during training, but perform poorly during test. To address these challenges, we propose AutoBalance, a bi-level optimization framework that automatically designs a training loss function to optimize a blend of accuracy and fairness-seeking objectives. Specifically, a lower-level problem trains the model weights, and an upper-level problem tunes the loss function by monitoring and optimizing the desired objective over the validation data. Our loss design enables personalized treatment for classes/groups by employing a parametric cross-entropy loss and individualized data augmentation schemes. We evaluate the benefits and performance of our approach for the application scenarios of imbalanced and group-sensitive classification. Extensive empirical evaluations demonstrate the benefits of AutoBalance over state-of-the-art approaches. Our experimental findings are complemented with theoretical insights on loss function design and the benefits of the train-validation split. All code is available open-source.

We study Bayesian automated mechanism design in unstructured dynamic environments, where a principal repeatedly interacts with an agent, and takes actions based on the strategic agent's report of the current state of the world. Both the principal and the agent can have arbitrary and potentially different valuations for the actions taken, possibly also depending on the actual state of the world. Moreover, at any time, the state of the world may evolve arbitrarily depending on the action taken by the principal. The goal is to compute an optimal mechanism which maximizes the principal's utility in the face of the self-interested strategic agent.We give an efficient algorithm for computing optimal mechanisms, with or without payments, under different individual-rationality constraints, when the time horizon is constant. Our algorithm is based on a sophisticated linear program formulation, which can be customized in various ways to accommodate richer constraints. For environments with large time horizons, we show that the principal's optimal utility is hard to approximate within a certain constant factor, complementing our algorithmic result. These results paint a relatively complete picture for automated dynamic mechanism design in unstructured environments. We further consider a special case of the problem where the agent is myopic, …

Recent studies have shown that deep neural networks (DNN) are vulnerable to various adversarial attacks. In particular, an adversary can inject a stealthy backdoor into a model such that the compromised model will behave normally without the presence of the trigger. Techniques for generating backdoor images that are visually imperceptible from clean images have also been developed recently, which further enhance the stealthiness of the backdoor attacks from the input space. Along with the development of attacks, defense against backdoor attacks is also evolving. Many existing countermeasures found that backdoor tends to leave tangible footprints in the latent or feature space, which can be utilized to mitigate backdoor attacks.In this paper, we extend the concept of imperceptible backdoor from the input space to the latent representation, which significantly improves the effectiveness against the existing defense mechanisms, especially those relying on the distinguishability between clean inputs and backdoor inputs in latent space. In the proposed framework, the trigger function will learn to manipulate the input by injecting imperceptible input noise while matching the latent representations of the clean and manipulated inputs via a Wasserstein-based regularization of the corresponding empirical distributions. We formulate such an objective as a non-convex and constrained optimization …


Learning from datasets without interaction with environments (Offline Learning) is an essential step to apply Reinforcement Learning (RL) algorithms in real-world scenarios.However, compared with the single-agent counterpart, offline multi-agent RL introduces more agents with the larger state and action space, which is more challenging but attracts little attention. We demonstrate current offline RL algorithms are ineffective in multi-agent systems due to the accumulated extrapolation error. In this paper, we propose a novel offline RL algorithm, named Implicit Constraint Q-learning (ICQ), which effectively alleviates the extrapolation error by only trusting the state-action pairs given in the dataset for value estimation. Moreover, we extend ICQ to multi-agent tasks by decomposing the joint-policy under the implicit constraint. Experimental results demonstrate that the extrapolation error is successfully controlled within a reasonable range and insensitive to the number of agents. We further show that ICQ achieves the state-of-the-art performance in the challenging multi-agent offline tasks (StarCraft II). Our code is public online at https://github.com/YiqinYang/ICQ.

Energy-based models (EBMs) provide an elegant framework for density estimation, but they are notoriously difficult to train. Recent work has established links to generative adversarial networks, where the EBM is trained through a minimax game with a variational value function. We propose a bidirectional bound on the EBM log-likelihood, such that we maximize a lower bound and minimize an upper bound when solving the minimax game. We link one bound to a gradient penalty that stabilizes training, thereby provide grounding for best engineering practice. To evaluate the bounds we develop a new and efficient estimator of the Jacobi-determinant of the EBM generator. We demonstrate that these developments stabilize training and yield high-quality density estimation and sample generation.

Models like LASSO and ridge regression are extensively used in practice due to their interpretability, ease of use, and strong theoretical guarantees. Cross-validation (CV) is widely used for hyperparameter tuning in these models, but do practical methods minimize the true out-of-sample loss? A recent line of research promises to show that the optimum of the CV loss matches the optimum of the out-of-sample loss (possibly after simple corrections). It remains to show how tractable it is to minimize the CV loss.In the present paper, we show that, in the case of ridge regression, the CV loss may fail to be quasiconvex and thus may have multiple local optima. We can guarantee that the CV loss is quasiconvex in at least one case: when the spectrum of the covariate matrix is nearly flat and the noise in the observed responses is not too high. More generally, we show that quasiconvexity status is independent of many properties of the observed data (response norm, covariate-matrix right singular vectors and singular-value scaling) and has a complex dependence on the few that remain. We empirically confirm our theory using simulated experiments.

Structural analysis methods (e.g., probing and feature attribution) are increasingly important tools for neural network analysis. We propose a new structural analysis method grounded in a formal theory of causal abstraction that provides rich characterizations of model-internal representations and their roles in input/output behavior. In this method, neural representations are aligned with variables in interpretable causal models, and then interchange interventions are used to experimentally verify that the neural representations have the causal properties of their aligned variables. We apply this method in a case study to analyze neural models trained on Multiply Quantified Natural Language Inference (MQNLI) corpus, a highly complex NLI dataset that was constructed with a tree-structured natural logic causal model. We discover that a BERT-based model with state-of-the-art performance successfully realizes parts of the natural logic model’s causal structure, whereas a simpler baseline model fails to show any such structure, demonstrating that neural representations encode the compositional structure of MQNLI examples.

Deep learning has enabled algorithms to generate realistic images. However, accurately predicting long video sequences requires understanding long-term dependencies and remains an open challenge. While existing video prediction models succeed at generating sharp images, they tend to fail at accurately predicting far into the future. We introduce the Clockwork VAE (CW-VAE), a video prediction model that leverages a hierarchy of latent sequences, where higher levels tick at slower intervals. We demonstrate the benefits of both hierarchical latents and temporal abstraction on 4 diverse video prediction datasets with sequences of up to 1000 frames, where CW-VAE outperforms top video prediction models. Additionally, we propose a Minecraft benchmark for long-term video prediction. We conduct several experiments to gain insights into CW-VAE and confirm that slower levels learn to represent objects that change more slowly in the video, and faster levels learn to represent faster objects.

Transformers have attracted increasing interests in computer vision, but they still fall behind state-of-the-art convolutional networks. In this work, we show that while Transformers tend to have larger model capacity, their generalization can be worse than convolutional networks due to the lack of the right inductive bias. To effectively combine the strengths from both architectures, we present CoAtNets(pronounced "coat" nets), a family of hybrid models built from two key insights: (1) depthwise Convolution and self-Attention can be naturally unified via simple relative attention; (2) vertically stacking convolution layers and attention layers in a principled way is surprisingly effective in improving generalization, capacity and efficiency. Experiments show that our CoAtNets achieve state-of-the-art performance under different resource constraints across various datasets: Without extra data, CoAtNet achieves 86.0% ImageNet top-1 accuracy; When pre-trained with 13M images from ImageNet-21K, our CoAtNet achieves 88.56% top-1 accuracy, matching ViT-huge pre-trained with 300M images from JFT-300M while using 23x less data; Notably, when we further scale up CoAtNet with JFT-3B, it achieves 90.88% top-1 accuracy on ImageNet, establishing a new state-of-the-art result.



Model-based reinforcement learning (RL) algorithms, which learn a dynamics model from logged experience and perform conservative planning under the learned model, have emerged as a promising paradigm for offline reinforcement learning (offline RL). However, practical variants of such model-based algorithms rely on explicit uncertainty quantification for incorporating conservatism. Uncertainty estimation with complex models, such as deep neural networks, can be difficult and unreliable. We empirically find that uncertainty estimation is not accurate and leads to poor performance in certain scenarios in offline model-based RL. We overcome this limitation by developing a new model-based offline RL algorithm, COMBO, that trains a value function using both the offline dataset and data generated using rollouts under the model while also additionally regularizing the value function on out-of-support state-action tuples generated via model rollouts. This results in a conservative estimate of the value function for out-of-support state-action tuples, without requiring explicit uncertainty estimation. Theoretically, we show that COMBO satisfies a policy improvement guarantee in the offline setting. Through extensive experiments, we find that COMBO attains greater performance compared to prior offline RL on problems that demand generalization to related but previously unseen tasks, and also consistently matches or outperforms prior offline RL methods on …

Many reinforcement learning (RL) problems in practice are offline, learning purely from observational data. A key challenge is how to ensure the learned policy is safe, which requires quantifying the risk associated with different actions. In the online setting, distributional RL algorithms do so by learning the distribution over returns (i.e., cumulative rewards) instead of the expected return; beyond quantifying risk, they have also been shown to learn better representations for planning. We proposeConservative Offline Distributional Actor Critic (CODAC), an offline RL algorithm suitable for both risk-neutral and risk-averse domains. CODAC adapts distributional RL to the offline setting by penalizing the predicted quantiles of the return for out-of-distribution actions. We prove that CODAC learns a conservative return distribution---in particular, for finite MDPs, CODAC converges to an uniform lower bound on the quantiles of the return distribution; our proof relies on a novel analysis of the distributional Bellman operator. In our experiments, on two challenging robot navigation tasks, CODAC successfully learns risk-averse policies using offline data collected purely from risk-neutral agents. Furthermore, CODAC is state-of-the-art on the D4RL MuJoCo benchmark in terms of both expected and risk-sensitive performance.


Partial observations of continuous time-series dynamics at arbitrary time stamps exist in many disciplines. Fitting this type of data using statistical models with continuous dynamics is not only promising at an intuitive level but also has practical benefits, including the ability to generate continuous trajectories and to perform inference on previously unseen time stamps. Despite exciting progress in this area, the existing models still face challenges in terms of their representational power and the quality of their variational approximations. We tackle these challenges with continuous latent process flows (CLPF), a principled architecture decoding continuous latent processes into continuous observable processes using a time-dependent normalizing flow driven by a stochastic differential equation. To optimize our model using maximum likelihood, we propose a novel piecewise construction of a variational posterior process and derive the corresponding variational lower bound using trajectory re-weighting. Our ablation studies demonstrate the effectiveness of our contributions in various inference tasks on irregular time grids. Comparisons to state-of-the-art baselines show our model's favourable performance on both synthetic and real-world time-series data.

The mutually-exciting Hawkes process (ME-HP) is a natural choice to model reciprocity, which is an important attribute of continuous-time edge (dyadic) data. However, existing ways of implementing the ME-HP for such data are either inflexible, as the exogenous (background) rate functions are typically constant and the endogenous (excitation) rate functions are specified parametrically, or inefficient, as inference usually relies on Markov chain Monte Carlo methods with high computational costs. To address these limitations, we discuss various approaches to model design, and develop three variants of non-parametric point processes for continuous-time edge modelling (CTEM). The resulting models are highly adaptable as they generate intensity functions through sigmoidal Gaussian processes, and so provide greater modelling flexibility than parametric forms. The models are implemented via a fast variational inference method enabled by a novel edge modelling construction. The superior performance of the proposed CTEM models is demonstrated through extensive experimental evaluations on four real-world continuous-time edge data sets.

Self-supervised disentangled representation learning is a critical task in sequence modeling. The learnt representations contribute to better model interpretability as well as the data generation, and improve the sample efficiency for downstream tasks. We propose a novel sequence representation learning method, named Contrastively Disentangled Sequential Variational Autoencoder (C-DSVAE), to extract and separate the static (time-invariant) and dynamic (time-variant) factors in the latent space. Different from previous sequential variational autoencoder methods, we use a novel evidence lower bound which maximizes the mutual information between the input and the latent factors, while penalizes the mutual information between the static and dynamic factors. We leverage contrastive estimations of the mutual information terms in training, together with simple yet effective augmentation techniques, to introduce additional inductive biases. Our experiments show that C-DSVAE significantly outperforms the previous state-of-the-art methods on multiple metrics.

We propose a novel training method that integrates rules into deep learning, in a way the strengths of the rules are controllable at inference. Deep Neural Networks with Controllable Rule Representations (DeepCTRL) incorporates a rule encoder into the model coupled with a rule-based objective, enabling a shared representation for decision making. DeepCTRL is agnostic to data type and model architecture. It can be applied to any kind of rule defined for inputs and outputs. The key aspect of DeepCTRL is that it does not require retraining to adapt the rule strength -- at inference, the user can adjust it based on the desired operation point on accuracy vs. rule verification ratio. In real-world domains where incorporating rules is critical -- such as Physics, Retail and Healthcare -- we show the effectiveness of DeepCTRL in teaching rules for deep learning. DeepCTRL improves the trust and reliability of the trained models by significantly increasing their rule verification ratio, while also providing accuracy gains at downstream tasks. Additionally, DeepCTRL enables novel use cases such as hypothesis testing of the rules on data samples, and unsupervised adaptation based on shared rules between datasets.

Stochastic gradient descent with backpropagation is the workhorse of artificial neural networks. It has long been recognized that backpropagation fails to be a biologically plausible algorithm. Fundamentally, it is a non-local procedure---updating one neuron's synaptic weights requires knowledge of synaptic weights or receptive fields of downstream neurons. This limits the use of artificial neural networks as a tool for understanding the biological principles of information processing in the brain. Lillicrap et al. (2016) propose a more biologically plausible "feedback alignment" algorithm that uses random and fixed backpropagation weights, and show promising simulations. In this paper we study the mathematical properties of the feedback alignment procedure by analyzing convergence and alignment for two-layer networks under squared error loss. In the overparameterized setting, we prove that the error converges to zero exponentially fast, and also that regularization is necessary in order for the parameters to become aligned with the random backpropagation weights. Simulations are given that are consistent with this analysis and suggest further generalizations. These results contribute to our understanding of how biologically plausible algorithms might carry out weight learning in a manner different from Hebbian learning, with performance that is comparable with the full non-local backpropagation algorithm.

The effectiveness of machine learning algorithms arises from being able to extract useful features from large amounts of data. As model and dataset sizes increase, dataset distillation methods that compress large datasets into significantly smaller yet highly performant ones will become valuable in terms of training efficiency and useful feature extraction. To that end, we apply a novel distributed kernel-based meta-learning framework to achieve state-of-the-art results for dataset distillation using infinitely wide convolutional neural networks. For instance, using only 10 datapoints (0.02% of original dataset), we obtain over 65% test accuracy on CIFAR-10 image classification task, a dramatic improvement over the previous best test accuracy of 40%. Our state-of-the-art results extend across many other settings for MNIST, Fashion-MNIST, CIFAR-10, CIFAR-100, and SVHN. Furthermore, we perform some preliminary analyses of our distilled datasets to shed light on how they differ from naturally occurring data.

Sharing forecasts of network timeseries data, such as cellular or electricity load patterns, can improve independent control applications ranging from traffic scheduling to power generation. Typically, forecasts are designed without knowledge of a downstream controller's task objective, and thus simply optimize for mean prediction error. However, such task-agnostic representations are often too large to stream over a communication network and do not emphasize salient temporal features for cooperative control. This paper presents a solution to learn succinct, highly-compressed forecasts that are co-designed with a modular controller's task objective. Our simulations with real cellular, Internet-of-Things (IoT), and electricity load data show we can improve a model predictive controller's performance by at least 25% while transmitting 80% less data than the competing method. Further, we present theoretical compression results for a networked variant of the classical linear quadratic regulator (LQR) control problem.

In this paper, we consider an inverse problem in graph learning domain -- "given the graph representations smoothed by Graph Convolutional Network (GCN), how can we reconstruct the input graph signal?" We propose Graph Deconvolutional Network (GDN) and motivate the design of GDN via a combination of inverse filters in spectral domain and de-noising layers in wavelet domain, as the inverse operation results in a high frequency amplifier and may amplify the noise. We demonstrate the effectiveness of the proposed method on several tasks including graph feature imputation and graph structure generation.

Attribute extrapolation in sample generation is challenging for deep neural networks operating beyond the training distribution. We formulate a new task for extrapolation in sequence generation, focusing on natural language and proteins, and propose GENhance, a generative framework that enhances attributes through a learned latent space. Trained on movie reviews and a computed protein stability dataset, GENhance can generate strongly-positive text reviews and highly stable protein sequences without being exposed to similar data during training. We release our benchmark tasks and models to contribute to the study of generative modeling extrapolation and data-driven design in biology and chemistry.

Modern convolutional neural networks (CNNs) have massive identical convolution blocks, and, hence, recursive sharing of parameters across these blocks has been proposed to reduce the amount of parameters. However, naive sharing of parameters poses many challenges such as limited representational power and the vanishing/exploding gradients problem of recursively shared parameters. In this paper, we present a recursive convolution block design and training method, in which a recursively shareable part, or a filter basis, is separated and learned while effectively avoiding the vanishing/exploding gradients problem during training. We show that the unwieldy vanishing/exploding gradients problem can be controlled by enforcing the elements of the filter basis orthonormal, and empirically demonstrate that the proposed orthogonality regularization improves the flow of gradients during training. Experimental results on image classification and object detection show that our approach, unlike previous parameter-sharing approaches, does not trade performance to save parameters and consistently outperforms over parameterized counterpart networks. This superior performance demonstrates that the proposed recursive convolution block design and the orthogonality regularization not only prevent performance degradation, but also consistently improve the representation capability while a significant amount of parameters are recursively shared.
This paper introduces deep synoptic Monte Carlo planning (DSMCP) for large imperfect information games. The algorithm constructs a belief state with an unweighted particle filter and plans via playouts that start at samples drawn from the belief state. The algorithm accounts for uncertainty by performing inference on "synopses," a novel stochastic abstraction of information states. DSMCP is the basis of the program Penumbra, which won the official 2020 reconnaissance blind chess competition versus 33 other programs. This paper also evaluates algorithm variants that incorporate caution, paranoia, and a novel bandit algorithm. Furthermore, it audits the synopsis features used in Penumbra with per-bit saliency statistics.

We consider the challenging problem of predicting intrinsic object properties from a single image by exploiting differentiable renderers. Many previous learning-based approaches for inverse graphics adopt rasterization-based renderers and assume naive lighting and material models, which often fail to account for non-Lambertian, specular reflections commonly observed in the wild. In this work, we propose DIBR++, a hybrid differentiable renderer which supports these photorealistic effects by combining rasterization and ray-tracing, taking the advantage of their respective strengths---speed and realism. Our renderer incorporates environmental lighting and spatially-varying material models to efficiently approximate light transport, either through direct estimation or via spherical basis functions. Compared to more advanced physics-based differentiable renderers leveraging path tracing, DIBR++ is highly performant due to its compact and expressive shading model, which enables easy integration with learning frameworks for geometry, reflectance and lighting prediction from a single image without requiring any ground-truth. We experimentally demonstrate that our approach achieves superior material and lighting disentanglement on synthetic and real data compared to existing rasterization-based approaches and showcase several artistic applications including material editing and relighting.

Existing approaches for training neural networks with user-level differential privacy (e.g., DP Federated Averaging) in federated learning (FL) settings involve bounding the contribution of each user's model update by {\em clipping} it to some constant value. However there is no good {\em a priori} setting of the clipping norm across tasks and learning settings: the update norm distribution depends on the model architecture and loss, the amount of data on each device, the client learning rate, and possibly various other parameters. We propose a method wherein instead of a fixed clipping norm, one clips to a value at a specified quantile of the update norm distribution, where the value at the quantile is itself estimated online, with differential privacy. The method tracks the quantile closely, uses a negligible amount of privacy budget, is compatible with other federated learning technologies such as compression and secure aggregation, and has a straightforward joint DP analysis with DP-FedAvg. Experiments demonstrate that adaptive clipping to the median update norm works well across a range of federated learning tasks, eliminating the need to tune any clipping hyperparameter.


In this work we consider the problem of releasing a differentially private statistical summary that resides on a Riemannian manifold. We present an extension of the Laplace or K-norm mechanism that utilizes intrinsic distances and volumes on the manifold. We also consider in detail the specific case where the summary is the Fr\'echet mean of data residing on a manifold. We demonstrate that our mechanism is rate optimal and depends only on the dimension of the manifold, not on the dimension of any ambient space, while also showing how ignoring the manifold structure can decrease the utility of the sanitized summary. We illustrate our framework in two examples of particular interest in statistics: the space of symmetric positive definite matrices, which is used for covariance matrices, and the sphere, which can be used as a space for modeling discrete distributions.
Progressively applying Gaussian noise transforms complex data distributions to approximately Gaussian. Reversing this dynamic defines a generative model. When the forward noising process is given by a Stochastic Differential Equation (SDE), Song et al (2021) demonstrate how the time inhomogeneous drift of the associated reverse-time SDE may be estimated using score-matching. A limitation of this approach is that the forward-time SDE must be run for a sufficiently long time for the final distribution to be approximately Gaussian. In contrast, solving the Schrödinger Bridge (SB) problem, i.e. an entropy-regularized optimal transport problem on path spaces, yields diffusions which generate samples from the data distribution in finite time. We present Diffusion SB (DSB), an original approximation of the Iterative Proportional Fitting (IPF) procedure to solve the SB problem, and provide theoretical analysis along with generative modeling experiments. The first DSB iteration recovers the methodology proposed by Song et al. (2021), with the flexibility of using shorter time intervals, as subsequent DSB iterations reduce the discrepancy between the final-time marginal of the forward (resp. backward) SDE with respect to the prior (resp. data) distribution. Beyond generative modeling, DSB offers a widely applicable computational optimal transport tool as the continuous state-space analogue of the …
We seek an entropy estimator for discrete distributions with fully empirical accuracy bounds. As stated, this goal is infeasible without some prior assumptions on the distribution. We discover that a certain information moment assumption renders the problem feasible. We argue that the moment assumption is natural and, in some sense, {\em minimalistic} --- weaker than finite support or tail decay conditions. Under the moment assumption, we provide the first finite-sample entropy estimates for infinite alphabets, nearly recovering the known minimax rates. Moreover, we demonstrate that our empirical bounds are significantly sharper than the state-of-the-art bounds, for various natural distributions and non-trivial sample regimes. Along the way, we give a dimension-free analogue of the Cover-Thomas result on entropy continuity (with respect to total variation distance) for finite alphabets, which may be of independent interest.

How can artificial agents learn to solve many diverse tasks in complex visual environments without any supervision? We decompose this question into two challenges: discovering new goals and learning to reliably achieve them. Our proposed agent, Latent Explorer Achiever (LEXA), addresses both challenges by learning a world model from image inputs and using it to train an explorer and an achiever policy via imagined rollouts. Unlike prior methods that explore by reaching previously visited states, the explorer plans to discover unseen surprising states through foresight, which are then used as diverse targets for the achiever to practice. After the unsupervised phase, LEXA solves tasks specified as goal images zero-shot without any additional learning. LEXA substantially outperforms previous approaches to unsupervised goal reaching, both on prior benchmarks and on a new challenging benchmark with 40 test tasks spanning across four robotic manipulation and locomotion domains. LEXA further achieves goals that require interacting with multiple objects in sequence. Project page: https://orybkin.github.io/lexa/

Graph Convolutional Networks (GCNs) have attracted more and more attentions in recent years. A typical GCN layer consists of a linear feature propagation step and a nonlinear transformation step. Recent works show that a linear GCN can achieve comparable performance to the original non-linear GCN while being much more computationally efficient. In this paper, we dissect the feature propagation steps of linear GCNs from a perspective of continuous graph diffusion, and analyze why linear GCNs fail to benefit from more propagation steps. Following that, we propose Decoupled Graph Convolution (DGC) that decouples the terminal time and the feature propagation steps, making it more flexible and capable of exploiting a very large number of feature propagation steps. Experiments demonstrate that our proposed DGC improves linear GCNs by a large margin and makes them competitive with many modern variants of non-linear GCNs.


The spectacular success of deep generative models calls for quantitative tools to measure their statistical performance. Divergence frontiers have recently been proposed as an evaluation framework for generative models, due to their ability to measure the quality-diversity trade-off inherent to deep generative modeling. We establish non-asymptotic bounds on the sample complexity of divergence frontiers. We also introduce frontier integrals which provide summary statistics of divergence frontiers. We show how smoothed estimators such as Good-Turing or Krichevsky-Trofimov can overcome the missing mass problem and lead to faster rates of convergence. We illustrate the theoretical results with numerical examples from natural language processing and computer vision.

Neural pruning is a widely-used compression technique for Deep Neural Networks (DNNs). Recent innovations in Hardware Architectures (e.g. Nvidia Ampere Sparse Tensor Core) and N:M fine-grained Sparse Neural Network algorithms (i.e. every M-weights contains N non-zero values) reveal a promising research line of neural pruning. However, the existing N:M algorithms only address the challenge of how to train N:M sparse neural networks in a uniform fashion (i.e. every layer has the same N:M sparsity) and suffer from a significant accuracy drop for high sparsity (i.e. when sparsity > 80\%). To tackle this problem, we present a novel technique -- \textbf{\textit{DominoSearch}} to find mixed N:M sparsity schemes from pre-trained dense deep neural networks to achieve higher accuracy than the uniform-sparsity scheme with equivalent complexity constraints (e.g. model size or FLOPs). For instance, for the same model size with 2.1M parameters (87.5\% sparsity), our layer-wise N:M sparse ResNet18 outperforms its uniform counterpart by 2.1\% top-1 accuracy, on the large-scale ImageNet dataset. For the same computational complexity of 227M FLOPs, our layer-wise sparse ResNet18 outperforms the uniform one by 1.3\% top-1 accuracy. Furthermore, our layer-wise fine-grained N:M sparse ResNet50 achieves 76.7\% top-1 accuracy with 5.0M parameters. {This is competitive to the results achieved …

COVID-19 pandemic has caused unprecedented negative impacts on our society, including further exposing inequity and disparity in public health. To study the impact of socioeconomic factors on COVID transmission, we first propose a spatial-temporal model to examine the socioeconomic heterogeneity and spatial correlation of COVID-19 transmission at the community level. Second, to assess the individual risk of severe COVID-19 outcomes after a positive diagnosis, we propose a dynamic, varying-coefficient model that integrates individual-level risk factors from electronic health records (EHRs) with community-level risk factors. The underlying neighborhood prevalence of infections (both symptomatic and pre-symptomatic) predicted from the previous spatial-temporal model is included in the individual risk assessment so as to better capture the background risk of virus exposure for each individual. We design a weighting scheme to mitigate multiple selection biases inherited in EHRs of COVID patients. We analyze COVID transmission data in New York City (NYC, the epicenter of the first surge in the United States) and EHRs from NYC hospitals, where time-varying effects of community risk factors and significant interactions between individual- and community-level risk factors are detected. By examining the socioeconomic disparity of infection risks and interaction among the risk factors, our methods can assist public health …

Most existing works in few-shot learning rely on meta-learning the network on a large base dataset which is typically from the same domain as the target dataset. We tackle the problem of cross-domain few-shot learning where there is a large shift between the base and target domain. The problem of cross-domain few-shot recognition with unlabeled target data is largely unaddressed in the literature. STARTUP was the first method that tackles this problem using self-training. However, it uses a fixed teacher pretrained on a labeled base dataset to create soft labels for the unlabeled target samples. As the base dataset and unlabeled dataset are from different domains, projecting the target images in the class-domain of the base dataset with a fixed pretrained model might be sub-optimal. We propose a simple dynamic distillation-based approach to facilitate unlabeled images from the novel/base dataset. We impose consistency regularization by calculating predictions from the weakly-augmented versions of the unlabeled images from a teacher network and matching it with the strongly augmented versions of the same images from a student network. The parameters of the teacher network are updated as exponential moving average of the parameters of the student network. We show that the proposed network …
Modern neural network architectures can leverage large amounts of data to generalize well within the training distribution. However, they are less capable of systematic generalization to data drawn from unseen but related distributions, a feat that is hypothesized to require compositional reasoning and reuse of knowledge. In this work, we present Neural Interpreters, an architecture that factorizes inference in a self-attention network as a system of modules, which we call functions. Inputs to the model are routed through a sequence of functions in a way that is end-to-end learned. The proposed architecture can flexibly compose computation along width and depth, and lends itself well to capacity extension after training. To demonstrate the versatility of Neural Interpreters, we evaluate it in two distinct settings: image classification and visual abstract reasoning on Raven Progressive Matrices. In the former, we show that Neural Interpreters perform on par with the vision transformer using fewer parameters, while being transferrable to a new task in a sample efficient manner. In the latter, we find that Neural Interpreters are competitive with respect to the state-of-the-art in terms of systematic generalization.

In this work, we propose a unified framework, called Visual Reasoning with Differ-entiable Physics (VRDP), that can jointly learn visual concepts and infer physics models of objects and their interactions from videos and language. This is achieved by seamlessly integrating three components: a visual perception module, a concept learner, and a differentiable physics engine. The visual perception module parses each video frame into object-centric trajectories and represents them as latent scene representations. The concept learner grounds visual concepts (e.g., color, shape, and material) from these object-centric representations based on the language, thus providing prior knowledge for the physics engine. The differentiable physics model, implemented as an impulse-based differentiable rigid-body simulator, performs differentiable physical simulation based on the grounded concepts to infer physical properties, such as mass, restitution, and velocity, by fitting the simulated trajectories into the video observations. Consequently, these learned concepts and physical models can explain what we have seen and imagine what is about to happen in future and counterfactual scenarios. Integrating differentiable physics into the dynamic reasoning framework offers several appealing benefits. More accurate dynamics prediction in learned physics models enables state-of-the-art performance on both synthetic and real-world benchmarks while still maintaining high transparency and interpretability; most …


Multi-task learning can leverage information learned by one task to benefit the training of other tasks. Despite this capacity, naively training all tasks together in one model often degrades performance, and exhaustively searching through combinations of task groupings can be prohibitively expensive. As a result, efficiently identifying the tasks that would benefit from training together remains a challenging design question without a clear solution. In this paper, we suggest an approach to select which tasks should train together in multi-task learning models. Our method determines task groupings in a single run by training all tasks together and quantifying the effect to which one task's gradient would affect another task's loss. On the large-scale Taskonomy computer vision dataset, we find this method can decrease test loss by 10.0% compared to simply training all tasks together while operating 11.6 times faster than a state-of-the-art task grouping method.


Sparse training is a natural idea to accelerate the training speed of deep neural networks and save the memory usage, especially since large modern neural networks are significantly over-parameterized. However, most of the existing methods cannot achieve this goal in practice because the chain rule based gradient (w.r.t. structure parameters) estimators adopted by previous methods require dense computation at least in the backward propagation step. This paper solves this problem by proposing an efficient sparse training method with completely sparse forward and backward passes. We first formulate the training process as a continuous minimization problem under global sparsity constraint. We then separate the optimization process into two steps, corresponding to weight update and structure parameter update. For the former step, we use the conventional chain rule, which can be sparse via exploiting the sparse structure. For the latter step, instead of using the chain rule based gradient estimators as in existing methods, we propose a variance reduced policy gradient estimator, which only requires two forward passes without backward propagation, thus achieving completely sparse training. We prove that the variance of our gradient estimator is bounded. Extensive experimental results on real-world datasets demonstrate that compared to previous methods, our algorithm is …

We quantify the robustness of a trained network to input uncertainties with a stochastic simulation inspired by the field of Statistical Reliability Engineering. The robustness assessment is cast as a statistical hypothesis test: the network is deemed as locally robust if the estimated probability of failure is lower than a critical level.The procedure is based on an Importance Splitting simulation generating samples of rare events. We derive theoretical guarantees that are non-asymptotic w.r.t. sample size. Experiments tackling large scale networks outline the efficiency of our method making a low number of calls to the network function.

Understanding the structure of loss landscape of deep neural networks (DNNs) is obviously important. In this work, we prove an embedding principle that the loss landscape of a DNN "contains" all the critical points of all the narrower DNNs. More precisely, we propose a critical embedding such that any critical point, e.g., local or global minima, of a narrower DNN can be embedded to a critical point/affine subspace of the target DNN with higher degeneracy and preserving the DNN output function. Note that, given any training data, differentiable loss function and differentiable activation function, this embedding structure of critical points holds.This general structure of DNNs is starkly different from other nonconvex problems such as protein-folding.Empirically, we find that a wide DNN is often attracted by highly-degenerate critical points that are embedded from narrow DNNs. The embedding principle provides a new perspective to study the general easy optimization of wide DNNs and unravels a potential implicit low-complexity regularization during the training.Overall, our work provides a skeleton for the study of loss landscape of DNNs and its implication, by which a more exact and comprehensive understanding can be anticipated in the near future.

Both the design and control of a robot play equally important roles in its task performance. However, while optimal control is well studied in the machine learning and robotics community, less attention is placed on finding the optimal robot design. This is mainly because co-optimizing design and control in robotics is characterized as a challenging problem, and more importantly, a comprehensive evaluation benchmark for co-optimization does not exist. In this paper, we propose Evolution Gym, the first large-scale benchmark for co-optimizing the design and control of soft robots. In our benchmark, each robot is composed of different types of voxels (e.g., soft, rigid, actuators), resulting in a modular and expressive robot design space. Our benchmark environments span a wide range of tasks, including locomotion on various types of terrains and manipulation. Furthermore, we develop several robot co-evolution algorithms by combining state-of-the-art design optimization methods and deep reinforcement learning techniques. Evaluating the algorithms on our benchmark platform, we observe robots exhibiting increasingly complex behaviors as evolution progresses, with the best evolved designs solving many of our proposed tasks. Additionally, even though robot designs are evolved autonomously from scratch without prior knowledge, they often grow to resemble existing natural creatures while outperforming …

To measure the difference between two probability distributions, referred to as the source and target, respectively, we exploit both the chain rule and Bayes' theorem to construct conditional transport (CT), which is constituted by both a forward component and a backward one. The forward CT is the expected cost of moving a source data point to a target one, with their joint distribution defined by the product of the source probability density function (PDF) and a source-dependent conditional distribution, which is related to the target PDF via Bayes' theorem. The backward CT is defined by reversing the direction. The CT cost can be approximated by replacing the source and target PDFs with their discrete empirical distributions supported on mini-batches, making it amenable to implicit distributions and stochastic gradient descent-based optimization. When applied to train a generative model, CT is shown to strike a good balance between mode-covering and mode-seeking behaviors and strongly resist mode collapse. On a wide variety of benchmark datasets for generative modeling, substituting the default statistical distance of an existing generative adversarial network with CT is shown to consistently improve the performance. PyTorch code is provided.

We study risk-sensitive reinforcement learning (RL) based on the entropic risk measure. Although existing works have established non-asymptotic regret guarantees for this problem, they leave open an exponential gap between the upper and lower bounds. We identify the deficiencies in existing algorithms and their analysis that result in such a gap. To remedy these deficiencies, we investigate a simple transformation of the risk-sensitive Bellman equations, which we call the exponential Bellman equation. The exponential Bellman equation inspires us to develop a novel analysis of Bellman backup procedures in risk-sensitive RL algorithms, and further motivates the design of a novel exploration mechanism. We show that these analytic and algorithmic innovations together lead to improved regret upper bounds over existing ones.

Despite the advances in extracting local features achieved by handcrafted and learning-based descriptors, they are still limited by the lack of invariance to non-rigid transformations. In this paper, we present a new approach to compute features from still images that are robust to non-rigid deformations to circumvent the problem of matching deformable surfaces and objects. Our deformation-aware local descriptor, named DEAL, leverages a polar sampling and a spatial transformer warping to provide invariance to rotation, scale, and image deformations. We train the model architecture end-to-end by applying isometric non-rigid deformations to objects in a simulated environment as guidance to provide highly discriminative local features. The experiments show that our method outperforms state-of-the-art handcrafted, learning-based image, and RGB-D descriptors in different datasets with both real and realistic synthetic deformable objects in still images. The source code and trained model of the descriptor are publicly available at https://www.verlab.dcc.ufmg.br/descriptors/neurips2021.


Existing bias mitigation methods for DNN models primarily work on learning debiased encoders. This process not only requires a lot of instance-level annotations for sensitive attributes, it also does not guarantee that all fairness sensitive information has been removed from the encoder. To address these limitations, we explore the following research question: Can we reduce the discrimination of DNN models by only debiasing the classification head, even with biased representations as inputs? To this end, we propose a new mitigation technique, namely, Representation Neutralization for Fairness (RNF) that achieves fairness by debiasing only the task-specific classification head of DNN models. To this end, we leverage samples with the same ground-truth label but different sensitive attributes, and use their neutralized representations to train the classification head of the DNN model. The key idea of RNF is to discourage the classification head from capturing spurious correlation between fairness sensitive information in encoder representations with specific class labels. To address low-resource settings with no access to sensitive attribute annotations, we leverage a bias-amplified model to generate proxy annotations for sensitive attributes. Experimental results over several benchmark datasets demonstrate our RNF framework to effectively reduce discrimination of DNN models with minimal degradation in task-specific …

We consider a selection problem where sequentially arrived applicants apply for a limited number of positions/jobs. At each time step, a decision maker accepts or rejects the given applicant using a pre-trained supervised learning model until all the vacant positions are filled. In this paper, we discuss whether the fairness notions (e.g., equal opportunity, statistical parity, etc.) that are commonly used in classification problems are suitable for the sequential selection problems. In particular, we show that even with a pre-trained model that satisfies the common fairness notions, the selection outcomes may still be biased against certain demographic groups. This observation implies that the fairness notions used in classification problems are not suitable for a selection problem where the applicants compete for a limited number of positions. We introduce a new fairness notion, ``Equal Selection (ES),'' suitable for sequential selection problems and propose a post-processing approach to satisfy the ES fairness notion. We also consider a setting where the applicants have privacy concerns, and the decision maker only has access to the noisy version of sensitive attributes. In this setting, we can show that the \textit{perfect} ES fairness can still be attained under certain conditions.

Gaussian Cox processes are widely-used point process models that use a Gaussian process to describe the Bayesian a priori uncertainty present in latent intensity functions. In this paper, we propose a novel Bayesian inference scheme for Gaussian Cox processes by exploiting a conceptually-intuitive {¥it path integral} formulation. The proposed scheme does not rely on domain discretization, scales linearly with the number of observed events, has a lower complexity than the state-of-the-art variational Bayesian schemes with respect to the number of inducing points, and is applicable to a wide range of Gaussian Cox processes with various types of link functions. Our scheme is especially beneficial under the multi-dimensional input setting, where the number of inducing points tends to be large. We evaluate our scheme on synthetic and real-world data, and show that it achieves comparable predictive accuracy while being tens of times faster than reference methods.

We present a novel method for reducing the computational complexity of rigorously estimating the partition functions of Gibbs (or Boltzmann) distributions, which arise ubiquitously in probabilistic graphical models. A major obstacle to applying the Gibbs distribution in practice is the need to estimate their partition function (normalizing constant). The state of the art in addressing this problem is multi-stage algorithms which consist of a cooling schedule and a mean estimator in each step of the schedule. While the cooling schedule in these algorithms is adaptive, the mean estimate computations use MCMC as a black-box to draw approximately-independent samples. Here we develop a doubly adaptive approach, combining the adaptive cooling schedule with an adaptive MCMC mean estimator, whose number of Markov chain steps adapts dynamically to the underlying chain. Through rigorous theoretical analysis, we prove that our method outperforms the state of the art algorithms in several factors: (1) The computational complexity of our method is smaller; (2) Our method is less sensitive to loose bounds on mixing times, an inherent components in these algorithms; and (3) The improvement obtained by our method is particularly significant in the most challenging regime of high precision estimates. We demonstrate the advantage of our …


This paper investigates the problem of computing the equilibrium of competitive games, which is often modeled as a constrained saddle-point optimization problem with probability simplex constraints. Despite recent efforts in understanding the last-iterate convergence of extragradient methods in the unconstrained setting, the theoretical underpinnings of these methods in the constrained settings, especially those using multiplicative updates, remain highly inadequate, even when the objective function is bilinear. Motivated by the algorithmic role of entropy regularization in single-agent reinforcement learning and game theory, we develop provably efficient extragradient methods to find the quantal response equilibrium (QRE)---which are solutions to zero-sum two-player matrix games with entropy regularization---at a linear rate. The proposed algorithms can be implemented in a decentralized manner, where each player executes symmetric and multiplicative updates iteratively using its own payoff without observing the opponent's actions directly. In addition, by controlling the knob of entropy regularization, the proposed algorithms can locate an approximate Nash equilibrium of the unregularized matrix game at a sublinear rate without assuming the Nash equilibrium to be unique. Our methods also lead to efficient policy extragradient algorithms for solving entropy-regularized zero-sum Markov games at a linear rate. All of our convergence rates are nearly dimension-free, which are …

The stochastic compositional optimization problem covers a wide range of machine learning models, such as sparse additive models and model-agnostic meta-learning. Thus, it is necessary to develop efficient methods for its optimization. Existing methods for the stochastic compositional optimization problem only focus on the single machine scenario, which is far from satisfactory when data are distributed on different devices. To address this problem, we propose novel decentralized stochastic compositional gradient descent methods to efficiently train the large-scale stochastic compositional optimization problem. To the best of our knowledge, our work is the first one facilitating decentralized training for this kind of problem. Furthermore, we provide the convergence analysis for our methods, which shows that the convergence rate of our methods can achieve linear speedup with respect to the number of devices. At last, we apply our decentralized training methods to the model-agnostic meta-learning problem, and the experimental results confirm the superior performance of our methods.

We develop two new algorithms, called, FedDR and asyncFedDR, for solving a fundamental nonconvex composite optimization problem in federated learning. Our algorithms rely on a novel combination between a nonconvex Douglas-Rachford splitting method, randomized block-coordinate strategies, and asynchronous im- plementation. They can also handle convex regularizers. Unlike recent methods in the literature, e.g., FedSplit and FedPD, our algorithms update only a subset of users at each communication round, and possibly in an asynchronous manner, making them more practical. These new algorithms can handle statistical and sys- tem heterogeneity, which are the two main challenges in federated learning, while achieving the best known communication complexity. In fact, our new algorithms match the communication complexity lower bound up to a constant factor under standard assumptions. Our numerical experiments illustrate the advantages of our methods over existing algorithms on synthetic and real datasets.
Few-shot segmentation aims to train a segmentation model that can fast adapt to novel classes with few exemplars. The conventional training paradigm is to learn to make predictions on query images conditioned on the features from support images. Previous methods only utilized the semantic-level prototypes of support images as the conditional information. These methods cannot utilize all pixel-wise support information for the query predictions, which is however critical for the segmentation task. In this paper, we focus on utilizing pixel-wise relationships between support and target images to facilitate the few-shot semantic segmentation task. We design a novel Cycle-Consistent Transformer (CyCTR) module to aggregate pixel-wise support features into query ones. CyCTR performs cross-attention between features from different images, i.e. support and query images. We observe that there may exist unexpected irrelevant pixel-level support features. Directly performing cross-attention may aggregate these features from support to query and bias the query features. Thus, we propose using a novel cycle-consistent attention mechanism to filter out possible harmful support features and encourage query features to attend to the most informative pixels from support images. Experiments on all few-shot segmentation benchmarks demonstrate that our proposed CyCTR leads to remarkable improvement compared to previous state-of-the-art methods. Specifically, …

More recently, there has been a surge of interest in employing machine learning approaches to expedite the drug discovery process where virtual screening for hit discovery and ADMET prediction for lead optimization play essential roles. One of the main obstacles to the wide success of machine learning approaches in these two tasks is that the number of compounds labeled with activities or ADMET properties is too small to build an effective predictive model. This paper seeks to remedy the problem by transferring the knowledge from previous assays, namely in-vivo experiments, by different laboratories and against various target proteins. To accommodate these wildly different assays and capture the similarity between assays, we propose a functional rationalized meta-learning algorithm FRML for such knowledge transfer. FRML constructs the predictive model with layers of neural sub-networks or so-called functional regions. Building on this, FRML shares an initialization for the weights of the predictive model across all assays, while customizes it to each assay with a region localization network choosing the pertinent regions. The compositionality of the model improves the capacity of generalization to various and even out-of-distribution tasks. Empirical results on both virtual screening and ADMET prediction validate the superiority of FRML over state-of-the-art …

We propose a simple architecture for deep reinforcement learning by embedding inputs into a learned Fourier basis and show that it improves the sample efficiency of both state-based and image-based RL. We perform infinite-width analysis of our architecture using the Neural Tangent Kernel and theoretically show that tuning the initial variance of the Fourier basis is equivalent to functional regularization of the learned deep network. That is, these learned Fourier features allow for adjusting the degree to which networks underfit or overfit different frequencies in the training data, and hence provide a controlled mechanism to improve the stability and performance of RL optimization. Empirically, this allows us to prioritize learning low-frequency functions and speed up learning by reducing networks' susceptibility to noise in the optimization process, such as during Bellman updates. Experiments on standard state-based and image-based RL benchmarks show clear benefits of our architecture over the baselines.

Understanding the operation of biological and artificial networks remains a difficult and important challenge. To identify general principles, researchers are increasingly interested in surveying large collections of networks that are trained on, or biologically adapted to, similar tasks. A standardized set of analysis tools is now needed to identify how network-level covariates---such as architecture, anatomical brain region, and model organism---impact neural representations (hidden layer activations). Here, we provide a rigorous foundation for these analyses by defining a broad family of metric spaces that quantify representational dissimilarity. Using this framework, we modify existing representational similarity measures based on canonical correlation analysis and centered kernel alignment to satisfy the triangle inequality, formulate a novel metric that respects the inductive biases in convolutional layers, and identify approximate Euclidean embeddings that enable network representations to be incorporated into essentially any off-the-shelf machine learning method. We demonstrate these methods on large-scale datasets from biology (Allen Institute Brain Observatory) and deep learning (NAS-Bench-101). In doing so, we identify relationships between neural representations that are interpretable in terms of anatomical features and model performance.

Most existing geometry processing algorithms use meshes as the default shape representation. Manipulating meshes, however, requires one to maintain high quality in the surface discretization. For example, changing the topology of a mesh usually requires additional procedures such as remeshing. This paper instead proposes the use of neural fields for geometry processing. Neural fields can compactly store complicated shapes without spatial discretization. Moreover, neural fields are infinitely differentiable, which allows them to be optimized for objectives that involve higher-order derivatives. This raises the question: can geometry processing be done entirely using neural fields? We introduce loss functions and architectures to show that some of the most challenging geometry processing tasks, such as deformation and filtering, can be done with neural fields. Experimental results show that our methods are on par with the well-established mesh-based methods without committing to a particular surface discretization. Code is available at https://github.com/stevenygd/NFGP.


To understand neural network behavior, recent works quantitatively compare different networks' learned representations using canonical correlation analysis (CCA), centered kernel alignment (CKA), and other dissimilarity measures. Unfortunately, these widely used measures often disagree on fundamental observations, such as whether deep networks differing only in random initialization learn similar representations. These disagreements raise the question: which, if any, of these dissimilarity measures should we believe? We provide a framework to ground this question through a concrete test: measures should have \emph{sensitivity} to changes that affect functional behavior, and \emph{specificity} against changes that do not. We quantify this through a variety of functional behaviors including probing accuracy and robustness to distribution shift, and examine changes such as varying random initialization and deleting principal components. We find that current metrics exhibit different weaknesses, note that a classical baseline performs surprisingly well, and highlight settings where all metrics appear to fail, thus providing a challenge set for further improvement.

We provide a framework to accelerate reinforcement learning (RL) algorithms by heuristics that are constructed by domain knowledge or offline data. Tabula rasa RL algorithms require environment interactions or computation that scales with the horizon of the sequential decision-making task. Using our framework, we show how heuristic-guided RL induces a much shorter horizon sub-problem that provably solves the original task. Our framework can be viewed as a horizon-based regularization for controlling bias and variance in RL under a finite interaction budget. In theory, we characterize the properties of a good heuristic and the resulting impact on RL acceleration. In particular, we introduce the novel concept of an improvable heuristic that can allow any RL agent to conservatively extrapolate beyond its prior knowledge. In practice, we instantiate our framework to accelerate several state-of-the-art algorithms in simulated robotic control tasks and procedurally generated games. Our framework complements the rich literature on warm-starting RL using expert demonstrations or exploratory data-sets, and creates a unified channel to inject prior knowledge into RL.



Probabilistic circuits (PCs) are a family of generative models which allows for the computation of exact likelihoods and marginals of its probability distributions. PCs are both expressive and tractable, and serve as popular choices for discrete density estimation tasks. However, large PCs are susceptible to overfitting, and only a few regularization strategies (e.g., dropout, weight-decay) have been explored. We propose HyperSPNs: a new paradigm of generating the mixture weights of large PCs using a small-scale neural network. Our framework can be viewed as a soft weight-sharing strategy, which combines the greater expressiveness of large models with the better generalization and memory-footprint properties of small models. We show the merits of our regularization strategy on two state-of-the-art PC families introduced in recent literature -- RAT-SPNs and EiNETs -- and demonstrate generalization improvements in both models on a suite of density estimation benchmarks in both discrete and continuous domains.

In this paper, we devise identity tests for ranking data that is generated from Mallows model both in the \emph{asymptotic} and \emph{non-asymptotic} settings. First we consider the case when the central ranking is known, and devise two algorithms for testing the spread parameter of the Mallows model. The first one is obtained by constructing a Uniformly Most Powerful Unbiased (UMPU) test in the asymptotic setting and then converting it into a sample-optimal non-asymptotic identity test. The resulting test is, however, impractical even for medium sized data, because it requires computing the distribution of the sufficient statistic. The second non-asymptotic test is derived from an optimal learning algorithm for the Mallows model. This test is both easy to compute and is sample-optimal for a wide range of parameters. Next, we consider testing Mallows models for the unknown central ranking case. This case can be tackled in the asymptotic setting by introducing a bias that exponentially decays with the sample size. We support all our findings with extensive numerical experiments and show that the proposed tests scale gracefully with the number of items to be ranked.
We propose a new framework for Imitation Learning (IL) via density estimation of the expert's occupancy measure followed by Maximum Occupancy Entropy Reinforcement Learning (RL) using the density as a reward. Our approach maximizes a non-adversarial model-free RL objective that provably lower bounds reverse Kullback–Leibler divergence between occupancy measures of the expert and imitator. We present a practical IL algorithm, Neural Density Imitation (NDI), which obtains state-of-the-art demonstration efficiency on benchmark control tasks.

Nowadays, there is an explosive growth of screen contents due to the wide application of screen sharing, remote cooperation, and online education. To match the limited terminal bandwidth, high-resolution (HR) screen contents may be downsampled and compressed. At the receiver side, the super-resolution (SR)of low-resolution (LR) screen content images (SCIs) is highly demanded by the HR display or by the users to zoom in for detail observation. However, image SR methods mostly designed for natural images do not generalize well for SCIs due to the very different image characteristics as well as the requirement of SCI browsing at arbitrary scales. To this end, we propose a novel Implicit Transformer Super-Resolution Network (ITSRN) for SCISR. For high-quality continuous SR at arbitrary ratios, pixel values at query coordinates are inferred from image features at key coordinates by the proposed implicit transformer and an implicit position encoding scheme is proposed to aggregate similar neighboring pixel values to the query one. We construct benchmark SCI1K and SCI1K-compression datasets withLR and HR SCI pairs. Extensive experiments show that the proposed ITSRN significantly outperforms several competitive continuous and discrete SR methods for both compressed and uncompressed SCIs.

Human reasoning can be understood as an interplay between two systems: the intuitive and associative ("System 1") and the deliberative and logical ("System 2"). Neural sequence models---which have been increasingly successful at performing complex, structured tasks---exhibit the advantages and failure modes of System 1: they are fast and learn patterns from data, but are often inconsistent and incoherent. In this work, we seek a lightweight, training-free means of improving existing System 1-like sequence models by adding System 2-inspired logical reasoning. We explore several variations on this theme in which candidate generations from a neural sequence model are examined for logical consistency by a symbolic reasoning module, which can either accept or reject the generations. Our approach uses neural inference to mediate between the neural System 1 and the logical System 2. Results in robust story generation and grounded instruction-following show that this approach can increase the coherence and accuracy of neurally-based generations.

Our work reveals a structured shortcoming of the existing mainstream self-supervised learning methods. Whereas self-supervised learning frameworks usually take the prevailing perfect instance level invariance hypothesis for granted, we carefully investigate the pitfalls behind. Particularly, we argue that the existing augmentation pipeline for generating multiple positive views naturally introduces out-of-distribution (OOD) samples that undermine the learning of the downstream tasks. Generating diverse positive augmentations on the input does not always pay off in benefiting downstream tasks. To overcome this inherent deficiency, we introduce a lightweight latent variable model UOTA, targeting the view sampling issue for self-supervised learning. UOTA adaptively searches for the most important sampling region to produce views, and provides viable choice for outlier-robust self-supervised learning approaches. Our method directly generalizes to many mainstream self-supervised learning approaches, regardless of the loss's nature contrastive or not. We empirically show UOTA's advantage over the state-of-the-art self-supervised paradigms with evident margin, which well justifies the existence of the OOD sample issue embedded in the existing approaches. Especially, we theoretically prove that the merits of the proposal boil down to guaranteed estimator variance and bias reduction. Code is available: https://github.com/ssl-codelab/uota.


We revisit first-order optimization under local information constraints such as local privacy, gradient quantization, and computational constraints limiting access to a few coordinates of the gradient. In this setting, the optimization algorithm is not allowed to directly access the complete output of the gradient oracle, but only gets limited information about it subject to the local information constraints. We study the role of adaptivity in processing the gradient output to obtain this limited information from it, and obtain tight or nearly tight bounds for both convex and strongly convex optimization when adaptive gradient processing is allowed.

Inverse Reinforcement Learning (IRL) is the problem of finding a reward function which describes observed/known expert behavior. The IRL setting is remarkably useful for automated control, in situations where the reward function is difficult to specify manually or as a means to extract agent preference. In this work, we provide a new IRL algorithm for the continuous state space setting with unknown transition dynamics by modeling the system using a basis of orthonormal functions. Moreover, we provide a proof of correctness and formal guarantees on the sample and time complexity of our algorithm. Finally, we present synthetic experiments to corroborate our theoretical guarantees.

Many tasks in deep learning involve optimizing over the inputs to a network to minimize or maximize some objective; examples include optimization over latent spaces in a generative model to match a target image, or adversarially perturbing an input to worsen classifier performance. Performing such optimization, however, is traditionally quite costly, as it involves a complete forward and backward pass through the network for each gradient step. In a separate line of work, a recent thread of research has developed the deep equilibrium (DEQ) model, a class of models that foregoes traditional network depth and instead computes the output of a network by finding the fixed point of a single nonlinear layer. In this paper, we show that there is a natural synergy between these two settings. Although, naively using DEQs for these optimization problems is expensive (owing to the time needed to compute a fixed point for each gradient step), we can leverage the fact that gradient-based optimization can itself be cast as a fixed point iteration to substantially improve the overall speed. That is, we simultaneously both solve for the DEQ fixed point and optimize over network inputs, all within a single "augmented" DEQ model that jointly encodes …

Prior knowledge integration helps identify semantic entities and their relationships in a graphical representation, however, its meaningful abstraction and intervention remain elusive. This paper advocates a knowledge-inspired 3D scene graph prediction method solely based on point clouds. At the mathematical modeling level, we formulate the task as two sub-problems: knowledge learning and scene graph prediction with learned prior knowledge. Unlike conventional methods that learn knowledge embedding and regular patterns from encoded visual information, we propose to suppress the misunderstandings caused by appearance similarities and other perceptual confusion. At the network design level, we devise a graph auto-encoder to automatically extract class-dependent representations and topological patterns from the one-hot class labels and their intrinsic graphical structures, so that the prior knowledge can avoid perceptual errors and noises. We further devise a scene graph prediction model to predict credible relationship triplets by incorporating the related prototype knowledge with perceptual information. Comprehensive experiments confirm that, our method can successfully learn representative knowledge embedding, and the obtained prior knowledge can effectively enhance the accuracy of relationship predictions. Our thorough evaluations indicate the new method can achieve the state-of-the-art performance compared with other scene graph prediction methods.

Many widely used datasets for graph machine learning tasks have generally been homophilous, where nodes with similar labels connect to each other. Recently, new Graph Neural Networks (GNNs) have been developed that move beyond the homophily regime; however, their evaluation has often been conducted on small graphs with limited application domains. We collect and introduce diverse non-homophilous datasets from a variety of application areas that have up to 384x more nodes and 1398x more edges than prior datasets. We further show that existing scalable graph learning and graph minibatching techniques lead to performance degradation on these non-homophilous datasets, thus highlighting the need for further work on scalable non-homophilous methods. To address these concerns, we introduce LINKX --- a strong simple method that admits straightforward minibatch training and inference. Extensive experimental results with representative simple methods and GNNs across our proposed datasets show that LINKX achieves state-of-the-art performance for learning on non-homophilous graphs. Our codes and data are available at https://github.com/CUAI/Non-Homophily-Large-Scale.
Program synthesis from input-output (IO) examples has been a long-standing challenge. While recent works demonstrated limited success on domain-specific languages (DSL), it remains highly challenging to apply them to real-world programming languages, such as C. Due to complicated syntax and token variation, there are three major challenges: (1) unlike many DSLs, programs in languages like C need to compile first and are not executed via interpreters; (2) the program search space grows exponentially when the syntax and semantics of the programming language become more complex; and (3) collecting a large-scale dataset of real-world programs is non-trivial. As a first step to address these challenges, we propose LaSynth and show its efficacy in a restricted-C domain (i.e., C code with tens of tokens, with sequential, branching, loop and simple arithmetic operations but no library call). More specifically, LaSynth learns the latent representation to approximate the execution of partially generated programs, even if they are incomplete in syntax (addressing (1)). The learned execution significantly improves the performance of next token prediction over existing approaches, facilitating search (addressing (2)). Finally, once trained with randomly generated ground-truth programs and their IO pairs, LaSynth can synthesize more concise programs that resemble human-written code. Furthermore, retraining …
We propose a canonical point autoencoder (CPAE) that predicts dense correspondences between 3D shapes of the same category. The autoencoder performs two key functions: (a) encoding an arbitrarily ordered point cloud to a canonical primitive, e.g., a sphere, and (b) decoding the primitive back to the original input instance shape. As being placed in the bottleneck, this primitive plays a key role to map all the unordered point clouds on the canonical surface, and to be reconstructed in an ordered fashion. Once trained, points from different shape instances that are mapped to the same locations on the primitive surface are determined to be a pair of correspondence. Our method does not require any form of annotation or self-supervised part segmentation network and can handle unaligned input point clouds within a certain rotation range. Experimental results on 3D semantic keypoint transfer and part segmentation transfer show that our model performs favorably against state-of-the-art correspondence learning methods.

Deep Reinforcement Learning (RL) is successful in solving many complex Markov Decision Processes (MDPs) problems. However, agents often face unanticipated environmental changes after deployment in the real world. These changes are often spurious and unrelated to the underlying problem, such as background shifts for visual input agents. Unfortunately, deep RL policies are usually sensitive to these changes and fail to act robustly against them. This resembles the problem of domain generalization in supervised learning. In this work, we study this problem for goal-conditioned RL agents. We propose a theoretical framework in the Block MDP setting that characterizes the generalizability of goal-conditioned policies to new environments. Under this framework, we develop a practical method PA-SkewFit that enhances domain generalization. The empirical evaluation shows that our goal-conditioned RL agent can perform well in various unseen test environments, improving by 50\% over baselines.
Matching markets are often organized in a multi-stage and decentralized manner. Moreover, participants in real-world matching markets often have uncertain preferences. This article develops a framework for learning optimal strategies in such settings, based on a nonparametric statistical approach and variational analysis. We propose an efficient algorithm, built upon concepts of "lower uncertainty bound" and "calibrated decentralized matching," for maximizing the participants' expected payoff. We show that there exists a welfare-versus-fairness trade-off that is characterized by the uncertainty level of acceptance. Participants will strategically act in favor of a low uncertainty level to reduce competition and increase expected payoff. We prove that participants can be better off with multi-stage matching compared to single-stage matching. We demonstrate aspects of the theoretical predictions through simulations and an experiment using real data from college admissions.

Checklists are simple decision aids that are often used to promote safety and reliability in clinical applications. In this paper, we present a method to learn checklists for clinical decision support. We represent predictive checklists as discrete linear classifiers with binary features and unit weights. We then learn globally optimal predictive checklists from data by solving an integer programming problem. Our method allows users to customize checklists to obey complex constraints, including constraints to enforce group fairness and to binarize real-valued features at training time. In addition, it pairs models with an optimality gap that can inform model development and determine the feasibility of learning sufficiently accurate checklists on a given dataset. We pair our method with specialized techniques that speed up its ability to train a predictive checklist that performs well and has a small optimality gap. We benchmark the performance of our method on seven clinical classification problems, and demonstrate its practical benefits by training a short-form checklist for PTSD screening. Our results show that our method can fit simple predictive checklists that perform well and that can easily be customized to obey a rich class of custom constraints.

Deep neural networks have been used widely to learn the latent structure of datasets, across modalities such as images, shapes, and audio signals. However, existing models are generally modality-dependent, requiring custom architectures and objectives to process different classes of signals. We leverage neural fields to capture the underlying structure in image, shape, audio and cross-modal audiovisual domains in a modality-independent manner. We cast our task as one of learning a manifold, where we aim to infer a low-dimensional, locally linear subspace in which our data resides. By enforcing coverage of the manifold, local linearity, and local isometry, our model -- dubbed GEM -- learns to capture the underlying structure of datasets across modalities. We can then travel along linear regions of our manifold to obtain perceptually consistent interpolations between samples, and can further use GEM to recover points on our manifold and glean not only diverse completions of input images, but cross-modal hallucinations of audio or image signals. Finally, we show that by walking across the underlying manifold of GEM, we may generate new samples in our signal domains.

The accuracy of simulation-based forecasting in chaotic systems is heavily dependent on high-quality estimates of the system state at the beginning of the forecast. Data assimilation methods are used to infer these initial conditions by systematically combining noisy, incomplete observations and numerical models of system dynamics to produce highly effective estimation schemes. We introduce a self-supervised framework, which we call \textit{amortized assimilation}, for learning to assimilate in dynamical systems. Amortized assimilation combines deep learning-based denoising with differentiable simulation, using independent neural networks to assimilate specific observation types while connecting the gradient flow between these sub-tasks with differentiable simulation and shared recurrent memory. This hybrid architecture admits a self-supervised training objective which is minimized by an unbiased estimator of the true system state even in the presence of only noisy training data. Numerical experiments across several chaotic benchmark systems highlight the improved effectiveness of our approach compared to widely-used data assimilation methods.

Gaussian processes with deep neural networks demonstrate to be a strong learner for few-shot learning since they combine the strength of deep learning and kernels while being able to well capture uncertainty. However, it remains an open problem to leverage the shared knowledge provided by related tasks. In this paper, we propose to learn Gaussian processes with dense inducing variables by meta-learning for few-shot learning. In contrast to sparse Gaussian processes, we define a set of dense inducing variables to be of a much larger size than the support set in each task, which collects prior knowledge from experienced tasks. The dense inducing variables specify a shared Gaussian process prior over prediction functions of all tasks, which are learned in a variational inference framework and offer a strong inductive bias for learning new tasks. To achieve task-specific prediction functions, we propose to adapt the inducing variables to each task by efficient gradient descent. We conduct extensive experiments on common benchmark datasets for a variety of few-shot learning tasks. Our dense Gaussian processes present significant improvements over vanilla Gaussian processes and comparable or even better performance with state-of-the-art methods.

Marked temporal point processes (MTPPs) have emerged as a powerful modelingtool for a wide variety of applications which are characterized using discreteevents localized in continuous time. In this context, the events are of two typesendogenous events which occur due to the influence of the previous events andexogenous events which occur due to the effect of the externalities. However, inpractice, the events do not come with endogenous or exogenous labels. To thisend, our goal in this paper is to identify the set of exogenous events from a set ofunlabelled events. To do so, we first formulate the parameter estimation problemin conjunction with exogenous event set selection problem and show that thisproblem is NP hard. Next, we prove that the underlying objective is a monotoneand \alpha-submodular set function, with respect to the candidate set of exogenousevents. Such a characterization subsequently allows us to use a stochastic greedyalgorithm which was originally proposed in~\cite{greedy}for submodular maximization.However, we show that it also admits an approximation guarantee for maximizing\alpha-submodular set function, even when the learning algorithm provides an imperfectestimates of the trained parameters. Finally, our experiments with synthetic andreal data show that our method performs better than the existing approaches builtupon superposition of endogenous and exogenous …

The emergence of the Internet-of-Things (IoT) sheds light on applying the machine teaching (MT) algorithms for online personalized education on home devices. This direction becomes more promising during the COVID-19 pandemic when in-person education becomes infeasible. However, as one of the most influential and practical MT paradigms, iterative machine teaching (IMT) is prohibited on IoT devices due to its inefficient and unscalable algorithms. IMT is a paradigm where a teacher feeds examples iteratively and intelligently based on the learner's status. In each iteration, current IMT algorithms greedily traverse the whole training set to find an example for the learner, which is computationally expensive in practice. We propose a novel teaching framework, Locality Sensitive Teaching (LST), based on locality sensitive sampling, to overcome these challenges. LST has provable near-constant time complexity, which is exponentially better than the existing baseline. With at most 425.12x speedups and 99.76% energy savings over IMT, LST is the first algorithm that enables energy and time efficient machine teaching on IoT devices. Owing to LST's substantial efficiency and scalability, it is readily applicable in real-world education scenarios.

We present Long Short-term TRansformer (LSTR), a temporal modeling algorithm for online action detection, which employs a long- and short-term memory mechanism to model prolonged sequence data. It consists of an LSTR encoder that dynamically leverages coarse-scale historical information from an extended temporal window (e.g., 2048 frames spanning of up to 8 minutes), together with an LSTR decoder that focuses on a short time window (e.g., 32 frames spanning 8 seconds) to model the fine-scale characteristics of the data. Compared to prior work, LSTR provides an effective and efficient method to model long videos with fewer heuristics, which is validated by extensive empirical analysis. LSTR achieves state-of-the-art performance on three standard online action detection benchmarks, THUMOS'14, TVSeries, and HACS Segment. Code has been made available at: https://xumingze0308.github.io/projects/lstr.

We present an approach to contrastive representation learning for semantic segmentation. Our approach leverages the representational power of existing feature extractors to find corresponding regions across images. These cross-image correspondences are used as auxiliary labels to guide the pixel-level selection of positive and negative samples for more effective contrastive learning in semantic segmentation. We show that auxiliary labels can be generated from a variety of feature extractors, ranging from image classification networks that have been trained using unsupervised contrastive learning to segmentation models that have been trained on a small amount of labeled data. We additionally introduce a novel metric for rapidly judging the quality of a given auxiliary-labeling strategy, and empirically analyze various factors that influence the performance of contrastive learning for semantic segmentation. We demonstrate the effectiveness of our method both in the low-data as well as the high-data regime on various datasets. Our experiments show that contrastive learning with our auxiliary-labeling approach consistently boosts semantic segmentation accuracy when compared to standard ImageNet pretraining and outperforms existing approaches of contrastive and semi-supervised semantic segmentation.


Machine Learning (ML) can help solve combinatorial optimization (CO) problems better. A popular approach is to use a neural net to compute on the parameters of a given CO problem and extract useful information that guides the search for good solutions. Many CO problems of practical importance can be specified in a matrix form of parameters quantifying the relationship between two groups of items. There is currently no neural net model, however, that takes in such matrix-style relationship data as an input. Consequently, these types of CO problems have been out of reach for ML engineers. In this paper, we introduce Matrix Encoding Network (MatNet) and show how conveniently it takes in and processes parameters of such complex CO problems. Using an end-to-end model based on MatNet, we solve asymmetric traveling salesman (ATSP) and flexible flow shop (FFSP) problems as the earliest neural approach. In particular, for a class of FFSP we have tested MatNet on, we demonstrate a far superior empirical performance to any methods (neural or not) known to date.

We present an online multi-task learning approach for adaptive nonlinear control, which we call Online Meta-Adaptive Control (OMAC). The goal is to control a nonlinear system subject to adversarial disturbance and unknown \emph{environment-dependent} nonlinear dynamics, under the assumption that the environment-dependent dynamics can be well captured with some shared representation. Our approach is motivated by robot control, where a robotic system encounters a sequence of new environmental conditions that it must quickly adapt to. A key emphasis is to integrate online representation learning with established methods from control theory, in order to arrive at a unified framework that yields both control-theoretic and learning-theoretic guarantees. We provide instantiations of our approach under varying conditions, leading to the first non-asymptotic end-to-end convergence guarantee for multi-task nonlinear control. OMAC can also be integrated with deep representation learning. Experiments show that OMAC significantly outperforms conventional adaptive control approaches which do not learn the shared representation, in inverted pendulum and 6-DoF drone control tasks under varying wind conditions.

How to explore efficiently is a central problem in multi-armed bandits. In this paper, we introduce the metadata-based multi-task bandit problem, where the agent needs to solve a large number of related multi-armed bandit tasks and can leverage some task-specific features (i.e., metadata) to share knowledge across tasks. As a general framework, we propose to capture task relations through the lens of Bayesian hierarchical models, upon which a Thompson sampling algorithm is designed to efficiently learn task relations, share information, and minimize the cumulative regrets. Two concrete examples for Gaussian bandits and Bernoulli bandits are carefully analyzed. The Bayes regret for Gaussian bandits clearly demonstrates the benefits of information sharing with our algorithm. The proposed method is further supported by extensive experiments.

Pre-training (PT) followed by fine-tuning (FT) is an effective method for training neural networks, and has led to significant performance improvements in many domains. PT can incorporate various design choices such as task and data reweighting strategies, augmentation policies, and noise models, all of which can significantly impact the quality of representations learned. The hyperparameters introduced by these strategies therefore must be tuned appropriately. However, setting the values of these hyperparameters is challenging. Most existing methods either struggle to scale to high dimensions, are too slow and memory-intensive, or cannot be directly applied to the two-stage PT and FT learning process. In this work, we propose an efficient, gradient-based algorithm to meta-learn PT hyperparameters. We formalize the PT hyperparameter optimization problem and propose a novel method to obtain PT hyperparameter gradients by combining implicit differentiation and backpropagation through unrolled optimization. We demonstrate that our method improves predictive performance on two real-world domains. First, we optimize high-dimensional task weighting hyperparameters for multitask pre-training on protein-protein interaction graphs and improve AUROC by up to 3.9%. Second, we optimize a data augmentation neural network for self-supervised PT with SimCLR on electrocardiography data and improve AUROC by up to 1.9%.

Stochastic model-based methods have received increasing attention lately due to their appealing robustness to the stepsize selection and provable efficiency guarantee. We make two important extensions for improving model-based methods on stochastic weakly convex optimization. First, we propose new minibatch model- based methods by involving a set of samples to approximate the model function in each iteration. For the first time, we show that stochastic algorithms achieve linear speedup over the batch size even for non-smooth and non-convex (particularly, weakly convex) problems. To this end, we develop a novel sensitivity analysis of the proximal mapping involved in each algorithm iteration. Our analysis appears to be of independent interests in more general settings. Second, motivated by the success of momentum stochastic gradient descent, we propose a new stochastic extrapolated model-based method, greatly extending the classic Polyak momentum technique to a wider class of stochastic algorithms for weakly convex optimization. The rate of convergence to some natural stationarity condition is established over a fairly flexible range of extrapolation terms.While mainly focusing on weakly convex optimization, we also extend our work to convex optimization. We apply the minibatch and extrapolated model-based methods to stochastic convex optimization, for which we provide a new complexity …

Episodic control enables sample efficiency in reinforcement learning by recalling past experiences from an episodic memory. We propose a new model-based episodic memory of trajectories addressing current limitations of episodic control. Our memory estimates trajectory values, guiding the agent towards good policies. Built upon the memory, we construct a complementary learning model via a dynamic hybrid control unifying model-based, episodic and habitual learning into a single architecture. Experiments demonstrate that our model allows significantly faster and better learning than other strong reinforcement learning agents across a variety of environments including stochastic and non-Markovian settings.

Hierarchical relations are prevalent and indispensable for organizing human knowledge captured by a knowledge graph (KG). The key property of hierarchical relations is that they induce a partial ordering over the entities, which needs to be modeled in order to allow for hierarchical reasoning. However, current KG embeddings can model only a single global hierarchy (single global partial ordering) and fail to model multiple heterogeneous hierarchies that exist in a single KG. Here we present ConE (Cone Embedding), a KG embedding model that is able to simultaneously model multiple hierarchical as well as non-hierarchical relations in a knowledge graph. ConE embeds entities into hyperbolic cones and models relations as transformations between the cones. In particular, ConE uses cone containment constraints in different subspaces of the hyperbolic embedding space to capture multiple heterogeneous hierarchies. Experiments on standard knowledge graph benchmarks show that ConE obtains state-of-the-art performance on hierarchical reasoning tasks as well as knowledge graph completion task on hierarchical graphs. In particular, our approach yields new state-of-the-art Hits@1 of 45.3% on WN18RR and 16.1% on DDB14 (0.231 MRR). As for hierarchical reasoning task, our approach outperforms previous best results by an average of 20% across the three datasets.

We study multi-agent reinforcement learning (MARL) in a stochastic network of agents. The objective is to find localized policies that maximize the (discounted) global reward. In general, scalability is a challenge in this setting because the size of the global state/action space can be exponential in the number of agents. Scalable algorithms are only known in cases where dependencies are static, fixed and local, e.g., between neighbors in a fixed, time-invariant underlying graph. In this work, we propose a Scalable Actor Critic framework that applies in settings where the dependencies can be non-local and stochastic, and provide a finite-time error bound that shows how the convergence rate depends on the speed of information spread in the network. Additionally, as a byproduct of our analysis, we obtain novel finite-time convergence results for a general stochastic approximation scheme and for temporal difference learning with state aggregation, which apply beyond the setting of MARL in networked systems.


In nature, symmetry governs regularities, while symmetry breaking brings texture. In artificial neural networks, symmetry has been a central design principle to efficiently capture regularities in the world, but the role of symmetry breaking is not well understood. Here, we develop a theoretical framework to study the "geometry of learning dynamics" in neural networks, and reveal a key mechanism of explicit symmetry breaking behind the efficiency and stability of modern neural networks. To build this understanding, we model the discrete learning dynamics of gradient descent using a continuous-time Lagrangian formulation, in which the learning rule corresponds to the kinetic energy and the loss function corresponds to the potential energy. Then, we identify "kinetic symmetry breaking" (KSB), the condition when the kinetic energy explicitly breaks the symmetry of the potential function. We generalize Noether’s theorem known in physics to take into account KSB and derive the resulting motion of the Noether charge: "Noether's Learning Dynamics" (NLD). Finally, we apply NLD to neural networks with normalization layers and reveal how KSB introduces a mechanism of implicit adaptive optimization, establishing an analogy between learning dynamics induced by normalization layers and RMSProp. Overall, through the lens of Lagrangian mechanics, we have established a theoretical …

Robust reinforcement learning (RL) is to find a policy that optimizes the worst-case performance over an uncertainty set of MDPs. In this paper, we focus on model-free robust RL, where the uncertainty set is defined to be centering at a misspecified MDP that generates samples, and is assumed to be unknown. We develop a sample-based approach to estimate the unknown uncertainty set, and design robust Q-learning algorithm (tabular case) and robust TDC algorithm (function approximation setting), which can be implemented in an online and incremental fashion. For the robust Q-learning algorithm, we prove that it converges to the optimal robust Q function, and for the robust TDC algorithm, we prove that it converges asymptotically to some stationary points. Unlike the results in [Roy et al., 2017], our algorithms do not need any additional conditions on the discount factor to guarantee the convergence. We further characterize the finite-time error bounds of the two algorithms, and show that both the robust Q-learning and robust TDC algorithms converge as fast as their vanilla counterparts (within a constant factor). Our numerical experiments further demonstrate the robustness of our algorithms. Our approach can be readily extended to robustify many other algorithms, e.g., TD, SARSA, and …


Understanding how grid cells perform path integration calculations remains a fundamental problem. In this paper, we conduct theoretical analysis of a general representation model of path integration by grid cells, where the 2D self-position is encoded as a higher dimensional vector, and the 2D self-motion is represented by a general transformation of the vector. We identify two conditions on the transformation. One is a group representation condition that is necessary for path integration. The other is an isotropic scaling condition that ensures locally conformal embedding, so that the error in the vector representation translates conformally to the error in the 2D self-position. Then we investigate the simplest transformation, i.e., the linear transformation, uncover its explicit algebraic and geometric structure as matrix Lie group of rotation, and explore the connection between the isotropic scaling condition and a special class of hexagon grid patterns. Finally, with our optimization-based approach, we manage to learn hexagon grid patterns that share similar properties of the grid cells in the rodent brain. The learned model is capable of accurate long distance path integration. Code is available at https://github.com/ruiqigao/grid-cell-path.



Extracting relevant information from data is crucial for all forms of learning. The information bottleneck (IB) method formalizes this, offering a mathematically precise and conceptually appealing framework for understanding learning phenomena. However the nonlinearity of the IB problem makes it computationally expensive and analytically intractable in general. Here we derive a perturbation theory for the IB method and report the first complete characterization of the learning onset, the limit of maximum relevant information per bit extracted from data. We test our results on synthetic probability distributions, finding good agreement with the exact numerical solution near the onset of learning. We explore the difference and subtleties in our derivation and previous attempts at deriving a perturbation theory for the learning onset and attribute the discrepancy to a flawed assumption. Our work also provides a fresh perspective on the intimate relationship between the IB method and the strong data processing inequality.



Generative modeling of multivariate time series has remained challenging partly due to the complex, non-deterministic dynamics across long-distance timesteps. In this paper, we propose deep probabilistic methods that combine state-space models (SSMs) with transformer architectures. In contrast to previously proposed SSMs, our approaches use attention mechanism to model non-Markovian dynamics in the latent space and avoid recurrent neural networks entirely. We also extend our models to include several layers of stochastic variables organized in a hierarchy for further expressiveness. Compared to transformer models, ours are probabilistic, non-autoregressive, and capable of generating diverse long-term forecasts with uncertainty estimates. Extensive experiments show that our models consistently outperform competitive baselines on various tasks and datasets, including time series forecasting and human motion prediction.

Molecular property prediction plays a fundamental role in drug discovery to identify candidate molecules with target properties. However, molecular property prediction is essentially a few-shot problem, which makes it hard to use regular machine learning models. In this paper, we propose Property-Aware Relation networks (PAR) to handle this problem. In comparison to existing works, we leverage the fact that both relevant substructures and relationships among molecules change across different molecular properties. We first introduce a property-aware embedding function to transform the generic molecular embeddings to substructure-aware space relevant to the target property. Further, we design an adaptive relation graph learning module to jointly estimate molecular relation graph and refine molecular embeddings w.r.t. the target property, such that the limited labels can be effectively propagated among similar molecules. We adopt a meta-learning strategy where the parameters are selectively updated within tasks in order to model generic and property-aware knowledge separately. Extensive experiments on benchmark molecular property prediction datasets show that PAR consistently outperforms existing methods and can obtain property-aware molecular embeddings and model molecular relation graph properly.

Programs, consisting of semantic and structural information, play an important role in the communication between humans and agents. Towards learning general program executors to unify perception, reasoning, and decision making, we formulate program-guided tasks which require learning to execute a given program on the observed task specification. Furthermore, we propose Program-Guided Transformers (ProTo), which integrates both semantic and structural guidance of a program by leveraging cross-attention and masked self-attention to pass messages between the specification and routines in the program. ProTo executes a program in a learned latent space and enjoys stronger representation ability than previous neural-symbolic approaches. We demonstrate that ProTo significantly outperforms the previous state-of-the-art methods on GQA visual reasoning and 2D Minecraft policy learning datasets. Additionally, ProTo demonstrates better generalization to unseen, complex, and human-written programs.

Although the optimization objectives for learning neural networks are highly non-convex, gradient-based methods have been wildly successful at learning neural networks in practice. This juxtaposition has led to a number of recent studies on provable guarantees for neural networks trained by gradient descent. Unfortunately, the techniques in these works are often highly specific to the particular setup in each problem, making it difficult to generalize across different settings. To address this drawback in the literature, we propose a unified non-convex optimization framework for the analysis of neural network training. We introduce the notions of proxy convexity and proxy Polyak-Lojasiewicz (PL) inequalities, which are satisfied if the original objective function induces a proxy objective function that is implicitly minimized when using gradient methods. We show that stochastic gradient descent (SGD) on objectives satisfying proxy convexity or the proxy PL inequality leads to efficient guarantees for proxy objective functions. We further show that many existing guarantees for neural networks trained by gradient descent can be unified through proxy convexity and proxy PL inequalities.

Quantization is a popular technique that transforms the parameter representation of a neural network from floating-point numbers into lower-precision ones (e.g., 8-bit integers). It reduces the memory footprint and the computational cost at inference, facilitating the deployment of resource-hungry models. However, the parameter perturbations caused by this transformation result in behavioral disparities between the model before and after quantization. For example, a quantized model can misclassify some test-time samples that are otherwise classified correctly. It is not known whether such differences lead to a new security vulnerability. We hypothesize that an adversary may control this disparity to introduce specific behaviors that activate upon quantization. To study this hypothesis, we weaponize quantization-aware training and propose a new training framework to implement adversarial quantization outcomes. Following this framework, we present three attacks we carry out with quantization: (i) an indiscriminate attack for significant accuracy loss; (ii) a targeted attack against specific samples; and (iii) a backdoor attack for controlling the model with an input trigger. We further show that a single compromised model defeats multiple quantization schemes, including robust quantization techniques. Moreover, in a federated learning scenario, we demonstrate that a set of malicious participants who conspire can inject our quantization-activated backdoor. …


Transductive inference is widely used in few-shot learning, as it leverages the statistics of the unlabeled query set of a few-shot task, typically yielding substantially better performances than its inductive counterpart. The current few-shot benchmarks use perfectly class-balanced tasks at inference. We argue that such an artificial regularity is unrealistic, as it assumes that the marginal label probability of the testing samples is known and fixed to the uniform distribution. In fact, in realistic scenarios, the unlabeled query sets come with arbitrary and unknown label marginals. We introduce and study the effect of arbitrary class distributions within the query sets of few-shot tasks at inference, removing the class-balance artefact. Specifically, we model the marginal probabilities of the classes as Dirichlet-distributed random variables, which yields a principled and realistic sampling within the simplex. This leverages the current few-shot benchmarks, building testing tasks with arbitrary class distributions. We evaluate experimentally state-of-the-art transductive methods over 3 widely used data sets, and observe, surprisingly, substantial performance drops, even below inductive methods in some cases. Furthermore, we propose a generalization of the mutual-information loss, based on α-divergences, which can handle effectively class-distribution variations. Empirically, we show that our transductive α-divergence optimization outperforms state-of-the-art methods across …

Deep Neural Networks (DNNs) are ubiquitous in today's computer vision landscape, despite involving considerable computational costs. The mainstream approaches for runtime acceleration consist in pruning connections (unstructured pruning) or, better, filters (structured pruning), both often requiring data to retrain the model. In this paper, we present RED, a data-free, unified approach to tackle structured pruning. First, we propose a novel adaptive hashing of the scalar DNN weight distribution densities to increase the number of identical neurons represented by their weight vectors. Second, we prune the network by merging redundant neurons based on their relative similarities, as defined by their distance. Third, we propose a novel uneven depthwise separation technique to further prune convolutional layers. We demonstrate through a large variety of benchmarks that RED largely outperforms other data-free pruning methods, often reaching performance similar to unconstrained, data-driven methods.

Sampling-based motion planning is a popular approach in robotics for finding paths in continuous configuration spaces. Checking collision with obstacles is the major computational bottleneck in this process. We propose new learning-based methods for reducing collision checking to accelerate motion planning by training graph neural networks (GNNs) that perform path exploration and path smoothing. Given random geometric graphs (RGGs) generated from batch sampling, the path exploration component iteratively predicts collision-free edges to prioritize their exploration. The path smoothing component then optimizes paths obtained from the exploration stage. The methods benefit from the ability of GNNs of capturing geometric patterns from RGGs through batch sampling and generalize better to unseen environments. Experimental results show that the learned components can significantly reduce collision checking and improve overall planning efficiency in challenging high-dimensional motion planning tasks.

By filtering the content that users see, social media platforms have the ability to influence users' perceptions and decisions, from their dining choices to their voting preferences. This influence has drawn scrutiny, with many calling for regulations on filtering algorithms, but designing and enforcing regulations remains challenging. In this work, we examine three questions. First, given a regulation, how would one design an audit to enforce it? Second, does the audit impose a performance cost on the platform? Third, how does the audit affect the content that the platform is incentivized to filter? In response to these questions, we propose a method such that, given a regulation, an auditor can test whether that regulation is met with only black-box access to the filtering algorithm. We then turn to the platform's perspective. The platform's goal is to maximize an objective function while meeting regulation. We find that there are conditions under which the regulation does not place a high performance cost on the platform and, notably, that content diversity can play a key role in aligning the interests of the platform and regulators.

We model Alzheimer’s disease (AD) progression by combining differential equations (DEs) and reinforcement learning (RL) with domain knowledge. DEs provide relationships between some, but not all, factors relevant to AD. We assume that the missing relationships must satisfy general criteria about the working of the brain, for e.g., maximizing cognition while minimizing the cost of supporting cognition. This allows us to extract the missing relationships by using RL to optimize an objective (reward) function that captures the above criteria. We use our model consisting of DEs (as a simulator) and the trained RL agent to predict individualized 10-year AD progression using baseline (year 0) features on synthetic and real data. The model was comparable or better at predicting 10-year cognition trajectories than state-of-the-art learning-based models. Our interpretable model demonstrated, and provided insights into, "recovery/compensatory" processes that mitigate the effect of AD, even though those processes were not explicitly encoded in the model. Our framework combines DEs with RL for modelling AD progression and has broad applicability for understanding other neurological disorders.

As black box explanations are increasingly being employed to establish model credibility in high stakes settings, it is important to ensure that these explanations are accurate and reliable. However, prior work demonstrates that explanations generated by state-of-the-art techniques are inconsistent, unstable, and provide very little insight into their correctness and reliability. In addition, these methods are also computationally inefficient, and require significant hyper-parameter tuning. In this paper, we address the aforementioned challenges by developing a novel Bayesian framework for generating local explanations along with their associated uncertainty. We instantiate this framework to obtain Bayesian versions of LIME and KernelSHAP which output credible intervals for the feature importances, capturing the associated uncertainty. The resulting explanations not only enable us to make concrete inferences about their quality (e.g., there is a 95% chance that the feature importance lies within the given range), but are also highly consistent and stable. We carry out a detailed theoretical analysis that leverages the aforementioned uncertainty to estimate how many perturbations to sample, and how to sample for faster convergence. This work makes the first attempt at addressing several critical issues with popular explanation methods in one shot, thereby generating consistent, stable, and reliable explanations with guarantees …


The three-dimensional reconstruction of multiple interacting humans given a monocular image is crucial for the general task of scene understanding, as capturing the subtleties of interaction is often the very reason for taking a picture. Current 3D human reconstruction methods either treat each person independently, ignoring most of the context, or reconstruct people jointly, but cannot recover interactions correctly when people are in close proximity. In this work, we introduce \textbf{REMIPS}, a model for 3D \underline{Re}construction of \underline{M}ultiple \underline{I}nteracting \underline{P}eople under Weak \underline{S}upervision. \textbf{REMIPS} can reconstruct a variable number of people directly from monocular images. At the core of our methodology stands a novel transformer network that combines unordered person tokens (one for each detected human) with positional-encoded tokens from image features patches. We introduce a novel unified model for self- and interpenetration-collisions based on a mesh approximation computed by applying decimation operators. We rely on self-supervised losses for flexibility and generalisation in-the-wild and incorporate self-contact and interaction-contact losses directly into the learning process. With \textbf{REMIPS}, we report state-of-the-art quantitative results on common benchmarks even in cases where no 3D supervision is used. Additionally, qualitative visual results show that our reconstructions are plausible in terms of pose and shape and …

Hyperbolic space is particularly useful for embedding data with hierarchical structure; however, representing hyperbolic space with ordinary floating-point numbers greatly affects the performance due to its \emph{ineluctable} numerical errors. Simply increasing the precision of floats fails to solve the problem and incurs a high computation cost for simulating greater-than-double-precision floats on hardware such as GPUs, which does not support them. In this paper, we propose a simple, feasible-on-GPUs, and easy-to-understand solution for numerically accurate learning on hyperbolic space. We do this with a new approach to represent hyperbolic space using multi-component floating-point (MCF) in the Poincar{\'e} upper-half space model. Theoretically and experimentally we show our model has small numerical error, and on embedding tasks across various datasets, models represented by multi-component floating-points gain more capacity and run significantly faster on GPUs than prior work.

Distributed learning paradigms such as federated learning often involve transmission of model updates, or gradients, over a network, thereby avoiding transmission of private data. However, it is possible for sensitive information about the training data to be revealed from such gradients. Prior works have demonstrated that labels can be revealed analytically from the last layer of certain models (e.g., ResNet), or they can be reconstructed jointly with model inputs by using Gradients Matching [Zhu et al.] with additional knowledge about the current state of the model. In this work, we propose a method to discover the set of labels of training samples from only the gradient of the last layer and the id to label mapping. Our method is applicable to a wide variety of model architectures across multiple domains. We demonstrate the effectiveness of our method for model training in two domains - image classification, and automatic speech recognition. Furthermore, we show that existing reconstruction techniques improve their efficacy when used in conjunction with our method. Conversely, we demonstrate that gradient quantization and sparsification can significantly reduce the success of the attack.



In statistical learning and analysis from shared data, which is increasingly widely adopted in platforms such as federated learning and meta-learning, there are two major concerns: privacy and robustness. Each participating individual should be able to contribute without the fear of leaking one's sensitive information. At the same time, the system should be robust in the presence of malicious participants inserting corrupted data. Recent algorithmic advances in learning from shared data focus on either one of these threats, leaving the system vulnerable to the other. We bridge this gap for the canonical problem of estimating the mean from i.i.d.~samples. We introduce PRIME, which is the first efficient algorithm that achieves both privacy and robustness for a wide range of distributions. We further complement this result with a novel exponential time algorithm that improves the sample complexity of PRIME, achieving a near-optimal guarantee and matching that of a known lower bound for (non-robust) private mean estimation. This proves that there is no extra statistical cost to simultaneously guaranteeing privacy and robustness.

Massive deployment of Graph Neural Networks (GNNs) in high-stake applications generates a strong demand for explanations that are robust to noise and align well with human intuition. Most existing methods generate explanations by identifying a subgraph of an input graph that has a strong correlation with the prediction. These explanations are not robust to noise because independently optimizing the correlation for a single input can easily overfit noise. Moreover, they are not counterfactual because removing an identified subgraph from an input graph does not necessarily change the prediction result. In this paper, we propose a novel method to generate robust counterfactual explanations on GNNs by explicitly modelling the common decision logic of GNNs on similar input graphs. Our explanations are naturally robust to noise because they are produced from the common decision boundaries of a GNN that govern the predictions of many similar input graphs. The explanations are also counterfactual because removing the set of edges identified by an explanation from the input graph changes the prediction significantly. Exhaustive experiments on many public datasets demonstrate the superior performance of our method.




Knowledge graph embedding models learn the representations of entities and relations in the knowledge graphs for predicting missing links (relations) between entities. Their effectiveness are deeply affected by the ability of modeling and inferring different relation patterns such as symmetry, asymmetry, inversion, composition and transitivity. Although existing models are already able to model many of these relations patterns, transitivity, a very common relation pattern, is still not been fully supported. In this paper, we first theoretically show that the transitive relations can be modeled with projections. We then propose the Rot-Pro model which combines the projection and relational rotation together. We prove that Rot-Pro can infer all the above relation patterns. Experimental results show that the proposed Rot-Pro model effectively learns the transitivity pattern and achieves the state-of-the-art results on the link prediction task in the datasets containing transitive relations.

Augmenting pre-trained language models with knowledge graphs (KGs) has achieved success on various commonsense reasoning tasks. However, for a given task instance, the KG, or certain parts of the KG, may not be useful. Although KG-augmented models often use attention to focus on specific KG components, the KG is still always used, and the attention mechanism is never explicitly taught which KG components should be used. Meanwhile, saliency methods can measure how much a KG feature (e.g., graph, node, path) influences the model to make the correct prediction, thus explaining which KG features are useful. This paper explores how saliency explanations can be used to improve KG-augmented models' performance. First, we propose to create coarse (Is the KG useful?) and fine (Which nodes/paths in the KG are useful?) saliency explanations. Second, to motivate saliency-based supervision, we analyze oracle KG-augmented models which directly use saliency explanations as extra inputs for guiding their attention. Third, we propose SalKG, a framework for KG-augmented models to learn from coarse and/or fine saliency explanations. Given saliency explanations created from a task's training set, SalKG jointly trains the model to predict the explanations, then solve the task by attending to KG features highlighted by the predicted …

Fairness and robustness are critical elements of Trustworthy AI that need to be addressed together. Fairness is about learning an unbiased model while robustness is about learning from corrupted data, and it is known that addressing only one of them may have an adverse affect on the other. In this work, we propose a sample selection-based algorithm for fair and robust training. To this end, we formulate a combinatorial optimization problem for the unbiased selection of samples in the presence of data corruption. Observing that solving this optimization problem is strongly NP-hard, we propose a greedy algorithm that is efficient and effective in practice. Experiments show that our method obtains fairness and robustness that are better than or comparable to the state-of-the-art technique, both on synthetic and benchmark real datasets. Moreover, unlike other fair and robust training baselines, our algorithm can be used by only modifying the sampling step in batch selection without changing the training algorithm or leveraging additional clean data.

We investigate how fairness relaxations scale to flexible classifiers like deep neural networks for images and text. We analyze an easy-to-use and robust way of imposing fairness constraints when training, and through this framework prove that some prior fairness surrogates exhibit degeneracies for non-convex models. We resolve these problems via three new surrogates: an adaptive data re-weighting, and two smooth upper-bounds that are provably more robust than some previous methods. Our surrogates perform comparably to the state-of-the-art on low-dimensional fairness benchmarks, while achieving superior accuracy and stability for more complex computer vision and natural language processing tasks.


Large scale training requires massive parallelism to finish the training within a reasonable amount of time. To support massive parallelism, large batch training is the key enabler but often at the cost of generalization performance. Existing works explore adaptive batching or hand-tuned static large batching, in order to strike a balance between the computational efficiency and the performance. However, these methods can provide only coarse-grained adaption (e.g., at a epoch level) due to the intrinsic expensive calculation or hand tuning requirements. In this paper, we propose a fully automated and lightweight adaptive batching methodology to enable fine-grained batch size adaption (e.g., at a mini-batch level) that can achieve state-of-the-art performance with record breaking batch sizes. The core component of our method is a lightweight yet efficient representation of the critical gradient noise information. We open-source the proposed methodology by providing a plugin tool that supports mainstream machine learning frameworks. Extensive evaluations on popular benchmarks (e.g., CIFAR10, ImageNet, and BERT-Large) demonstrate that the proposed methodology outperforms state-of-the-art methodologies using adaptive batching approaches or hand-tuned static strategies in both performance and batch size. Particularly, we achieve a new state-of-the-art batch size of 78k in BERT-Large pretraining with SQuAD score 90.69 compared to …

Pairwise learning refers to learning tasks where the loss function depends on a pair of instances. It instantiates many important machine learning tasks such as bipartite ranking and metric learning. A popular approach to handle streaming data in pairwise learning is an online gradient descent (OGD) algorithm, where one needs to pair the current instance with a buffering set of previous instances with a sufficiently large size and therefore suffers from a scalability issue. In this paper, we propose simple stochastic and online gradient descent methods for pairwise learning. A notable difference from the existing studies is that we only pair the current instance with the previous one in building a gradient direction, which is efficient in both the storage and computational complexity. We develop novel stability results, optimization, and generalization error bounds for both convex and nonconvex as well as both smooth and nonsmooth problems. We introduce novel techniques to decouple the dependency of models and the previous instance in both the optimization and generalization analysis. Our study resolves an open question on developing meaningful generalization bounds for OGD using a buffering set with a very small fixed size. We also extend our algorithms and stability analysis to develop …

Many probabilistic modeling problems in machine learning use gradient-based optimization in which the objective takes the form of an expectation. These problems can be challenging when the parameters to be optimized determine the probability distribution under which the expectation is being taken, as the na\"ive Monte Carlo procedure is not differentiable. Reparameterization gradients make it possible to efficiently perform optimization of these Monte Carlo objectives by transforming the expectation to be differentiable, but the approach is typically limited to distributions with simple forms and tractable normalization constants. Here we describe how to differentiate samples from slice sampling to compute \textit{slice sampling reparameterization gradients}, enabling a richer class of Monte Carlo objective functions to be optimized. Slice sampling is a Markov chain Monte Carlo algorithm for simulating samples from probability distributions; it only requires a density function that can be evaluated point-wise up to a normalization constant, making it applicable to a variety of inference problems and unnormalized models. Our approach is based on the observation that when the slice endpoints are known, the sampling path is a deterministic and differentiable function of the pseudo-random variables, since the algorithm is rejection-free. We evaluate the method on synthetic examples and apply it …

Vision transformers (ViTs) have pushed the state-of-the-art for various visual recognition tasks by patch-wise image tokenization followed by self-attention. However, the employment of self-attention modules results in a quadratic complexity in both computation and memory usage. Various attempts on approximating the self-attention computation with linear complexity have been made in Natural Language Processing. However, an in-depth analysis in this work shows that they are either theoretically flawed or empirically ineffective for visual recognition. We further identify that their limitations are rooted in keeping the softmax self-attention during approximations. Specifically, conventional self-attention is computed by normalizing the scaled dot-product between token feature vectors. Keeping this softmax operation challenges any subsequent linearization efforts. Based on this insight, for the first time, a softmax-free transformer or SOFT is proposed. To remove softmax in self-attention, Gaussian kernel function is used to replace the dot-product similarity without further normalization. This enables a full self-attention matrix to be approximated via a low-rank matrix decomposition. The robustness of the approximation is achieved by calculating its Moore-Penrose inverse using a Newton-Raphson method. Extensive experiments on ImageNet show that our SOFT significantly improves the computational efficiency of existing ViT variants. Crucially, with a linear complexity, much longer token sequences …

Recent advances in the design of neural network architectures, in particular those specialized in modeling sequences, have provided significant improvements in speech separation performance. In this work, we propose to use a bio-inspired architecture called Fully Recurrent Convolutional Neural Network (FRCNN) to solve the separation task. This model contains bottom-up, top-down and lateral connections to fuse information processed at various time-scales represented by stages. In contrast to the traditional approach updating stages in parallel, we propose to first update the stages one by one in the bottom-up direction, then fuse information from adjacent stages simultaneously and finally fuse information from all stages to the bottom stage together. Experiments showed that this asynchronous updating scheme achieved significantly better results with much fewer parameters than the traditional synchronous updating scheme on speech separation. In addition, the proposed model achieved competitive or better results with high efficiency as compared to other state-of-the-art approaches on two benchmark datasets.
The (gradient-based) bilevel programming framework is widely used in hyperparameter optimization and has achieved excellent performance empirically. Previous theoretical work mainly focuses on its optimization properties, while leaving the analysis on generalization largely open. This paper attempts to address the issue by presenting an expectation bound w.r.t. the validation set based on uniform stability. Our results can explain some mysterious behaviours of the bilevel programming in practice, for instance, overfitting to the validation set. We also present an expectation bound for the classical cross-validation algorithm. Our results suggest that gradient-based algorithms can be better than cross-validation under certain conditions in a theoretical perspective. Furthermore, we prove that regularization terms in both the outer and inner levels can relieve the overfitting problem in gradient-based algorithms. In experiments on feature learning and data reweighting for noisy labels, we corroborate our theoretical findings.


In imperfect-information games, subgame solving is significantly more challenging than in perfect-information games, but in the last few years, such techniques have been developed. They were the key ingredient to the milestone of superhuman play in no-limit Texas hold'em poker. Current subgame-solving techniques analyze the entire common-knowledge closure of the player's current information set, that is, the smallest set of nodes within which it is common knowledge that the current node lies. While this is acceptable in games like poker where the common-knowledge closure is relatively small, many practical games have more complex information structure, which renders the common-knowledge closure impractically large to enumerate or even reasonably approximate. We introduce an approach that overcomes this obstacle, by instead working with only low-order knowledge. Our approach allows an agent, upon arriving at an infoset, to basically prune any node that is no longer reachable, thereby massively reducing the game tree size relative to the common-knowledge subgame. We prove that, as is, our approach can increase exploitability compared to the blueprint strategy. However, we develop three avenues by which safety can be guaranteed. First, safety is guaranteed if the results of subgame solves are incorporated back into the blueprint. Second, we provide …

Graphs have been widely used in data mining and machine learning due to their unique representation of real-world objects and their interactions. As graphs are getting bigger and bigger nowadays, it is common to see their subgraphs separately collected and stored in multiple local systems. Therefore, it is natural to consider the subgraph federated learning setting, where each local system holds a small subgraph that may be biased from the distribution of the whole graph. Hence, the subgraph federated learning aims to collaboratively train a powerful and generalizable graph mining model without directly sharing their graph data. In this work, towards the novel yet realistic setting of subgraph federated learning, we propose two major techniques: (1) FedSage, which trains a GraphSage model based on FedAvg to integrate node features, link structures, and task labels on multiple local subgraphs; (2) FedSage+, which trains a missing neighbor generator along FedSage to deal with missing links across local subgraphs. Empirical results on four real-world graph datasets with synthesized subgraph federated learning settings demonstrate the effectiveness and efficiency of our proposed techniques. At the same time, consistent theoretical implications are made towards their generalization ability on the global graphs.

Dealing with severe class imbalance poses a major challenge for many real-world applications, especially when the accurate classification and generalization of minority classes are of primary interest.In computer vision and NLP, learning from datasets with long-tail behavior is a recurring theme, especially for naturally occurring labels. Existing solutions mostly appeal to sampling or weighting adjustments to alleviate the extreme imbalance, or impose inductive bias to prioritize generalizable associations. Here we take a novel perspective to promote sample efficiency and model generalization based on the invariance principles of causality. Our contribution posits a meta-distributional scenario, where the causal generating mechanism for label-conditional features is invariant across different labels. Such causal assumption enables efficient knowledge transfer from the dominant classes to their under-represented counterparts, even if their feature distributions show apparent disparities. This allows us to leverage a causal data augmentation procedure to enlarge the representation of minority classes. Our development is orthogonal to the existing imbalanced data learning techniques thus can be seamlessly integrated. The proposed approach is validated on an extensive set of synthetic and real-world tasks against state-of-the-art solutions.

A neural network model of a differential equation, namely neural ODE, has enabled the learning of continuous-time dynamical systems and probabilistic distributions with high accuracy. The neural ODE uses the same network repeatedly during a numerical integration. The memory consumption of the backpropagation algorithm is proportional to the number of uses times the network size. This is true even if a checkpointing scheme divides the computation graph into sub-graphs. Otherwise, the adjoint method obtains a gradient by a numerical integration backward in time. Although this method consumes memory only for a single network use, it requires high computational cost to suppress numerical errors. This study proposes the symplectic adjoint method, which is an adjoint method solved by a symplectic integrator. The symplectic adjoint method obtains the exact gradient (up to rounding error) with memory proportional to the number of uses plus the network size. The experimental results demonstrate that the symplectic adjoint method consumes much less memory than the naive backpropagation algorithm and checkpointing schemes, performs faster than the adjoint method, and is more robust to rounding errors.

Recent research suggests that systematic generalization in natural language understanding remains a challenge for state-of-the-art neural models such as Transformers and Graph Neural Networks. To tackle this challenge, we propose Edge Transformer, a new model that combines inspiration from Transformers and rule-based symbolic AI. The first key idea in Edge Transformers is to associate vector states with every edge, that is, with every pair of input nodes---as opposed to just every node, as it is done in the Transformer model. The second major innovation is a triangular attention mechanism that updates edge representations in a way that is inspired by unification from logic programming. We evaluate Edge Transformer on compositional generalization benchmarks in relational reasoning, semantic parsing, and dependency parsing. In all three settings, the Edge Transformer outperforms Relation-aware, Universal and classical Transformer baselines.

Many experts argue that the future of artificial intelligence is limited by the field’s ability to integrate symbolic logical reasoning into deep learning architectures. The recently proposed differentiable MAXSAT solver, SATNet, was a breakthrough in its capacity to integrate with a traditional neural network and solve visual reasoning problems. For instance, it can learn the rules of Sudoku purely from image examples. Despite its success, SATNet was shown to succumb to a key challenge in neurosymbolic systems known as the Symbol Grounding Problem: the inability to map visual inputs to symbolic variables without explicit supervision ("label leakage"). In this work, we present a self-supervised pre-training pipeline that enables SATNet to overcome this limitation, thus broadening the class of problems that SATNet architectures can solve to include datasets where no intermediary labels are available at all. We demonstrate that our method allows SATNet to attain full accuracy even with a harder problem setup that prevents any label leakage. We additionally introduce a proofreading method that further improves the performance of SATNet architectures, beating the state-of-the-art on Visual Sudoku.

Stochastic gradient descent (SGD) exhibits strong algorithmic regularization effects in practice, which has been hypothesized to play an important role in the generalization of modern machine learning approaches. In this work, we seek to understand these issues in the simpler setting of linear regression (including both underparameterized and overparameterized regimes), where our goal is to make sharp instance-based comparisons of the implicit regularization afforded by (unregularized) average SGD with the explicit regularization of ridge regression. For a broad class of least squares problem instances (that are natural in high-dimensional settings), we show: (1) for every problem instance and for every ridge parameter, (unregularized) SGD, when provided with \emph{logarithmically} more samples than that provided to the ridge algorithm, generalizes no worse than the ridge solution (provided SGD uses a tuned constant stepsize); (2) conversely, there exist instances (in this wide problem class) where optimally-tuned ridge regression requires \emph{quadratically} more samples than SGD in order to have the same generalization performance. Taken together, our results show that, up to the logarithmic factors, the generalization performance of SGD is always no worse than that of ridge regression in a wide range of overparameterized problems, and, in fact, could be much better for some …


Consider learning a generative model for time-series data. The sequential setting poses a unique challenge: Not only should the generator capture the conditional dynamics of (stepwise) transitions, but its open-loop rollouts should also preserve the joint distribution of (multi-step) trajectories. On one hand, autoregressive models trained by MLE allow learning and computing explicit transition distributions, but suffer from compounding error during rollouts. On the other hand, adversarial models based on GAN training alleviate such exposure bias, but transitions are implicit and hard to assess. In this work, we study a generative framework that seeks to combine the strengths of both: Motivated by a moment-matching objective to mitigate compounding error, we optimize a local (but forward-looking) transition policy, where the reinforcement signal is provided by a global (but stepwise-decomposable) energy model trained by contrastive estimation. At training, the two components are learned cooperatively, avoiding the instabilities typical of adversarial objectives. At inference, the learned policy serves as the generator for iterative sampling, and the learned energy serves as a trajectory-level measure for evaluating sample quality. By expressly training a policy to imitate sequential behavior of time-series features in a dataset, this approach embodies "generation by imitation". Theoretically, we …

In this work we seek to bridge the concepts of topographic organization and equivariance in neural networks. To accomplish this, we introduce the Topographic VAE: a novel method for efficiently training deep generative models with topographically organized latent variables. We show that such a model indeed learns to organize its activations according to salient characteristics such as digit class, width, and style on MNIST. Furthermore, through topographic organization over time (i.e. temporal coherence), we demonstrate how predefined latent space transformation operators can be encouraged for observed transformed input sequences -- a primitive form of unsupervised learned equivariance. We demonstrate that this model successfully learns sets of approximately equivariant features (i.e. "capsules") directly from sequences and achieves higher likelihood on correspondingly transforming test sequences. Equivariance is verified quantitatively by measuring the approximate commutativity of the inference network and the sequence transformations. Finally, we demonstrate approximate equivariance to complex transformations, expanding upon the capabilities of existing group equivariant neural networks.

Neural networks can represent and accurately reconstruct radiance fields for static 3D scenes (e.g., NeRF). Several works extend these to dynamic scenes captured with monocular video, with promising performance. However, the monocular setting is known to be an under-constrained problem, and so methods rely on data-driven priors for reconstructing dynamic content. We replace these priors with measurements from a time-of-flight (ToF) camera, and introduce a neural representation based on an image formation model for continuous-wave ToF cameras. Instead of working with processed depth maps, we model the raw ToF sensor measurements to improve reconstruction quality and avoid issues with low reflectance regions, multi-path interference, and a sensor's limited unambiguous depth range. We show that this approach improves robustness of dynamic scene reconstruction to erroneous calibration and large motions, and discuss the benefits and limitations of integrating RGB+ToF sensors now available on modern smartphones.

Retrosynthesis is the process of identifying a set of reactants to synthesize a target molecule. It is of vital importance to material design and drug discovery. Existing machine learning approaches based on language models and graph neural networks have achieved encouraging results. However, the inner connections of these models are rarely discussed, and rigorous evaluations of these models are largely in need. In this paper, we propose a framework that unifies sequence- and graph-based methods as energy-based models (EBMs) with different energy functions. This unified view establishes connections and reveals the differences between models, thereby enhancing our understanding of model design. We also provide a comprehensive assessment of performance to the community. Moreover, we present a novel dual variant within the framework that performs consistent training to induce the agreement between forward- and backward-prediction. This model improves the state-of-the-art of template-free methods with or without reaction types.

The recent success of transformer models in language, such as BERT, has motivated the use of such architectures for multi-modal feature learning and tasks. However, most multi-modal variants (e.g., ViLBERT) have limited themselves to visual-linguistic data. Relatively few have explored its use in audio-visual modalities, and none, to our knowledge, illustrate them in the context of granular audio-visual detection or segmentation tasks such as sound source separation and localization. In this work, we introduce TriBERT -- a transformer-based architecture, inspired by ViLBERT, which enables contextual feature learning across three modalities: vision, pose, and audio, with the use of flexible co-attention. The use of pose keypoints is inspired by recent works that illustrate that such representations can significantly boost performance in many audio-visual scenarios where often one or more persons are responsible for the sound explicitly (e.g., talking) or implicitly (e.g., sound produced as a function of human manipulating an object). From a technical perspective, as part of the TriBERT architecture, we introduce a learned visual tokenization scheme based on spatial attention and leverage weak-supervision to allow granular cross-modal interactions for visual and pose modalities. Further, we supplement learning with sound-source separation loss formulated across all three streams. We pre-train our …

Pretrained language models (LMs) perform well on many tasks even when learning from a few examples, but prior work uses many held-out examples to tune various aspects of learning, such as hyperparameters, training objectives, and natural language templates ("prompts"). Here, we evaluate the few-shot ability of LMs when such held-out examples are unavailable, a setting we call true few-shot learning. We test two model selection criteria, cross-validation and minimum description length, for choosing LM prompts and hyperparameters in the true few-shot setting. On average, both marginally outperform random selection and greatly underperform selection based on held-out examples. Moreover, selection criteria often prefer models that perform significantly worse than randomly-selected ones. We find similar results even when taking into account our uncertainty in a model's true performance during selection, as well as when varying the amount of computation and number of examples used for selection. Overall, our findings suggest that prior work significantly overestimated the true few-shot ability of LMs given the difficulty of few-shot model selection.


Datasets for training machine learning models tend to be biased unless the data is collected with complete care. In such a biased dataset, models are susceptible to making predictions based on the biased features of the data. The biased model fails to generalize to the case where correlations between biases and targets are shifted. To mitigate this, we propose Bias-Contrastive (BiasCon) loss based on the contrastive learning framework, which effectively leverages the knowledge of bias labels. We further suggest Bias-Balanced (BiasBal) regression which trains the classification model toward the data distribution with balanced target-bias correlation. Furthermore, we propose Soft Bias-Contrastive (SoftCon) loss which handles the dataset without bias labels by softening the pair assignment of the BiasCon loss based on the distance in the feature space of the bias-capturing model. Our experiments show that our proposed methods significantly improve previous debiasing methods in various realistic datasets.

Offline reinforcement learning (offline RL), which aims to find an optimal policy from a previously collected static dataset, bears algorithmic difficulties due to function approximation errors from out-of-distribution (OOD) data points. To this end, offline RL algorithms adopt either a constraint or a penalty term that explicitly guides the policy to stay close to the given dataset. However, prior methods typically require accurate estimation of the behavior policy or sampling from OOD data points, which themselves can be a non-trivial problem. Moreover, these methods under-utilize the generalization ability of deep neural networks and often fall into suboptimal solutions too close to the given dataset. In this work, we propose an uncertainty-based offline RL method that takes into account the confidence of the Q-value prediction and does not require any estimation or sampling of the data distribution. We show that the clipped Q-learning, a technique widely used in online RL, can be leveraged to successfully penalize OOD data points with high prediction uncertainties. Surprisingly, we find that it is possible to substantially outperform existing offline RL methods on various tasks by simply increasing the number of Q-networks along with the clipped Q-learning. Based on this observation, we propose an ensemble-diversified actor-critic …

The memorization effect of deep neural network (DNN) plays a pivotal role in many state-of-the-art label-noise learning methods. To exploit this property, the early stopping trick, which stops the optimization at the early stage of training, is usually adopted. Current methods generally decide the early stopping point by considering a DNN as a whole. However, a DNN can be considered as a composition of a series of layers, and we find that the latter layers in a DNN are much more sensitive to label noise, while their former counterparts are quite robust. Therefore, selecting a stopping point for the whole network may make different DNN layers antagonistically affect each other, thus degrading the final performance. In this paper, we propose to separate a DNN into different parts and progressively train them to address this problem. Instead of the early stopping which trains a whole DNN all at once, we initially train former DNN layers by optimizing the DNN with a relatively large number of epochs. During training, we progressively train the latter DNN layers by using a smaller number of epochs with the preceding layers fixed to counteract the impact of noisy labels. We term the proposed method as progressive …

In this paper we study the training dynamics for gradient flow on over-parametrized tensor decomposition problems. Empirically, such training process often first fits larger components and then discovers smaller components, which is similar to a tensor deflation process that is commonly used in tensor decomposition algorithms. We prove that for orthogonally decomposable tensor, a slightly modified version of gradient flow would follow a tensor deflation process and recover all the tensor components. Our proof suggests that for orthogonal tensors, gradient flow dynamics works similarly as greedy low-rank learning in the matrix setting, which is a first step towards understanding the implicit regularization effect of over-parametrized models for low-rank tensors.

Instance-based interpretation methods have been widely studied for supervised learning methods as they help explain how black box neural networks predict. However, instance-based interpretations remain ill-understood in the context of unsupervised learning. In this paper, we investigate influence functions [Koh and Liang, 2017], a popular instance-based interpretation method, for a class of deep generative models called variational auto-encoders (VAE). We formally frame the counter-factual question answered by influence functions in this setting, and through theoretical analysis, examine what they reveal about the impact of training samples on classical unsupervised learning methods. We then introduce VAE- TracIn, a computationally efficient and theoretically sound solution based on Pruthi et al. [2020], for VAEs. Finally, we evaluate VAE-TracIn on several real world datasets with extensive quantitative and qualitative analysis.

Selective rationalization explains the prediction of complex neural networks by finding a small subset of the input that is sufficient to predict the neural model output. The selection mechanism is commonly integrated into the model itself by specifying a two-component cascaded system consisting of a rationale generator, which makes a binary selection of the input features (which is the rationale), and a predictor, which predicts the output based only on the selected features. The components are trained jointly to optimize prediction performance. In this paper, we reveal a major problem with such cooperative rationalization paradigm --- model interlocking. Inter-locking arises when the predictor overfits to the features selected by the generator thus reinforcing the generator's selection even if the selected rationales are sub-optimal. The fundamental cause of the interlocking problem is that the rationalization objective to be minimized is concave with respect to the generator’s selection policy. We propose a new rationalization framework, called A2R, which introduces a third component into the architecture, a predictor driven by soft attention as opposed to selection. The generator now realizes both soft and hard attention over the features and these are fed into the two different predictors. While the generator still seeks to …


We study reinforcement learning (RL) with linear function approximation. Existing algorithms for this problem only have high-probability regret and/or Probably Approximately Correct (PAC) sample complexity guarantees, which cannot guarantee the convergence to the optimal policy. In this paper, in order to overcome the limitation of existing algorithms, we propose a new algorithm called FLUTE, which enjoys uniform-PAC convergence to the optimal policy with high probability. The uniform-PAC guarantee is the strongest possible guarantee for reinforcement learning in the literature, which can directly imply both PAC and high probability regret bounds, making our algorithm superior to all existing algorithms with linear function approximation. At the core of our algorithm is a novel minimax value function estimator and a multi-level partition scheme to select the training samples from historical observations. Both of these techniques are new and of independent interest.

Episodic training is a core ingredient of few-shot learning to train models on tasks with limited labelled data. Despite its success, episodic training remains largely understudied, prompting us to ask the question: what is the best way to sample episodes? In this paper, we first propose a method to approximate episode sampling distributions based on their difficulty. Building on this method, we perform an extensive analysis and find that sampling uniformly over episode difficulty outperforms other sampling schemes, including curriculum and easy-/hard-mining. As the proposed sampling method is algorithm agnostic, we can leverage these insights to improve few-shot learning accuracies across many episodic training algorithms. We demonstrate the efficacy of our method across popular few-shot learning datasets, algorithms, network architectures, and protocols.



Recent years have witnessed an increasing use of coordinated accounts on social media, operated by misinformation campaigns to influence public opinion and manipulate social outcomes. Consequently, there is an urgent need to develop an effective methodology for coordinated group detection to combat the misinformation on social media. However, existing works suffer from various drawbacks, such as, either limited performance due to extreme reliance on predefined signatures of coordination, or instead an inability to address the natural sparsity of account activities on social media with useful prior domain knowledge. Therefore, in this paper, we propose a coordination detection framework incorporating neural temporal point process with prior knowledge such as temporal logic or pre-defined filtering functions. Specifically, when modeling the observed data from social media with neural temporal point process, we jointly learn a Gibbs-like distribution of group assignment based on how consistent an assignment is to (1) the account embedding space and (2) the prior knowledge. To address the challenge that the distribution is hard to be efficiently computed and sampled from, we design a theoretically guaranteed variational inference approach to learn a mean-field approximation for it. Experimental results on a real-world dataset show the effectiveness of our proposed method compared …

This work explores the Benevolent Training Hypothesis (BTH) which argues that the complexity of the function a deep neural network (NN) is learning can be deduced by its training dynamics. Our analysis provides evidence for BTH by relating the NN's Lipschitz constant at different regions of the input space with the behavior of the stochastic training procedure. We first observe that the Lipschitz constant close to the training data affects various aspects of the parameter trajectory, with more complex networks having a longer trajectory, bigger variance, and often veering further from their initialization. We then show that NNs whose 1st layer bias is trained more steadily (i.e., slowly and with little variation) have bounded complexity even in regions of the input space that are far from any training point. Finally, we find that steady training with Dropout implies a training- and data-dependent generalization bound that grows poly-logarithmically with the number of parameters. Overall, our results support the intuition that good training behavior can be a useful bias towards good generalization.

Mutual information (MI) maximization provides an appealing formalism for learning representations of data. In the context of reinforcement learning (RL), such representations can accelerate learning by discarding irrelevant and redundant information, while retaining the information necessary for control. Much prior work on these methods has addressed the practical difficulties of estimating MI from samples of high-dimensional observations, while comparatively less is understood about which MI objectives yield representations that are sufficient for RL from a theoretical perspective. In this paper, we formalize the sufficiency of a state representation for learning and representing the optimal policy, and study several popular MI based objectives through this lens. Surprisingly, we find that two of these objectives can yield insufficient representations given mild and common assumptions on the structure of the MDP. We corroborate our theoretical results with empirical experiments on a simulated game environment with visual observations.

The lottery ticket hypothesis (LTH) states that learning on a properly pruned network (the winning ticket) has improved test accuracy over the original unpruned network. Although LTH has been justified empirically in a broad range of deep neural network (DNN) involved applications like computer vision and natural language processing, the theoretical validation of the improved generalization of a winning ticket remains elusive. To the best of our knowledge, our work, for the first time, characterizes the performance of training a pruned neural network by analyzing the geometric structure of the objective function and the sample complexity to achieve zero generalization error. We show that the convex region near a desirable model with guaranteed generalization enlarges as the neural network model is pruned, indicating the structural importance of a winning ticket. Moreover, as the algorithm for training a pruned neural network is specified as an (accelerated) stochastic gradient descent algorithm, we theoretically show that the number of samples required for achieving zero generalization error is proportional to the number of the non-pruned weights in the hidden layer. With a fixed number of samples, training a pruned neural network enjoys a faster convergence rate to the desired model than training the original …
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