3D pose transfer is one of the most challenging 3D generation tasks. It aims to transfer the pose of a source mesh to a target mesh and keep the identity (e.g., body shape) of the target mesh. Some previous works require key point annotations to build reliable correspondence between the source and target meshes, while other methods do not consider any shape correspondence between sources and targets, which leads to limited generation quality. In this work, we propose a correspondence-refinement network to achieve the 3D pose transfer for both human and animal meshes. The correspondence between source and target meshes is first established by solving an optimal transport problem. Then, we warp the source mesh according to the dense correspondence and obtain a coarse warped mesh. The warped mesh will be better refined with our proposed Elastic Instance Normalization, which is a conditional normalization layer and can help to generate high-quality meshes. Extensive experimental results show that the proposed architecture can effectively transfer the poses from source to target meshes and produce better results with satisfied visual performance than state-of-the-art methods.

Iterative solvers are widely used to accurately simulate physical systems. These solvers require initial guesses to generate a sequence of improving approximate solutions. In this contribution, we introduce a novel method to accelerate iterative solvers for rod dynamics with graph networks (GNs) by predicting the initial guesses to reduce the number of iterations. Unlike existing methods that aim to learn physical systems in an end-to-end manner, our approach guarantees long-term stability and therefore leads to more accurate solutions. Furthermore, our method improves the run time performance of traditional iterative solvers for rod dynamics. To explore our method we make use of position-based dynamics (PBD) as a common solver for physical systems and evaluate it by simulating the dynamics of elastic rods. Our approach is able to generalize across different initial conditions, discretizations, and realistic material properties. We demonstrate that it also performs well when taking discontinuous effects into account such as collisions between individual rods. Finally, to illustrate the scalability of our approach, we simulate complex 3D tree models composed of over a thousand individual branch segments swaying in wind fields.

The ability of forecasting future human motion is important for human-machine interaction systems to understand human behaviors and make interaction. In this work, we focus on developing models to predict future human motion from past observed video frames. Motivated by the observation that human motion is closely related to the action being performed, we propose to explore action context to guide motion prediction. Specifically, we construct an action-specific memory bank to store representative motion dynamics for each action category, and design a query-read process to retrieve some motion dynamics from the memory bank. The retrieved dynamics are consistent with the action depicted in the observed video frames and serve as a strong prior knowledge to guide motion prediction. We further formulate an action constraint loss to ensure the global semantic consistency of the predicted motion. Extensive experiments demonstrate the effectiveness of the proposed approach, and we achieve state-of-the-art performance on 3D human motion prediction.

To tackle interpretability in deep learning, we present a novel framework to jointly learn a predictive model and its associated interpretation model. The interpreter provides both local and global interpretability about the predictive model in terms of human-understandable high level attribute functions, with minimal loss of accuracy. This is achieved by a dedicated architecture and well chosen regularization penalties. We seek for a small-size dictionary of high level attribute functions that take as inputs the outputs of selected hidden layers and whose outputs feed a linear classifier. We impose strong conciseness on the activation of attributes with an entropy-based criterion while enforcing fidelity to both inputs and outputs of the predictive model. A detailed pipeline to visualize the learnt features is also developed. Moreover, besides generating interpretable models by design, our approach can be specialized to provide post-hoc interpretations for a pre-trained neural network. We validate our approach against several state-of-the-art methods on multiple datasets and show its efficacy on both kinds of tasks.

In this paper, we present token labeling---a new training objective for training high-performance vision transformers (ViTs). Different from the standard training objective of ViTs that computes the classification loss on an additional trainable class token, our proposed one takes advantage of all the image patch tokens to compute the training loss in a dense manner. Specifically, token labeling reformulates the image classification problem into multiple token-level recognition problems and assigns each patch token with an individual location-specific supervision generated by a machine annotator. Experiments show that token labeling can clearly and consistently improve the performance of various ViT models across a wide spectrum. For a vision transformer with 26M learnable parameters serving as an example, with token labeling, the model can achieve 84.4% Top-1 accuracy on ImageNet. The result can be further increased to 86.4% by slightly scaling the model size up to 150M, delivering the minimal-sized model among previous models (250M+) reaching 86%. We also show that token labeling can clearly improve the generalization capability of the pretrained models on downstream tasks with dense prediction, such as semantic segmentation. Our code and model are publiclyavailable at https://github.com/zihangJiang/TokenLabeling.

Deep networks have shown remarkable results in the task of object detection. However, their performance suffers critical drops when they are subsequently trained on novel classes without any sample from the base classes originally used to train the model. This phenomenon is known as catastrophic forgetting. Recently, several incremental learning methods are proposed to mitigate catastrophic forgetting for object detection. Despite the effectiveness, these methods require co-occurrence of the unlabeled base classes in the training data of the novel classes. This requirement is impractical in many real-world settings since the base classes do not necessarily co-occur with the novel classes. In view of this limitation, we consider a more practical setting of complete absence of co-occurrence of the base and novel classes for the object detection task. We propose the use of unlabeled in-the-wild data to bridge the non co-occurrence caused by the missing base classes during the training of additional novel classes. To this end, we introduce a blind sampling strategy based on the responses of the base-class model and pre-trained novel-class model to select a smaller relevant dataset from the large in-the-wild dataset for incremental learning. We then design a dual-teacher distillation framework to transfer the knowledge distilled …

Most existing animal pose and shape estimation approaches reconstruct animal meshes with a parametric SMAL model. This is because the low-dimensional pose and shape parameters of the SMAL model makes it easier for deep networks to learn the high-dimensional animal meshes. However, the SMAL model is learned from scans of toy animals with limited pose and shape variations, and thus may not be able to represent highly varying real animals well. This may result in poor fittings of the estimated meshes to the 2D evidences, e.g. 2D keypoints or silhouettes. To mitigate this problem, we propose a coarse-to-fine approach to reconstruct 3D animal mesh from a single image. The coarse estimation stage first estimates the pose, shape and translation parameters of the SMAL model. The estimated meshes are then used as a starting point by a graph convolutional network (GCN) to predict a per-vertex deformation in the refinement stage. This combination of SMAL-based and vertex-based representations benefits from both parametric and non-parametric representations. We design our mesh refinement GCN (MRGCN) as an encoder-decoder structure with hierarchical feature representations to overcome the limited receptive field of traditional GCNs. Moreover, we observe that the global image feature used by existing animal mesh …

Adapting large-scale pretrained language models to downstream tasks via fine-tuning is the standard method for achieving state-of-the-art performance on NLP benchmarks. However, fine-tuning all weights of models with millions or billions of parameters is sample-inefficient, unstable in low-resource settings, and wasteful as it requires storing a separate copy of the model for each task. Recent work has developed parameter-efficient fine-tuning methods, but these approaches either still require a relatively large number of parameters or underperform standard fine-tuning. In this work, we propose Compacter, a method for fine-tuning large-scale language models with a better trade-off between task performance and the number of trainable parameters than prior work. Compacter accomplishes this by building on top of ideas from adapters, low-rank optimization, and parameterized hypercomplex multiplication layers.Specifically, Compacter inserts task-specific weight matrices into a pretrained model's weights, which are computed efficiently as a sum of Kronecker products between shared slow'' weights andfast'' rank-one matrices defined per Compacter layer. By only training 0.047% of a pretrained model's parameters, Compacter performs on par with standard fine-tuning on GLUE and outperforms standard fine-tuning on SuperGLUE and low-resource settings. Our code is publicly available at https://github.com/rabeehk/compacter.

Min-max optimization problems (i.e., min-max games) have been attracting a great deal of attention because of their applicability to a wide range of machine learning problems. Although significant progress has been made recently, the literature to date has focused on games with independent strategy sets; little is known about solving games with dependent strategy sets, which can be characterized as min-max Stackelberg games. We introduce two first-order methods that solve a large class of convex-concave min-max Stackelberg games, and show that our methods converge in polynomial time. Min-max Stackelberg games were first studied by Wald, under the posthumous name of Wald’s maximin model, a variant of which is the main paradigm used in robust optimization, which means that our methods can likewise solve many convex robust optimization problems. We observe that the computation of competitive equilibria in Fisher markets also comprises a min-max Stackelberg game. Further, we demonstrate the efficacy and efficiency of our algorithms in practice by computing competitive equilibria in Fisher markets with varying utility structures. Our experiments suggest potential ways to extend our theoretical results, by demonstrating how different smoothness properties can affect the convergence rate of our algorithms.

The success of deep learning sparked interest in whether the brain learns by using similar techniques for assigning credit to each synaptic weight for its contribution to the network output. However, the majority of current attempts at biologically-plausible learning methods are either non-local in time, require highly specific connectivity motifs, or have no clear link to any known mathematical optimization method. Here, we introduce Deep Feedback Control (DFC), a new learning method that uses a feedback controller to drive a deep neural network to match a desired output target and whose control signal can be used for credit assignment. The resulting learning rule is fully local in space and time and approximates Gauss-Newton optimization for a wide range of feedback connectivity patterns. To further underline its biological plausibility, we relate DFC to a multi-compartment model of cortical pyramidal neurons with a local voltage-dependent synaptic plasticity rule, consistent with recent theories of dendritic processing. By combining dynamical system theory with mathematical optimization theory, we provide a strong theoretical foundation for DFC that we corroborate with detailed results on toy experiments and standard computer-vision benchmarks.

Multiple lines of evidence suggest that predictive models may benefit from algorithmic triage. Under algorithmic triage, a predictive model does not predict all instances but instead defers some of them to human experts. However, the interplay between the prediction accuracy of the model and the human experts under algorithmic triage is not well understood. In this work, we start by formally characterizing under which circumstances a predictive model may benefit from algorithmic triage. In doing so, we also demonstrate that models trained for full automation may be suboptimal under triage. Then, given any model and desired level of triage, we show that the optimal triage policy is a deterministic threshold rule in which triage decisions are derived deterministically by thresholding the difference between the model and human errors on a per-instance level. Building upon these results, we introduce a practical gradient-based algorithm that is guaranteed to find a sequence of predictive models and triage policies of increasing performance. Experiments on a wide variety of supervised learning tasks using synthetic and real data from two important applications---content moderation and scientific discovery---illustrate our theoretical results and show that the models and triage policies provided by our gradient-based algorithm outperform those provided by …

Differentiable programs have recently attracted much interest due to their interpretability, compositionality, and their efficiency to leverage differentiable training. However, synthesizing differentiable programs requires optimizing over a combinatorial, rapidly exploded space of program architectures. Despite the development of effective pruning heuristics, previous works essentially enumerate the discrete search space of program architectures, which is inefficient. We propose to encode program architecture search as learning the probability distribution over all possible program derivations induced by a context-free grammar. This allows the search algorithm to efficiently prune away unlikely program derivations to synthesize optimal program architectures. To this end, an efficient gradient-descent based method is developed to conduct program architecture search in a continuous relaxation of the discrete space of grammar rules. Experiment results on four sequence classification tasks demonstrate that our program synthesizer excels in discovering program architectures that lead to differentiable programs with higher F1 scores, while being more efficient than state-of-the-art program synthesis methods.

Knowledge distillation constitutes a simple yet effective way to improve the performance of a compact student network by exploiting the knowledge of a more powerful teacher. Nevertheless, the knowledge distillation literature remains limited to the scenario where the student and the teacher tackle the same task. Here, we investigate the problem of transferring knowledge not only across architectures but also across tasks. To this end, we study the case of object detection and, instead of following the standard detector-to-detector distillation approach, introduce a classifier-to-detector knowledge transfer framework. In particular, we propose strategies to exploit the classification teacher to improve both the detector's recognition accuracy and localization performance. Our experiments on several detectors with different backbones demonstrate the effectiveness of our approach, allowing us to outperform the state-of-the-art detector-to-detector distillation methods.

In recent years, large-scale deep models have achieved great success, but the huge computational complexity and massive storage requirements make it a great challenge to deploy them in resource-limited devices. As a model compression and acceleration method, knowledge distillation effectively improves the performance of small models by transferring the dark knowledge from the teacher detector. However, most of the existing distillation-based detection methods mainly imitating features near bounding boxes, which suffer from two limitations. First, they ignore the beneficial features outside the bounding boxes. Second, these methods imitate some features which are mistakenly regarded as the background by the teacher detector. To address the above issues, we propose a novel Feature-Richness Score (FRS) method to choose important features that improve generalized detectability during distilling. The proposed method effectively retrieves the important features outside the bounding boxes and removes the detrimental features within the bounding boxes. Extensive experiments show that our methods achieve excellent performance on both anchor-based and anchor-free detectors. For example, RetinaNet with ResNet-50 achieves 39.7% in mAP on the COCO2017 dataset, which even surpasses the ResNet-101 based teacher detector 38.9% by 0.8%. Our implementation is available at https://github.com/duzhixing/FRS.

Domain Generalization (DG) aims to train a model, from multiple observed source domains, in order to perform well on unseen target domains. To obtain the generalization capability, prior DG approaches have focused on extracting domain-invariant information across sources to generalize on target domains, while useful domain-specific information which strongly correlates with labels in individual domains and the generalization to target domains is usually ignored. In this paper, we propose meta-Domain Specific-Domain Invariant (mDSDI) - a novel theoretically sound framework that extends beyond the invariance view to further capture the usefulness of domain-specific information. Our key insight is to disentangle features in the latent space while jointly learning both domain-invariant and domain-specific features in a unified framework. The domain-specific representation is optimized through the meta-learning framework to adapt from source domains, targeting a robust generalization on unseen domains. We empirically show that mDSDI provides competitive results with state-of-the-art techniques in DG. A further ablation study with our generated dataset, Background-Colored-MNIST, confirms the hypothesis that domain-specific is essential, leading to better results when compared with only using domain-invariant.

To utilize the raw inputs and symbolic knowledge simultaneously, some recent neuro-symbolic learning methods use abduction, i.e., abductive reasoning, to integrate sub-symbolic perception and logical inference. While the perception model, e.g., a neural network, outputs some facts that are inconsistent with the symbolic background knowledge base, abduction can help revise the incorrect perceived facts by minimizing the inconsistency between them and the background knowledge. However, to enable effective abduction, previous approaches need an initialized perception model that discriminates the input raw instances. This limits the application of these methods, as the discrimination ability is usually acquired from a thorough pre-training when the raw inputs are difficult to classify. In this paper, we propose a novel abduction strategy, which leverages the similarity between samples, rather than the output information by the perceptual neural network, to guide the search in abduction. Based on this principle, we further present ABductive Learning with Similarity (ABLSim) and apply it to some difficult neuro-symbolic learning tasks. Experiments show that the efficiency of ABLSim is significantly higher than the state-of-the-art neuro-symbolic methods, allowing it to achieve better performance with less labeled data and weaker domain knowledge.

Object detection has achieved substantial progress in the last decade. However, detecting novel classes with only few samples remains challenging, since deep learning under low data regime usually leads to a degraded feature space. Existing works employ a holistic fine-tuning paradigm to tackle this problem, where the model is first pre-trained on all base classes with abundant samples, and then it is used to carve the novel class feature space. Nonetheless, this paradigm is still imperfect. Durning fine-tuning, a novel class may implicitly leverage the knowledge of multiple base classes to construct its feature space, which induces a scattered feature space, hence violating the inter-class separability. To overcome these obstacles, we propose a two-step fine-tuning framework, Few-shot object detection via Association and DIscrimination (FADI), which builds up a discriminative feature space for each novel class with two integral steps. 1) In the association step, in contrast to implicitly leveraging multiple base classes, we construct a compact novel class feature space via explicitly imitating a specific base class feature space. Specifically, we associate each novel class with a base class according to their semantic similarity. After that, the feature space of a novel class can readily imitate the well-trained feature space …

The recently proposed FixMatch achieved state-of-the-art results on most semi-supervised learning (SSL) benchmarks. However, like other modern SSL algorithms, FixMatch uses a pre-defined constant threshold for all classes to select unlabeled data that contribute to the training, thus failing to consider different learning status and learning difficulties of different classes. To address this issue, we propose Curriculum Pseudo Labeling (CPL), a curriculum learning approach to leverage unlabeled data according to the model's learning status. The core of CPL is to flexibly adjust thresholds for different classes at each time step to let pass informative unlabeled data and their pseudo labels. CPL does not introduce additional parameters or computations (forward or backward propagation). We apply CPL to FixMatch and call our improved algorithm FlexMatch. FlexMatch achieves state-of-the-art performance on a variety of SSL benchmarks, with especially strong performances when the labeled data are extremely limited or when the task is challenging. For example, FlexMatch achieves 13.96% and 18.96% error rate reduction over FixMatch on CIFAR-100 and STL-10 datasets respectively, when there are only 4 labels per class. CPL also significantly boosts the convergence speed, e.g., FlexMatch can use only 1/5 training time of FixMatch to achieve even better performance. Furthermore, we …

In this manuscript we consider Kernel Ridge Regression (KRR) under the Gaussian design. Exponents for the decay of the excess generalization error of KRR have been reported in various works under the assumption of power-law decay of eigenvalues of the features co-variance. These decays were, however, provided for sizeably different setups, namely in the noiseless case with constant regularization and in the noisy optimally regularized case. Intermediary settings have been left substantially uncharted. In this work, we unify and extend this line of work, providing characterization of all regimes and excess error decay rates that can be observed in terms of the interplay of noise and regularization. In particular, we show the existence of a transition in the noisy setting between the noiseless exponents to its noisy values as the sample complexity is increased. Finally, we illustrate how this crossover can also be observed on real data sets.

Modeling a system's temporal behaviour in reaction to external stimuli is a fundamental problem in many areas. Pure Machine Learning (ML) approaches often fail in the small sample regime and cannot provide actionable insights beyond predictions. A promising modification has been to incorporate expert domain knowledge into ML models. The application we consider is predicting the patient health status and disease progression over time, where a wealth of domain knowledge is available from pharmacology. Pharmacological models describe the dynamics of carefully-chosen medically meaningful variables in terms of systems of Ordinary Differential Equations (ODEs). However, these models only describe a limited collection of variables, and these variables are often not observable in clinical environments. To close this gap, we propose the latent hybridisation model (LHM) that integrates a system of expert-designed ODEs with machine-learned Neural ODEs to fully describe the dynamics of the system and to link the expert and latent variables to observable quantities. We evaluated LHM on synthetic data as well as real-world intensive care data of COVID-19 patients. LHM consistently outperforms previous works, especially when few training samples are available such as at the beginning of the pandemic.

In this paper, we evaluate the quality of knowledge representations encoded in deep neural networks (DNNs) for 3D point cloud processing. We propose a method to disentangle the overall model vulnerability into the sensitivity to the rotation, the translation, the scale, and local 3D structures. Besides, we also propose metrics to evaluate the spatial smoothness of encoding 3D structures, and the representation complexity of the DNN. Based on such analysis, experiments expose representation problems with classic DNNs, and explain the utility of the adversarial training. The code will be released when this paper is accepted.

Tabular data synthesis has received wide attention in the literature. This is because available data is often limited, incomplete, or cannot be obtained easily, and data privacy is becoming increasingly important. In this work, we present a generalized GAN framework for tabular synthesis, which combines the adversarial training of GANs and the negative log-density regularization of invertible neural networks. The proposed framework can be used for two distinctive objectives. First, we can further improve the synthesis quality, by decreasing the negative log-density of real records in the process of adversarial training. On the other hand, by increasing the negative log-density of real records, realistic fake records can be synthesized in a way that they are not too much close to real records and reduce the chance of potential information leakage. We conduct experiments with real-world datasets for classification, regression, and privacy attacks. In general, the proposed method demonstrates the best synthesis quality (in terms of task-oriented evaluation metrics, e.g., F1) when decreasing the negative log-density during the adversarial training. If increasing the negative log-density, our experimental results show that the distance between real and fake records increases, enhancing robustness against privacy attacks.

In many sequential decision-making problems (e.g., robotics control, game playing, sequential prediction), human or expert data is available containing useful information about the task. However, imitation learning (IL) from a small amount of expert data can be challenging in high-dimensional environments with complex dynamics. Behavioral cloning is a simple method that is widely used due to its simplicity of implementation and stable convergence but doesn't utilize any information involving the environment’s dynamics. Many existing methods that exploit dynamics information are difficult to train in practice due to an adversarial optimization process over reward and policy approximators or biased, high variance gradient estimators. We introduce a method for dynamics-aware IL which avoids adversarial training by learning a single Q-function, implicitly representing both reward and policy. On standard benchmarks, the implicitly learned rewards show a high positive correlation with the ground-truth rewards, illustrating our method can also be used for inverse reinforcement learning (IRL). Our method, Inverse soft-Q learning (IQ-Learn) obtains state-of-the-art results in offline and online imitation learning settings, significantly outperforming existing methods both in the number of required environment interactions and scalability in high-dimensional spaces, often by more than 3x.

The response time of physical computational elements is finite, and neurons are no exception. In hierarchical models of cortical networks each layer thus introduces a response lag. This inherent property of physical dynamical systems results in delayed processing of stimuli and causes a timing mismatch between network output and instructive signals, thus afflicting not only inference, but also learning. We introduce Latent Equilibrium, a new framework for inference and learning in networks of slow components which avoids these issues by harnessing the ability of biological neurons to phase-advance their output with respect to their membrane potential. This principle enables quasi-instantaneous inference independent of network depth and avoids the need for phased plasticity or computationally expensive network relaxation phases. We jointly derive disentangled neuron and synapse dynamics from a prospective energy function that depends on a network's generalized position and momentum. The resulting model can be interpreted as a biologically plausible approximation of error backpropagation in deep cortical networks with continuous-time, leaky neuronal dynamics and continuously active, local plasticity. We demonstrate successful learning of standard benchmark datasets, achieving competitive performance using both fully-connected and convolutional architectures, and show how our principle can be applied to detailed models of cortical microcircuitry. Furthermore, …

Conventional supervised learning methods, especially deep ones, are found to be sensitive to out-of-distribution (OOD) examples, largely because the learned representation mixes the semantic factor with the variation factor due to their domain-specific correlation, while only the semantic factor causes the output. To address the problem, we propose a Causal Semantic Generative model (CSG) based on a causal reasoning so that the two factors are modeled separately, and develop methods for OOD prediction from a single training domain, which is common and challenging. The methods are based on the causal invariance principle, with a novel design in variational Bayes for both efficient learning and easy prediction. Theoretically, we prove that under certain conditions, CSG can identify the semantic factor by fitting training data, and this semantic-identification guarantees the boundedness of OOD generalization error and the success of adaptation. Empirical study shows improved OOD performance over prevailing baselines.

Recently, deep reinforcement learning (DRL) frameworks have shown potential for solving NP-hard routing problems such as the traveling salesman problem (TSP) without problem-specific expert knowledge. Although DRL can be used to solve complex problems, DRL frameworks still struggle to compete with state-of-the-art heuristics showing a substantial performance gap. This paper proposes a novel hierarchical problem-solving strategy, termed learning collaborative policies (LCP), which can effectively find the near-optimum solution using two iterative DRL policies: the seeder and reviser. The seeder generates as diversified candidate solutions as possible (seeds) while being dedicated to exploring over the full combinatorial action space (i.e., sequence of assignment action). To this end, we train the seeder's policy using a simple yet effective entropy regularization reward to encourage the seeder to find diverse solutions. On the other hand, the reviser modifies each candidate solution generated by the seeder; it partitions the full trajectory into sub-tours and simultaneously revises each sub-tour to minimize its traveling distance. Thus, the reviser is trained to improve the candidate solution's quality, focusing on the reduced solution space (which is beneficial for exploitation). Extensive experiments demonstrate that the proposed two-policies collaboration scheme improves over single-policy DRL framework on various NP-hard routing problems, including …

In this paper, we present Conjoint Attentions (CAs), a class of novel learning-to-attend strategies for graph neural networks (GNNs). Besides considering the layer-wise node features propagated within the GNN, CAs can additionally incorporate various structural interventions, such as node cluster embedding, and higher-order structural correlations that can be learned outside of GNN, when computing attention scores. The node features that are regarded as significant by the conjoint criteria are therefore more likely to be propagated in the GNN. Given the novel Conjoint Attention strategies, we then propose Graph conjoint attention networks (CATs) that can learn representations embedded with significant latent features deemed by the Conjoint Attentions. Besides, we theoretically validate the discriminative capacity of CATs. CATs utilizing the proposed Conjoint Attention strategies have been extensively tested in well-established benchmarking datasets and comprehensively compared with state-of-the-art baselines. The obtained notable performance demonstrates the effectiveness of the proposed Conjoint Attentions.

Recent advances in the video question answering (i.e., VideoQA) task have achieved strong success by following the paradigm of fine-tuning each clip-text pair independently on the pretrained transformer-based model via supervised learning. Intuitively, multiple samples (i.e., clips) should be interdependent to capture similar visual and key semantic information in the same video. To consider the interdependent knowledge between contextual clips into the network inference, we propose a Siamese Sampling and Reasoning (SiaSamRea) approach, which consists of a siamese sampling mechanism to generate sparse and similar clips (i.e., siamese clips) from the same video, and a novel reasoning strategy for integrating the interdependent knowledge between contextual clips into the network. The reasoning strategy contains two modules: (1) siamese knowledge generation to learn the inter-relationship among clips; (2) siamese knowledge reasoning to produce the refined soft label by propagating the weights of inter-relationship to the predicted candidates of all clips. Finally, our SiaSamRea can endow the current multimodal reasoning paradigm with the ability of learning from inside via the guidance of soft labels. Extensive experiments demonstrate our SiaSamRea achieves state-of-the-art performance on five VideoQA benchmarks, e.g., a significant +2.1% gain on MSRVTT-QA, +2.9% on MSVD-QA, +1.0% on ActivityNet-QA, +1.8% on How2QA and …

Theoretical analyses for graph learning methods often assume a complete observation of the input graph. Such an assumption might not be useful for handling any-size graphs due to the scalability issues in practice. In this work, we develop a theoretical framework for graph classification problems in the partial observation setting (i.e., subgraph samplings). Equipped with insights from graph limit theory, we propose a new graph classification model that works on a randomly sampled subgraph and a novel topology to characterize the representability of the model. Our theoretical framework contributes a theoretical validation of mini-batch learning on graphs and leads to new learning-theoretic results on generalization bounds as well as size-generalizability without assumptions on the input.

Haze, a common kind of bad weather caused by atmospheric scattering, decreases the visibility of scenes and degenerates the performance of computer vision algorithms. Single-image dehazing methods have shown their effectiveness in a large variety of scenes, however, they are based on handcrafted priors or learned features, which do not generalize well to real-world images. Polarization information can be used to relieve its ill-posedness, however, real-world images are still challenging since existing polarization-based methods usually assume that the transmitted light is not significantly polarized, and they require specific clues to estimate necessary physical parameters. In this paper, we propose a generalized physical formation model of hazy images and a robust polarization-based dehazing pipeline without the above assumption or requirement, along with a neural network tailored to the pipeline. Experimental results show that our approach achieves state-of-the-art performance on both synthetic data and real-world hazy images.

Existing deep learning real denoising methods require a large amount of noisy-clean image pairs for supervision. Nonetheless, capturing a real noisy-clean dataset is an unacceptable expensive and cumbersome procedure. To alleviate this problem, this work investigates how to generate realistic noisy images. Firstly, we formulate a simple yet reasonable noise model that treats each real noisy pixel as a random variable. This model splits the noisy image generation problem into two sub-problems: image domain alignment and noise domain alignment. Subsequently, we propose a novel framework, namely Pixel-level Noise-aware Generative Adversarial Network (PNGAN). PNGAN employs a pre-trained real denoiser to map the fake and real noisy images into a nearly noise-free solution space to perform image domain alignment. Simultaneously, PNGAN establishes a pixel-level adversarial training to conduct noise domain alignment. Additionally, for better noise fitting, we present an efficient architecture Simple Multi-scale Network (SMNet) as the generator. Qualitative validation shows that noise generated by PNGAN is highly similar to real noise in terms of intensity and distribution. Quantitative experiments demonstrate that a series of denoisers trained with the generated noisy images achieve state-of-the-art (SOTA) results on four real denoising benchmarks.

Recently, Transformer has become a prevailing deep architecture for solving vehicle routing problems (VRPs). However, it is less effective in learning improvement models for VRP because its positional encoding (PE) method is not suitable in representing VRP solutions. This paper presents a novel Dual-Aspect Collaborative Transformer (DACT) to learn embeddings for the node and positional features separately, instead of fusing them together as done in existing ones, so as to avoid potential noises and incompatible correlations. Moreover, the positional features are embedded through a novel cyclic positional encoding (CPE) method to allow Transformer to effectively capture the circularity and symmetry of VRP solutions (i.e., cyclic sequences). We train DACT using Proximal Policy Optimization and design a curriculum learning strategy for better sample efficiency. We apply DACT to solve the traveling salesman problem (TSP) and capacitated vehicle routing problem (CVRP). Results show that our DACT outperforms existing Transformer based improvement models, and exhibits much better generalization performance across different problem sizes on synthetic and benchmark instances, respectively.

In this paper, we present non-asymptotic optimization guarantees of gradient descent methods for estimating structured transition matrices in high-dimensional vector autoregressive (VAR) models. We adopt the projected gradient descent (PGD) for single-structured transition matrices and the alternating projected gradient descent (AltPGD) for superposition-structured ones. Our analysis demonstrates that both gradient algorithms converge linearly to the statistical error even though the strong convexity of the objective function is absent under the high-dimensional settings. Moreover our result is sharp (up to a constant factor) in the sense of matching the phase transition theory of the corresponding model with independent samples. To the best of our knowledge, this analysis constitutes first non-asymptotic optimization guarantees of the linear rate for regularized estimation in high-dimensional VAR models. Numerical results are provided to support our theoretical analysis.

Deep neural networks are susceptible to adversarially crafted, small, and imperceptible changes in the natural inputs. The most effective defense mechanism against these examples is adversarial training which constructs adversarial examples during training by iterative maximization of loss. The model is then trained to minimize the loss on these constructed examples. This min-max optimization requires more data, larger capacity models, and additional computing resources. It also degrades the standard generalization performance of a model. Can we achieve robustness more efficiently? In this work, we explore this question from the perspective of knowledge transfer. First, we theoretically show the transferability of robustness from an adversarially trained teacher model to a student model with the help of mixup augmentation. Second, we propose a novel robustness transfer method called Mixup-Based Activated Channel Maps (MixACM) Transfer. MixACM transfers robustness from a robust teacher to a student by matching activated channel maps generated without expensive adversarial perturbations. Finally, extensive experiments on multiple datasets and different learning scenarios show our method can transfer robustness while also improving generalization on natural images.

This work presents a data-driven approach for the indoor localization of an observer on a 2D topological map of the environment. State-of-the-art techniques may yield accurate estimates only when they are tailor-made for a specific data modality like camera-based system that prevents their applicability to broader domains. Here, we establish a modality-agnostic framework (called OT-Isomap) and formulate the localization problem in the context of parametric manifold learning while leveraging optimal transportation. This framework allows jointly learning a low-dimensional embedding as well as correspondences with a topological map. We examine the generalizability of the proposed algorithm by applying it to data from diverse modalities such as image sequences and radio frequency signals. The experimental results demonstrate decimeter-level accuracy for localization using different sensory inputs.

Vanilla autoencoders often produce manifolds that overfit to noisy training data, or have the wrong local connectivity and geometry. Autoencoder regularization techniques, e.g., the denoising autoencoder, have had some success in reducing overfitting, whereas recent graph-based methods that exploit local connectivity information provided by neighborhood graphs have had some success in mitigating local connectivity errors. Neither of these two approaches satisfactorily reduce both overfitting and connectivity errors; moreover, graph-based methods typically involve considerable preprocessing and tuning. To simultaneously address the two issues of overfitting and local connectivity, we propose a new graph-based autoencoder, the Neighborhood Reconstructing Autoencoder (NRAE). Unlike existing graph-based methods that attempt to encode the training data to some prescribed latent space distribution -- one consequence being that only the encoder is the object of the regularization -- NRAE merges local connectivity information contained in the neighborhood graphs with local quadratic approximations of the decoder function to formulate a new neighborhood reconstruction loss. Compared to existing graph-based methods, our new loss function is simple and easy to implement, and the resulting algorithm is scalable and computationally efficient; the only required preprocessing step is the construction of the neighborhood graph. Extensive experiments with standard datasets demonstrate that, compared to …

Learning neural radiance fields of a scene has recently allowed realistic novel view synthesis of the scene, but they are limited to synthesize images under the original fixed lighting condition. Therefore, they are not flexible for the eagerly desired tasks like relighting, scene editing and scene composition. To tackle this problem, several recent methods propose to disentangle reflectance and illumination from the radiance field. These methods can cope with solid objects with opaque surfaces but participating media are neglected. Also, they take into account only direct illumination or at most one-bounce indirect illumination, thus suffer from energy loss due to ignoring the high-order indirect illumination. We propose to learn neural representations for participating media with a complete simulation of global illumination. We estimate direct illumination via ray tracing and compute indirect illumination with spherical harmonics. Our approach avoids computing the lengthy indirect bounces and does not suffer from energy loss. Our experiments on multiple scenes show that our approach achieves superior visual quality and numerical performance compared to state-of-the-art methods, and it can generalize to deal with solid objects with opaque surfaces as well.

Most existing policy learning solutions require the learning agents to receive high-quality supervision signals, e.g., rewards in reinforcement learning (RL) or high-quality expert demonstrations in behavioral cloning (BC). These quality supervisions are either infeasible or prohibitively expensive to obtain in practice. We aim for a unified framework that leverages the available cheap weak supervisions to perform policy learning efficiently. To handle this problem, we treat the weak supervision'' as imperfect information coming from a peer agent, and evaluate the learning agent's policy based on a correlated agreement'' with the peer agent's policy (instead of simple agreements). Our approach explicitly punishes a policy for overfitting to the weak supervision. In addition to theoretical guarantees, extensive evaluations on tasks including RL with noisy reward, BC with weak demonstrations, and standard policy co-training (RL + BC) show that our method leads to substantial performance improvements, especially when the complexity or the noise of the learning environments is high.

Logical reasoning over Knowledge Graphs (KGs) is a fundamental technique that can provide an efficient querying mechanism over large and incomplete databases. Current approaches employ spatial geometries such as boxes to learn query representations that encompass the answer entities and model the logical operations of projection and intersection. However, their geometry is restrictive and leads to non-smooth strict boundaries, which further results in ambiguous answer entities. Furthermore, previous works propose transformation tricks to handle unions which results in non-closure and, thus, cannot be chained in a stream. In this paper, we propose a Probabilistic Entity Representation Model (PERM) to encode entities as a Multivariate Gaussian density with mean and covariance parameters to capture its semantic position and smooth decision boundary, respectively. Additionally, we also define the closed logical operations of projection, intersection, and union that can be aggregated using an end-to-end objective function. On the logical query reasoning problem, we demonstrate that the proposed PERM significantly outperforms the state-of-the-art methods on various public benchmark KG datasets on standard evaluation metrics. We also evaluate PERM’s competence on a COVID-19 drug-repurposing case study and show that our proposed work is able to recommend drugs with substantially better F1 than current methods. Finally, …

Pruning the weights of randomly initialized neural networks plays an important role in the context of lottery ticket hypothesis. Ramanujan et al. (2020) empirically showed that only pruning the weights can achieve remarkable performance instead of optimizing the weight values. However, to achieve the same level of performance as the weight optimization, the pruning approach requires more parameters in the networks before pruning and thus more memory space. To overcome this parameter inefficiency, we introduce a novel framework to prune randomly initialized neural networks with iteratively randomizing weight values (IteRand). Theoretically, we prove an approximation theorem in our framework, which indicates that the randomizing operations are provably effective to reduce the required number of the parameters. We also empirically demonstrate the parameter efficiency in multiple experiments on CIFAR-10 and ImageNet.

A critical aspect of human visual perception is the ability to parse visual scenes into individual objects and further into object parts, forming part-whole hierarchies. Such composite structures could induce a rich set of semantic concepts and relations, thus playing an important role in the interpretation and organization of visual signals as well as for the generalization of visual perception and reasoning. However, existing visual reasoning benchmarks mostly focus on objects rather than parts. Visual reasoning based on the full part-whole hierarchy is much more challenging than object-centric reasoning due to finer-grained concepts, richer geometry relations, and more complex physics. Therefore, to better serve for part-based conceptual, relational and physical reasoning, we introduce a new large-scale diagnostic visual reasoning dataset named PTR. PTR contains around 80k RGBD synthetic images with ground truth object and part level annotations regarding semantic instance segmentation, color attributes, spatial and geometric relationships, and certain physical properties such as stability. These images are paired with 800k machine-generated questions covering various types of reasoning types, making them a good testbed for visual reasoning models. We examine several state-of-the-art visual reasoning models on this dataset and observe that they still make many surprising mistakes in situations where humans …

We introduce regularized Frank-Wolfe, a general and effective algorithm for inference and learning of dense conditional random fields (CRFs). The algorithm optimizes a nonconvex continuous relaxation of the CRF inference problem using vanilla Frank-Wolfe with approximate updates, which are equivalent to minimizing a regularized energy function. Our proposed method is a generalization of existing algorithms such as mean field or concave-convex procedure. This perspective not only offers a unified analysis of these algorithms, but also allows an easy way of exploring different variants that potentially yield better performance. We illustrate this in our empirical results on standard semantic segmentation datasets, where several instantiations of our regularized Frank-Wolfe outperform mean field inference, both as a standalone component and as an end-to-end trainable layer in a neural network. We also show that dense CRFs, coupled with our new algorithms, produce significant improvements over strong CNN baselines.

Multilayer-perceptrons (MLP) are known to struggle learning functions of high-frequencies, and in particular, instances of wide frequency bands.We present a progressive mapping scheme for input signals of MLP networks, enabling them to better fit a wide range of frequencies without sacrificing training stability or requiring any domain specific preprocessing. We introduce Spatially Adaptive Progressive Encoding (SAPE) layers, which gradually unmask signal components with increasing frequencies as a function of time and space. The progressive exposure of frequencies is monitored by a feedback loop throughout the neural optimization process, allowing changes to propagate at different rates among local spatial portions of the signal space. We demonstrate the advantage of our method on variety of domains and applications: regression of low dimensional signals and images, representation learning of occupancy networks, and a geometric task of mesh transfer between 3D shapes.

Rule-based models, e.g., decision trees, are widely used in scenarios demanding high model interpretability for their transparent inner structures and good model expressivity. However, rule-based models are hard to optimize, especially on large data sets, due to their discrete parameters and structures. Ensemble methods and fuzzy/soft rules are commonly used to improve performance, but they sacrifice the model interpretability. To obtain both good scalability and interpretability, we propose a new classifier, named Rule-based Representation Learner (RRL), that automatically learns interpretable non-fuzzy rules for data representation and classification. To train the non-differentiable RRL effectively, we project it to a continuous space and propose a novel training method, called Gradient Grafting, that can directly optimize the discrete model using gradient descent. An improved design of logical activation functions is also devised to increase the scalability of RRL and enable it to discretize the continuous features end-to-end. Exhaustive experiments on nine small and four large data sets show that RRL outperforms the competitive interpretable approaches and can be easily adjusted to obtain a trade-off between classification accuracy and model complexity for different scenarios. Our code is available at: https://github.com/12wang3/rrl.

Self-Supervised Learning (SSL) has been shown to learn useful and information-preserving representations. Neural Networks (NNs) are widely applied, yet their weight space is still not fully understood. Therefore, we propose to use SSL to learn hyper-representations of the weights of populations of NNs. To that end, we introduce domain specific data augmentations and an adapted attention architecture. Our empirical evaluation demonstrates that self-supervised representation learning in this domain is able to recover diverse NN model characteristics. Further, we show that the proposed learned representations outperform prior work for predicting hyper-parameters, test accuracy, and generalization gap as well as transfer to out-of-distribution settings.

We address the novel task of jointly reconstructing the 3D shape, texture, and motion of an object from a single motion-blurred image. While previous approaches address the deblurring problem only in the 2D image domain, our proposed rigorous modeling of all object properties in the 3D domain enables the correct description of arbitrary object motion. This leads to significantly better image decomposition and sharper deblurring results. We model the observed appearance of a motion-blurred object as a combination of the background and a 3D object with constant translation and rotation. Our method minimizes a loss on reconstructing the input image via differentiable rendering with suitable regularizers. This enables estimating the textured 3D mesh of the blurred object with high fidelity. Our method substantially outperforms competing approaches on several benchmarks for fast moving objects deblurring. Qualitative results show that the reconstructed 3D mesh generates high-quality temporal super-resolution and novel views of the deblurred object.

Variational Autoencoders (VAEs) are powerful probabilistic models to learn representations of complex data distributions. One important limitation of VAEs is the strong prior assumption that latent representations learned by the model follow a simple uni-modal Gaussian distribution. Further, the variational training procedure poses considerable practical challenges. Recently proposed regularized autoencoders offer a deterministic autoencoding framework, that simplifies the original VAE objective and is significantly easier to train. Since these models only provide weak control over the learned latent distribution, they require an ex-post density estimation step to generate samples comparable to those of VAEs. In this paper, we propose a simple and end-to-end trainable deterministic autoencoding framework, that efficiently shapes the latent space of the model during training and utilizes the capacity of expressive multi-modal latent distributions. The proposed training procedure provides direct evidence if the latent distribution adequately captures complex aspects of the encoded data. We show in experiments the expressiveness and sample quality of our model in various challenging continuous and discrete domains. An implementation is available at https://github.com/boschresearch/GMM_DAE.

Deep learning (DL) systems are notoriously difficult to test and debug due to the lack of correctness proof and the huge test input space to cover. Given the ubiquitous unlabeled test data and high labeling cost, in this paper, we propose a novel test prioritization technique, namely TestRank, which aims at revealing more model failures with less labeling effort. TestRank brings order into the unlabeled test data according to their likelihood of being a failure, i.e., their failure-revealing capabilities. Different from existing solutions, TestRank leverages both intrinsic and contextual attributes of the unlabeled test data when prioritizing them. To be specific, we first build a similarity graph on both unlabeled test samples and labeled samples (e.g., training or previously labeled test samples). Then, we conduct graph-based semi-supervised learning to extract contextual features from the correctness of similar labeled samples. For a particular test instance, the contextual features extracted with the graph neural network and the intrinsic features obtained with the DL model itself are combined to predict its failure-revealing capability. Finally, TestRank prioritizes unlabeled test inputs in descending order of the above probability value. We evaluate TestRank on three popular image classification datasets, and results show that TestRank significantly outperforms …

Recently, AutoRegressive (AR) models for the whole image generation empowered by transformers have achieved comparable or even better performance compared to Generative Adversarial Networks (GANs). Unfortunately, directly applying such AR models to edit/change local image regions, may suffer from the problems of missing global information, slow inference speed, and information leakage of local guidance. To address these limitations, we propose a novel model -- image Local Autoregressive Transformer (iLAT), to better facilitate the locally guided image synthesis. Our iLAT learns the novel local discrete representations, by the newly proposed local autoregressive (LA) transformer of the attention mask and convolution mechanism. Thus iLAT can efficiently synthesize the local image regions by key guidance information. Our iLAT is evaluated on various locally guided image syntheses, such as pose-guided person image synthesis and face editing. Both quantitative and qualitative results show the efficacy of our model.

This paper provides a unified view to explain different adversarial attacks and defense methods, i.e. the view of multi-order interactions between input variables of DNNs. Based on the multi-order interaction, we discover that adversarial attacks mainly affect high-order interactions to fool the DNN. Furthermore, we find that the robustness of adversarially trained DNNs comes from category-specific low-order interactions. Our findings provide a potential method to unify adversarial perturbations and robustness, which can explain the existing robustness-boosting methods in a principle way. Besides, our findings also make a revision of previous inaccurate understanding of the shape bias of adversarially learned features. Our code is available online at https://github.com/Jie-Ren/A-Unified-Game-Theoretic-Interpretation-of-Adversarial-Robustness.

We study the problem of training certifiably robust models against adversarial examples. Certifiable training minimizes an upper bound on the worst-case loss over the allowed perturbation, and thus the tightness of the upper bound is an important factor in building certifiably robust models. However, many studies have shown that Interval Bound Propagation (IBP) training uses much looser bounds but outperforms other models that use tighter bounds. We identify another key factor that influences the performance of certifiable training: \textit{smoothness of the loss landscape}. We find significant differences in the loss landscapes across many linear relaxation-based methods, and that the current state-of-the-arts method often has a landscape with favorable optimization properties. Moreover, to test the claim, we design a new certifiable training method with the desired properties. With the tightness and the smoothness, the proposed method achieves a decent performance under a wide range of perturbations, while others with only one of the two factors can perform well only for a specific range of perturbations. Our code is available at \url{https://github.com/sungyoon-lee/LossLandscapeMatters}.

Deep Learning methods are known to suffer from calibration issues: they typically produce over-confident estimates. These problems are exacerbated in the low data regime. Although the calibration of probabilistic models is well studied, calibrating extremely over-parametrized models in the low-data regime presents unique challenges. We show that deep-ensembles do not necessarily lead to improved calibration properties. In fact, we show that standard ensembling methods, when used in conjunction with modern techniques such as mixup regularization, can lead to less calibrated models. This text examines the interplay between three of the most simple and commonly used approaches to leverage deep learning when data is scarce: data-augmentation, ensembling, and post-processing calibration methods. We demonstrate that, although standard ensembling techniques certainly help to boost accuracy, the calibration of deep ensembles relies on subtle trade-offs. We also find that calibration methods such as temperature scaling need to be slightly tweaked when used with deep-ensembles and, crucially, need to be executed after the averaging process. Our simulations indicate that, in the low data regime, this simple strategy can halve the Expected Calibration Error (ECE) on a range of benchmark classification problems when compared to standard deep-ensembles.

High-cardinality categorical features are a major challenge for machine learning methods in general and for deep learning in particular. Existing solutions such as one-hot encoding and entity embeddings can be hard to scale when the cardinality is very high, require much space, are hard to interpret or may overfit the data. A special scenario of interest is that of repeated measures, where the categorical feature is the identity of the individual or object, and each object is measured several times, possibly under different conditions (values of the other features). We propose accounting for high-cardinality categorical features as random effects variables in a regression setting, and consequently adopt the corresponding negative log likelihood loss from the linear mixed models (LMM) statistical literature and integrate it in a deep learning framework. We test our model which we call LMMNN on simulated as well as real datasets with a single categorical feature with high cardinality, using various baseline neural networks architectures such as convolutional networks and LSTM, and various applications in e-commerce, healthcare and computer vision. Our results show that treating high-cardinality categorical features as random effects leads to a significant improvement in prediction performance compared to state of the art alternatives. Potential …

Value function factorization (VFF) is a popular approach to cooperative multi-agent reinforcement learning in order to learn local value functions from global rewards. However, state-of-the-art VFF is limited to a handful of agents in most domains. We hypothesize that this is due to the flat factorization scheme, where the VFF operator becomes a performance bottleneck with an increasing number of agents. Therefore, we propose VFF with variable agent sub-teams (VAST). VAST approximates a factorization for sub-teams which can be defined in an arbitrary way and vary over time, e.g., to adapt to different situations. The sub-team values are then linearly decomposed for all sub-team members. Thus, VAST can learn on a more focused and compact input representation of the original VFF operator. We evaluate VAST in three multi-agent domains and show that VAST can significantly outperform state-of-the-art VFF, when the number of agents is sufficiently large.

We propose the use of the vector-valued distance to compute distances and extract geometric information from the manifold of symmetric positive definite matrices (SPD), and develop gyrovector calculus, constructing analogs of vector space operations in this curved space. We implement these operations and showcase their versatility in the tasks of knowledge graph completion, item recommendation, and question answering. In experiments, the SPD models outperform their equivalents in Euclidean and hyperbolic space. The vector-valued distance allows us to visualize embeddings, showing that the models learn to disentangle representations of positive samples from negative ones.

We propose a novel end-to-end solution for video instance segmentation (VIS) based on transformers. Recently, the per-clip pipeline shows superior performance over per-frame methods leveraging richer information from multiple frames. However, previous per-clip models require heavy computation and memory usage to achieve frame-to-frame communications, limiting practicality.In this work, we propose Inter-frame Communication Transformers (IFC), which significantly reduces the overhead for information-passing between frames by efficiently encoding the context within the input clip.Specifically, we propose to utilize concise memory tokens as a means of conveying information as well as summarizing each frame scene.The features of each frame are enriched and correlated with other frames through exchange of information between the precisely encoded memory tokens.We validate our method on the latest benchmark sets and achieved state-of-the-art performance (AP 42.6 on YouTube-VIS 2019 val set using the offline inference) while having a considerably fast runtime (89.4 FPS). Our method can also be applied to near-online inference for processing a video in real-time with only a small delay.The code is available at https://github.com/sukjunhwang/IFC

We study a fundamental problem in structure-based drug design --- generating molecules that bind to specific protein binding sites. While we have witnessed the great success of deep generative models in drug design, the existing methods are mostly string-based or graph-based. They are limited by the lack of spatial information and thus unable to be applied to structure-based design tasks. Particularly, such models have no or little knowledge of how molecules interact with their target proteins exactly in 3D space. In this paper, we propose a 3D generative model that generates molecules given a designated 3D protein binding site. Specifically, given a binding site as the 3D context, our model estimates the probability density of atom's occurrences in 3D space --- positions that are more likely to have atoms will be assigned higher probability. To generate 3D molecules, we propose an auto-regressive sampling scheme --- atoms are sampled sequentially from the learned distribution until there is no room for new atoms. Combined with this sampling scheme, our model can generate valid and diverse molecules, which could be applicable to various structure-based molecular design tasks such as molecule sampling and linker design. Experimental results demonstrate that molecules sampled from our model …

Existing semi-supervised learning (SSL) algorithms typically assume class-balanced datasets, although the class distributions of many real world datasets are imbalanced. In general, classifiers trained on a class-imbalanced dataset are biased toward the majority classes. This issue becomes more problematic for SSL algorithms because they utilize the biased prediction of unlabeled data for training. However, traditional class-imbalanced learning techniques, which are designed for labeled data, cannot be readily combined with SSL algorithms. We propose a scalable class-imbalanced SSL algorithm that can effectively use unlabeled data, while mitigating class imbalance by introducing an auxiliary balanced classifier (ABC) of a single layer, which is attached to a representation layer of an existing SSL algorithm. The ABC is trained with a class-balanced loss of a minibatch, while using high-quality representations learned from all data points in the minibatch using the backbone SSL algorithm to avoid overfitting and information loss. Moreover, we use consistency regularization, a recent SSL technique for utilizing unlabeled data in a modified way, to train the ABC to be balanced among the classes by selecting unlabeled data with the same probability for each class. The proposed algorithm achieves state-of-the-art performance in various class-imbalanced SSL experiments using four benchmark datasets.

We propose a new family of adaptive first-order methods for a class of convex minimization problems that may fail to be Lipschitz continuous or smooth in the standard sense. Specifically, motivated by a recent flurry of activity on non-Lipschitz (NoLips) optimization, we consider problems that are continuous or smooth relative to a reference Bregman function – as opposed to a global, ambient norm (Euclidean or otherwise). These conditions encompass a wide range ofproblems with singular objective, such as Fisher markets, Poisson tomography, D-design, and the like. In this setting, the application of existing order-optimal adaptive methods – like UnixGrad or AcceleGrad – is not possible, especially in the presence of randomness and uncertainty. The proposed method, adaptive mirror descent (AdaMir), aims to close this gap by concurrently achieving min-max optimal rates in problems that are relatively continuous or smooth, including stochastic ones.

We consider the phenomenon of adversarial examples in ReLU networks with independent Gaussian parameters. For networks of constant depth and with a large range of widths (for instance, it suffices if the width of each layer is polynomial in that of any other layer), small perturbations of input vectors lead to large changes of outputs. This generalizes results of Daniely and Schacham (2020) for networks of rapidly decreasing width and of Bubeck et al (2021) for two-layer networks. Our proof shows that adversarial examples arise in these networks because the functions they compute are \emph{locally} very similar to random linear functions. Bottleneck layers play a key role: the minimal width up to some point in the network determines scales and sensitivities of mappings computed up to that point. The main result is for networks with constant depth, but we also show that some constraint on depth is necessary for a result of this kind, because there are suitably deep networks that, with constant probability, compute a function that is close to constant.

Domain generalization (DG) aims to transfer the learning task from a single or multiple source domains to unseen target domains. To extract and leverage the information which exhibits sufficient generalization ability, we propose a simple yet effective approach of Adversarial Teacher-Student Representation Learning, with the goal of deriving the domain generalizable representations via generating and exploring out-of-source data distributions. Our proposed framework advances Teacher-Student learning in an adversarial learning manner, which alternates between knowledge-distillation based representation learning and novel-domain data augmentation. The former progressively updates the teacher network for deriving domain-generalizable representations, while the latter synthesizes data out-of-source yet plausible distributions. Extensive image classification experiments on benchmark datasets in multiple and single source DG settings confirm that, our model exhibits sufficient generalization ability and performs favorably against state-of-the-art DG methods.

Continual learning aims to learn a sequence of tasks from dynamic data distributions. Without accessing to the old training samples, knowledge transfer from the old tasks to each new task is difficult to determine, which might be either positive or negative. If the old knowledge interferes with the learning of a new task, i.e., the forward knowledge transfer is negative, then precisely remembering the old tasks will further aggravate the interference, thus decreasing the performance of continual learning. By contrast, biological neural networks can actively forget the old knowledge that conflicts with the learning of a new experience, through regulating the learning-triggered synaptic expansion and synaptic convergence. Inspired by the biological active forgetting, we propose to actively forget the old knowledge that limits the learning of new tasks to benefit continual learning. Under the framework of Bayesian continual learning, we develop a novel approach named Active Forgetting with synaptic Expansion-Convergence (AFEC). Our method dynamically expands parameters to learn each new task and then selectively combines them, which is formally consistent with the underlying mechanism of biological active forgetting. We extensively evaluate AFEC on a variety of continual learning benchmarks, including CIFAR-10 regression tasks, visual classification tasks and Atari reinforcement tasks, …

The Dynamic Pickup and Delivery Problem (DPDP) is an essential problem in the logistics domain, which is NP-hard. The objective is to dynamically schedule vehicles among multiple sites to serve the online generated orders such that the overall transportation cost could be minimized. The critical challenge of DPDP is the orders are not known a priori, i.e., the orders are dynamically generated in real-time. To address this problem, existing methods partition the overall DPDP into fixed-size sub-problems by caching online generated orders and solve each sub-problem, or on this basis to utilize the predicted future orders to optimize each sub-problem further. However, the solution quality and efficiency of these methods are unsatisfactory, especially when the problem scale is very large. In this paper, we propose a novel hierarchical optimization framework to better solve large-scale DPDPs. Specifically, we design an upper-level agent to dynamically partition the DPDP into a series of sub-problems with different scales to optimize vehicles routes towards globally better solutions. Besides, a lower-level agent is designed to efficiently solve each sub-problem by incorporating the strengths of classical operational research-based methods with reinforcement learning-based policies. To verify the effectiveness of the proposed framework, real historical data is collected from …

We observe that despite their hierarchical convolutional nature, the synthesis process of typical generative adversarial networks depends on absolute pixel coordinates in an unhealthy manner. This manifests itself as, e.g., detail appearing to be glued to image coordinates instead of the surfaces of depicted objects. We trace the root cause to careless signal processing that causes aliasing in the generator network. Interpreting all signals in the network as continuous, we derive generally applicable, small architectural changes that guarantee that unwanted information cannot leak into the hierarchical synthesis process. The resulting networks match the FID of StyleGAN2 but differ dramatically in their internal representations, and they are fully equivariant to translation and rotation even at subpixel scales. Our results pave the way for generative models better suited for video and animation.

The neural attention mechanism has been incorporated into deep neural networks to achieve state-of-the-art performance in various domains. Most such models use multi-head self-attention which is appealing for the ability to attend to information from different perspectives. This paper introduces alignment attention that explicitly encourages self-attention to match the distributions of the key and query within each head. The resulting alignment attention networks can be optimized as an unsupervised regularization in the existing attention framework. It is simple to convert any models with self-attention, including pre-trained ones, to the proposed alignment attention. On a variety of language understanding tasks, we show the effectiveness of our method in accuracy, uncertainty estimation, generalization across domains, and robustness to adversarial attacks. We further demonstrate the general applicability of our approach on graph attention and visual question answering, showing the great potential of incorporating our alignment method into various attention-related tasks.

Current transfer learning algorithm designs mainly focus on the similarities between source and target tasks, while the impacts of the sample sizes of these tasks are often not sufficiently addressed. This paper proposes a mathematical framework for quantifying the transferability in multi-source transfer learning problems, with both the task similarities and the sample complexity of learning models taken into account. In particular, we consider the setup where the models learned from different tasks are linearly combined for learning the target task, and use the optimal combining coefficients to measure the transferability. Then, we demonstrate the analytical expression of this transferability measure, characterized by the sample sizes, model complexity, and the similarities between source and target tasks, which provides fundamental insights of the knowledge transferring mechanism and the guidance for algorithm designs. Furthermore, we apply our analyses for practical learning tasks, and establish a quantifiable transferability measure by exploiting a parameterized model. In addition, we develop an alternating iterative algorithm to implement our theoretical results for training deep neural networks in multi-source transfer learning tasks. Finally, experiments on image classification tasks show that our approach outperforms existing transfer learning algorithms in multi-source and few-shot scenarios.

Inspired by biological evolution, we explain the rationality of Vision Transformer by analogy with the proven practical Evolutionary Algorithm (EA) and derive that both of them have consistent mathematical representation. Analogous to the dynamic local population in EA, we improve the existing transformer structure and propose a more efficient EAT model, and design task-related heads to deal with different tasks more flexibly. Moreover, we introduce the spatial-filling curve into the current vision transformer to sequence image data into a uniform sequential format. Thus we can design a unified EAT framework to address multi-modal tasks, separating the network architecture from the data format adaptation. Our approach achieves state-of-the-art results on the ImageNet classification task compared with recent vision transformer works while having smaller parameters and greater throughput. We further conduct multi-modal tasks to demonstrate the superiority of the unified EAT, \eg, Text-Based Image Retrieval, and our approach improves the rank-1 by +3.7 points over the baseline on the CSS dataset.

We propose the first general PAC-Bayesian generalization bounds for adversarial robustness, that estimate, at test time, how much a model will be invariant to imperceptible perturbations in the input. Instead of deriving a worst-case analysis of the risk of a hypothesis over all the possible perturbations, we leverage the PAC-Bayesian framework to bound the averaged risk on the perturbations for majority votes (over the whole class of hypotheses). Our theoretically founded analysis has the advantage to provide general bounds (i) that are valid for any kind of attacks (i.e., the adversarial attacks), (ii) that are tight thanks to the PAC-Bayesian framework, (iii) that can be directly minimized during the learning phase to obtain a robust model on different attacks at test time.

Deep neural networks (DNNs) in the infinite width/channel limit have received much attention recently, as they provide a clear analytical window to deep learning via mappings to Gaussian Processes (GPs). Despite its theoretical appeal, this viewpoint lacks a crucial ingredient of deep learning in finite DNNs, laying at the heart of their success --- \textit{feature learning}. Here we consider DNNs trained with noisy gradient descent on a large training set and derive a self-consistent Gaussian Process theory accounting for \textit{strong} finite-DNN and feature learning effects. Applying this to a toy model of a two-layer linear convolutional neural network (CNN) shows good agreement with experiments. We further identify, both analytically and numerically, a sharp transition between a feature learning regime and a lazy learning regime in this model. Strong finite-DNN effects are also derived for a non-linear two-layer fully connected network. We have numerical evidence demonstrating that the assumptions required for our theory hold true in more realistic settings (Myrtle5 CNN trained on CIFAR-10).Our self-consistent theory provides a rich and versatile analytical framework for studying strong finite-DNN effects, most notably - feature learning.

Daniely and Schacham recently showed that gradient descent finds adversarial examples on random undercomplete two-layers ReLU neural networks. The term “undercomplete” refers to the fact that their proof only holds when the number of neurons is a vanishing fraction of the ambient dimension. We extend their result to the overcomplete case, where the number of neurons is larger than the dimension (yet also subexponential in the dimension). In fact we prove that a single step of gradient descent suffices. We also show this result for any subexponential width random neural network with smooth activation function.

Hyperspectral imaging offers new perspectives for diverse applications, ranging from the monitoring of the environment using airborne or satellite remote sensing, precision farming, food safety, planetary exploration, or astrophysics. Unfortunately, the spectral diversity of information comes at the expense of various sources of degradation, and the lack of accurate ground-truth "clean" hyperspectral signals acquired on the spot makes restoration tasks challenging. In particular, training deep neural networks for restoration is difficult, in contrast to traditional RGB imaging problems where deep models tend to shine. In this paper, we advocate instead for a hybrid approach based on sparse coding principles that retain the interpretability of classical techniques encoding domain knowledge with handcrafted image priors, while allowing to train model parameters end-to-end without massive amounts of data. We show on various denoising benchmarks that our method is computationally efficient and significantly outperforms the state of the art.

Recently, Graph Neural Networks (GNNs) have gained popularity in a variety of real-world scenarios. Despite the great success, the architecture design of GNNs heavily relies on manual labor. Thus, automated graph neural network (AutoGNN) has attracted interest and attention from the research community, which makes significant performance improvements in recent years. However, existing AutoGNN works mainly adopt an implicit way to model and leverage the link information in the graphs, which is not well regularized to the link prediction task on graphs, and limits the performance of AutoGNN for other graph tasks. In this paper, we present a novel AutoGNN work that explicitly models the link information, abbreviated to AutoGEL. In such a way, AutoGEL can handle the link prediction task and improve the performance of AutoGNNs on the node classification and graph classification task. Moreover, AutoGEL proposes a novel search space containing various design dimensions at both intra-layer and inter-layer designs and adopts a more robust differentiable search algorithm to further improve efficiency and effectiveness. Experimental results on benchmark data sets demonstrate the superiority of AutoGEL on several tasks.

Chamfer Distance (CD) and Earth Mover’s Distance (EMD) are two broadly adopted metrics for measuring the similarity between two point sets. However, CD is usually insensitive to mismatched local density, and EMD is usually dominated by global distribution while overlooks the fidelity of detailed structures. Besides, their unbounded value range induces a heavy influence from the outliers. These defects prevent them from providing a consistent evaluation. To tackle these problems, we propose a new similarity measure named Density-aware Chamfer Distance (DCD). It is derived from CD and benefits from several desirable properties: 1) it can detect disparity of density distributions and is thus a more intensive measure of similarity compared to CD; 2) it is stricter with detailed structures and significantly more computationally efficient than EMD; 3) the bounded value range encourages a more stable and reasonable evaluation over the whole test set. We adopt DCD to evaluate the point cloud completion task, where experimental results show that DCD pays attention to both the overall structure and local geometric details and provides a more reliable evaluation even when CD and EMD contradict each other. We can also use DCD as the training loss, which outperforms the same model trained with …

Nonparametric regression on complex domains has been a challenging task as most existing methods, such as ensemble models based on binary decision trees, are not designed to account for intrinsic geometries and domain boundaries. This article proposes a Bayesian additive regression spanning trees (BAST) model for nonparametric regression on manifolds, with an emphasis on complex constrained domains or irregularly shaped spaces embedded in Euclidean spaces. Our model is built upon a random spanning tree manifold partition model as each weak learner, which is capable of capturing any irregularly shaped spatially contiguous partitions while respecting intrinsic geometries and domain boundary constraints. Utilizing many nice properties of spanning tree structures, we design an efficient Bayesian inference algorithm. Equipped with a soft prediction scheme, BAST is demonstrated to significantly outperform other competing methods in simulation experiments and in an application to the chlorophyll data in Aral Sea, due to its strong local adaptivity to different levels of smoothness.

This paper underlines an elegant property of batch-normalization (BN): Successive batch normalizations with random linear updates make samples increasingly orthogonal. We establish a non-asymptotic characterization of the interplay between depth, width, and the orthogonality of deep representations. More precisely, we prove, under a mild assumption, the deviation of the representations from orthogonality rapidly decays with depth up to a term inversely proportional to the network width. This result has two main theoretical and practical implications: 1) Theoretically, as the depth grows, the distribution of the outputs contracts to a Wasserstein-2 ball around an isotropic normal distribution. Furthermore, the radius of this Wasserstein ball shrinks with the width of the network. 2) Practically, the orthogonality of the representations directly influences the performance of stochastic gradient descent (SGD). When representations are initially aligned, we observe SGD wastes many iterations to disentangle representations before the classification. Nevertheless, we experimentally show that starting optimization from orthogonal representations is sufficient to accelerate SGD, with no need for BN.

Generative Adversarial Networks (GANs) have made a dramatic leap in high-fidelity image synthesis and stylized face generation. Recently, a layer-swapping mechanism has been developed to improve the stylization performance. However, this method is incapable of fitting arbitrary styles in a single model and requires hundreds of style-consistent training images for each style. To address the above issues, we propose BlendGAN for arbitrary stylized face generation by leveraging a flexible blending strategy and a generic artistic dataset. Specifically, we first train a self-supervised style encoder on the generic artistic dataset to extract the representations of arbitrary styles. In addition, a weighted blending module (WBM) is proposed to blend face and style representations implicitly and control the arbitrary stylization effect. By doing so, BlendGAN can gracefully fit arbitrary styles in a unified model while avoiding case-by-case preparation of style-consistent training images. To this end, we also present a novel large-scale artistic face dataset AAHQ. Extensive experiments demonstrate that BlendGAN outperforms state-of-the-art methods in terms of visual quality and style diversity for both latent-guided and reference-guided stylized face synthesis.

Variational autoencoder (VAE) is a deep generative model for unsupervised learning, allowing to encode observations into the meaningful latent space. VAE is prone to catastrophic forgetting when tasks arrive sequentially, and only the data for the current one is available. We address this problem of continual learning for VAEs. It is known that the choice of the prior distribution over the latent space is crucial for VAE in the non-continual setting. We argue that it can also be helpful to avoid catastrophic forgetting. We learn the approximation of the aggregated posterior as a prior for each task. This approximation is parametrised as an additive mixture of distributions induced by an encoder evaluated at trainable pseudo-inputs. We use a greedy boosting-like approach with entropy regularisation to learn the components. This method encourages components diversity, which is essential as we aim at memorising the current task with the fewest components possible. Based on the learnable prior, we introduce an end-to-end approach for continual learning of VAEs and provide empirical studies on commonly used benchmarks (MNIST, Fashion MNIST, NotMNIST) and CelebA datasets. For each dataset, the proposed method avoids catastrophic forgetting in a fully automatic way.

There are two types of deep generative models: explicit and implicit. The former defines an explicit density form that allows likelihood inference; while the latter targets a flexible transformation from random noise to generated samples. While the two classes of generative models have shown great power in many applications, both of them, when used alone, suffer from respective limitations and drawbacks. To take full advantages of both models and enable mutual compensation, we propose a novel joint training framework that bridges an explicit (unnormalized) density estimator and an implicit sample generator via Stein discrepancy. We show that our method 1) induces novel mutual regularization via kernel Sobolev norm penalization and Moreau-Yosida regularization, and 2) stabilizes the training dynamics. Empirically, we demonstrate that proposed method can facilitate the density estimator to more accurately identify data modes and guide the generator to output higher-quality samples, comparing with training a single counterpart. The new approach also shows promising results when the training samples are contaminated or limited.

We consider the task of representation learning for unsupervised segmentation of 3D voxel-grid biomedical images. We show that models that capture implicit hierarchical relationships between subvolumes are better suited for this task. To that end, we consider encoder-decoder architectures with a hyperbolic latent space, to explicitly capture hierarchical relationships present in subvolumes of the data. We propose utilizing a 3D hyperbolic variational autoencoder with a novel gyroplane convolutional layer to map from the embedding space back to 3D images. To capture these relationships, we introduce an essential self-supervised loss---in addition to the standard VAE loss---which infers approximate hierarchies and encourages implicitly related subvolumes to be mapped closer in the embedding space. We present experiments on synthetic datasets along with a dataset from the medical domain to validate our hypothesis.

Recently, deep multi-agent reinforcement learning (MARL) has shown the promise to solve complex cooperative tasks. Its success is partly because of parameter sharing among agents. However, such sharing may lead agents to behave similarly and limit their coordination capacity. In this paper, we aim to introduce diversity in both optimization and representation of shared multi-agent reinforcement learning. Specifically, we propose an information-theoretical regularization to maximize the mutual information between agents' identities and their trajectories, encouraging extensive exploration and diverse individualized behaviors. In representation, we incorporate agent-specific modules in the shared neural network architecture, which are regularized by L1-norm to promote learning sharing among agents while keeping necessary diversity. Empirical results show that our method achieves state-of-the-art performance on Google Research Football and super hard StarCraft II micromanagement tasks.

Scene text detection remains a grand challenge due to the variation in text curvatures, orientations, and aspect ratios. One of the hardest problems in this task is how to represent text instances of arbitrary shapes. Although many methods have been proposed to model irregular texts in a flexible manner, most of them lose simplicity and robustness. Their complicated post-processings and the regression under Dirac delta distribution undermine the detection performance and the generalization ability. In this paper, we propose an efficient text instance representation named CentripetalText (CT), which decomposes text instances into the combination of text kernels and centripetal shifts. Specifically, we utilize the centripetal shifts to implement pixel aggregation, guiding the external text pixels to the internal text kernels. The relaxation operation is integrated into the dense regression for centripetal shifts, allowing the correct prediction in a range instead of a specific value. The convenient reconstruction of text contours and the tolerance of prediction errors in our method guarantee the high detection accuracy and the fast inference speed, respectively. Besides, we shrink our text detector into a proposal generation module, namely CentripetalText Proposal Network (CPN), replacing Segmentation Proposal Network (SPN) in Mask TextSpotter v3 and producing more accurate proposals. …

We study the problem of extracting correspondences between a pair of point clouds for registration. For correspondence retrieval, existing works benefit from matching sparse keypoints detected from dense points but usually struggle to guarantee their repeatability. To address this issue, we present CoFiNet - Coarse-to-Fine Network which extracts hierarchical correspondences from coarse to fine without keypoint detection. On a coarse scale and guided by a weighting scheme, our model firstly learns to match down-sampled nodes whose vicinity points share more overlap, which significantly shrinks the search space of a consecutive stage. On a finer scale, node proposals are consecutively expanded to patches that consist of groups of points together with associated descriptors. Point correspondences are then refined from the overlap areas of corresponding patches, by a density-adaptive matching module capable to deal with varying point density. Extensive evaluation of CoFiNet on both indoor and outdoor standard benchmarks shows our superiority over existing methods. Especially on 3DLoMatch where point clouds share less overlap, CoFiNet significantly outperforms state-of-the-art approaches by at least 5% on Registration Recall, with at most two-third of their parameters.

Semi-supervised learning aims to leverage a large amount of unlabeled data for performance boosting. Existing works primarily focus on image classification. In this paper, we delve into semi-supervised learning for object detection, where labeled data are more labor-intensive to collect. Current methods are easily distracted by noisy regions generated by pseudo labels. To combat the noisy labeling, we propose noise-resistant semi-supervised learning by quantifying the region uncertainty. We first investigate the adverse effects brought by different forms of noise associated with pseudo labels. Then we propose to quantify the uncertainty of regions by identifying the noise-resistant properties of regions over different strengths. By importing the region uncertainty quantification and promoting multi-peak probability distribution output, we introduce uncertainty into training and further achieve noise-resistant learning. Experiments on both PASCAL VOC and MS COCO demonstrate the extraordinary performance of our method.

In content-based image retrieval, the first-round retrieval result by simple visual feature comparison may be unsatisfactory, which can be refined by visual re-ranking techniques. In image retrieval, it is observed that the contextual similarity among the top-ranked images is an important clue to distinguish the semantic relevance. Inspired by this observation, in this paper, we propose a visual re-ranking method by contextual similarity aggregation with self-attention. In our approach, for each image in the top-K ranking list, we represent it into an affinity feature vector by comparing it with a set of anchor images. Then, the affinity features of the top-K images are refined by aggregating the contextual information with a transformer encoder. Finally, the affinity features are used to recalculate the similarity scores between the query and the top-K images for re-ranking of the latter. To further improve the robustness of our re-ranking model and enhance the performance of our method, a new data augmentation scheme is designed. Since our re-ranking model is not directly involved with the visual feature used in the initial retrieval, it is ready to be applied to retrieval result lists obtained from various retrieval algorithms. We conduct comprehensive experiments on four benchmark datasets to …

Continual learning (CL) --- the ability to continuously learn, building on previously acquired knowledge --- is a natural requirement for long-lived autonomous reinforcement learning (RL) agents. While building such agents, one needs to balance opposing desiderata, such as constraints on capacity and compute, the ability to not catastrophically forget, and to exhibit positive transfer on new tasks. Understanding the right trade-off is conceptually and computationally challenging, which we argue has led the community to overly focus on catastrophic forgetting. In response to these issues, we advocate for the need to prioritize forward transfer and propose Continual World, a benchmark consisting of realistic and meaningfully diverse robotic tasks built on top of Meta-World as a testbed. Following an in-depth empirical evaluation of existing CL methods, we pinpoint their limitations and highlight unique algorithmic challenges in the RL setting. Our benchmark aims to provide a meaningful and computationally inexpensive challenge for the community and thus help better understand the performance of existing and future solutions. Information about the benchmark, including the open-source code, is available at https://sites.google.com/view/continualworld.

We introduce the ``continuized'' Nesterov acceleration, a close variant of Nesterov acceleration whose variables are indexed by a continuous time parameter. The two variables continuously mix following a linear ordinary differential equation and take gradient steps at random times. This continuized variant benefits from the best of the continuous and the discrete frameworks: as a continuous process, one can use differential calculus to analyze convergence and obtain analytical expressions for the parameters; but a discretization of the continuized process can be computed exactly with convergence rates similar to those of Nesterov original acceleration. We show that the discretization has the same structure as Nesterov acceleration, but with random parameters. We provide continuized Nesterov acceleration under deterministic as well as stochastic gradients, with either additive or multiplicative noise. Finally, using our continuized framework and expressing the gossip averaging problem as the stochastic minimization of a certain energy function, we provide the first rigorous acceleration of asynchronous gossip algorithms.

Graph Neural Networks (GNNs) have achieved remarkable performance in the task of semi-supervised node classification. However, most existing GNN models require sufficient labeled data for effective network training. Their performance can be seriously degraded when labels are extremely limited. To address this issue, we propose a new framework termed Contrastive Graph Poisson Networks (CGPN) for node classification under extremely limited labeled data. Specifically, our CGPN derives from variational inference; integrates a newly designed Graph Poisson Network (GPN) to effectively propagate the limited labels to the entire graph and a normal GNN, such as Graph Attention Network, that flexibly guides the propagation of GPN; applies a contrastive objective to further exploit the supervision information from the learning process of GPN and GNN models. Essentially, our CGPN can enhance the learning performance of GNNs under extremely limited labels by contrastively propagating the limited labels to the entire graph. We conducted extensive experiments on different types of datasets to demonstrate the superiority of CGPN.

Graph contrastive learning attracts/disperses node representations for similar/dissimilar node pairs under some notion of similarity. It may be combined with a low-dimensional embedding of nodes to preserve intrinsic and structural properties of a graph. In this paper, we extend the celebrated Laplacian Eigenmaps with contrastive learning, and call them COntrastive Laplacian EigenmapS (COLES). Starting from a GAN-inspired contrastive formulation, we show that the Jensen-Shannon divergence underlying many contrastive graph embedding models fails under disjoint positive and negative distributions, which may naturally emerge during sampling in the contrastive setting. In contrast, we demonstrate analytically that COLES essentially minimizes a surrogate of Wasserstein distance, which is known to cope well under disjoint distributions. Moreover, we show that the loss of COLES belongs to the family of so-called block-contrastive losses, previously shown to be superior compared to pair-wise losses typically used by contrastive methods. We show on popular benchmarks/backbones that COLES offers favourable accuracy/scalability compared to DeepWalk, GCN, Graph2Gauss, DGI and GRACE baselines.

We study the problem of off-policy evaluation from batched contextual bandit data with multidimensional actions, often termed slates. The problem is common to recommender systems and user-interface optimization, and it is particularly challenging because of the combinatorially-sized action space. Swaminathan et al. (2017) have proposed the pseudoinverse (PI) estimator under the assumption that the conditional mean rewards are additive in actions. Using control variates, we consider a large class of unbiased estimators that includes as specific cases the PI estimator and (asymptotically) its self-normalized variant. By optimizing over this class, we obtain new estimators with risk improvement guarantees over both the PI and the self-normalized PI estimators. Experiments with real-world recommender data as well as synthetic data validate these improvements in practice.

A decision tree is commonly restricted to use a single hyperplane to split the covariate space at each of its internal nodes. It often requires a large number of nodes to achieve high accuracy. In this paper, we propose convex polytope trees (CPT) to expand the family of decision trees by an interpretable generalization of their decision boundary. The splitting function at each node of CPT is based on the logical disjunction of a community of differently weighted probabilistic linear decision-makers, which also geometrically corresponds to a convex polytope in the covariate space. We use a nonparametric Bayesian prior at each node to infer the community's size, encouraging simpler decision boundaries by shrinking the number of polytope facets. We develop a greedy method to efficiently construct CPT and scalable end-to-end training algorithms for the tree parameters when the tree structure is given. We empirically demonstrate the efficiency of CPT over existing state-of-the-art decision trees in several real-world classification and regression tasks from diverse domains.

We present Coordinated Proximal Policy Optimization (CoPPO), an algorithm that extends the original Proximal Policy Optimization (PPO) to the multi-agent setting. The key idea lies in the coordinated adaptation of step size during the policy update process among multiple agents. We prove the monotonicity of policy improvement when optimizing a theoretically-grounded joint objective, and derive a simplified optimization objective based on a set of approximations. We then interpret that such an objective in CoPPO can achieve dynamic credit assignment among agents, thereby alleviating the high variance issue during the concurrent update of agent policies. Finally, we demonstrate that CoPPO outperforms several strong baselines and is competitive with the latest multi-agent PPO method (i.e. MAPPO) under typical multi-agent settings, including cooperative matrix games and the StarCraft II micromanagement tasks.

Self-training is an effective approach to semi-supervised learning. The key idea is to let the learner itself iteratively generate "pseudo-supervision" for unlabeled instances based on its current hypothesis. In combination with consistency regularization, pseudo-labeling has shown promising performance in various domains, for example in computer vision. To account for the hypothetical nature of the pseudo-labels, these are commonly provided in the form of probability distributions. Still, one may argue that even a probability distribution represents an excessive level of informedness, as it suggests that the learner precisely knows the ground-truth conditional probabilities. In our approach, we therefore allow the learner to label instances in the form of credal sets, that is, sets of (candidate) probability distributions. Thanks to this increased expressiveness, the learner is able to represent uncertainty and a lack of knowledge in a more flexible and more faithful manner. To learn from weakly labeled data of that kind, we leverage methods that have recently been proposed in the realm of so-called superset learning. In an exhaustive empirical evaluation, we compare our methodology to state-of-the-art self-supervision approaches, showing competitive to superior performance especially in low-label scenarios incorporating a high degree of uncertainty.

Visual question answering (VQA) is designed to examine the visual-textual reasoning ability of an intelligent agent. However, recent observations show that many VQA models may only capture the biases between questions and answers in a dataset rather than showing real reasoning abilities. For example, given a question, some VQA models tend to output the answer that occurs frequently in the dataset and ignore the images. To reduce this tendency, existing methods focus on weakening the language bias. Meanwhile, only a few works also consider vision bias implicitly. However, these methods introduce additional annotations or show unsatisfactory performance. Moreover, not all biases are harmful to the models. Some “biases” learnt from datasets represent natural rules of the world and can help limit the range of answers. Thus, how to filter and remove the true negative biases in language and vision modalities remain a major challenge. In this paper, we propose a method named D-VQA to alleviate the above challenges from the feature and sample perspectives. Specifically, from the feature perspective, we build a question-to-answer and vision-to-answer branch to capture the language and vision biases, respectively. Next, we apply two unimodal bias detection modules to explicitly recognise and remove the negative biases. …

Deep learning has exhibited superior performance for various tasks, especially for high-dimensional datasets, such as images. To understand this property, we investigate the approximation and estimation ability of deep learning on {\it anisotropic Besov spaces}.The anisotropic Besov space is characterized by direction-dependent smoothness and includes several function classes that have been investigated thus far.We demonstrate that the approximation error and estimation error of deep learning only depend on the average value of the smoothness parameters in all directions. Consequently, the curse of dimensionality can be avoided if the smoothness of the target function is highly anisotropic.Unlike existing studies, our analysis does not require a low-dimensional structure of the input data.We also investigate the minimax optimality of deep learning and compare its performance with that of the kernel method (more generally, linear estimators).The results show that deep learning has better dependence on the input dimensionality if the target function possesses anisotropic smoothness, and it achieves an adaptive rate for functions with spatially inhomogeneous smoothness.

Molecular representation learning is the first yet vital step in combining deep learning and molecular science. To push the boundaries of molecular representation learning, we present PhysChem, a novel neural architecture that learns molecular representations via fusing physical and chemical information of molecules. PhysChem is composed of a physicist network (PhysNet) and a chemist network (ChemNet). PhysNet is a neural physical engine that learns molecular conformations through simulating molecular dynamics with parameterized forces; ChemNet implements geometry-aware deep message-passing to learn chemical / biomedical properties of molecules. Two networks specialize in their own tasks and cooperate by providing expertise to each other. By fusing physical and chemical information, PhysChem achieved state-of-the-art performances on MoleculeNet, a standard molecular machine learning benchmark. The effectiveness of PhysChem was further corroborated on cutting-edge datasets of SARS-CoV-2.

Sparse tensors appear frequently in federated deep learning, either as a direct artifact of the deep neural network’s gradients, or as a result of an explicit sparsification process. Existing communication primitives are agnostic to the peculiarities of deep learning; consequently, they impose unnecessary communication overhead. This paper introduces DeepReduce, a versatile framework for the compressed communication of sparse tensors, tailored to federated deep learning. DeepReduce decomposes sparse tensors into two sets, values and indices, and allows both independent and combined compression of these sets. We support a variety of common compressors, such as Deflate for values, or run-length encoding for indices. We also propose two novel compression schemes that achieve superior results: curve fitting-based for values, and bloom filter-based for indices. DeepReduce is orthogonal to existing gradient sparsifiers and can be applied in conjunction with them, transparently to the end-user, to significantly lower the communication overhead. As proof of concept, we implement our approach on TensorFlow and PyTorch. Our experiments with large real models demonstrate that DeepReduce transmits 320% less data than existing sparsifiers, without affecting accuracy. Code is available at https://github.com/hangxu0304/DeepReduce.

We address Stackelberg models of combinatorial congestion games (CCGs); we aim to optimize the parameters of CCGs so that the selfish behavior of non-atomic players attains desirable equilibria. This model is essential for designing such social infrastructures as traffic and communication networks. Nevertheless, computational approaches to the model have not been thoroughly studied due to two difficulties: (I) bilevel-programming structures and (II) the combinatorial nature of CCGs. We tackle them by carefully combining (I) the idea of \textit{differentiable} optimization and (II) data structures called \textit{zero-suppressed binary decision diagrams} (ZDDs), which can compactly represent sets of combinatorial strategies. Our algorithm numerically approximates the equilibria of CCGs, which we can differentiate with respect to parameters of CCGs by automatic differentiation. With the resulting derivatives, we can apply gradient-based methods to Stackelberg models of CCGs. Our method is tailored to induce Nesterov's acceleration and can fully utilize the empirical compactness of ZDDs. These technical advantages enable us to deal with CCGs with a vast number of combinatorial strategies. Experiments on real-world network design instances demonstrate the practicality of our method.

Graph Neural Networks are perfectly suited to capture latent interactions between various entities in the spatio-temporal domain (e.g. videos). However, when an explicit structure is not available, it is not obvious what atomic elements should be represented as nodes. Current works generally use pre-trained object detectors or fixed, predefined regions to extract graph nodes. Improving upon this, our proposed model learns nodes that dynamically attach to well-delimited salient regions, which are relevant for a higher-level task, without using any object-level supervision. Constructing these localized, adaptive nodes gives our model inductive bias towards object-centric representations and we show that it discovers regions that are well correlated with objects in the video. In extensive ablation studies and experiments on two challenging datasets, we show superior performance to previous graph neural networks models for video classification.

The “cold posterior effect” (CPE) in Bayesian deep learning describes the disturbing observation that the predictive performance of Bayesian neural networks can be significantly improved if the Bayes posterior is artificially sharpened using a temperature parameter T <1. The CPE is problematic in theory and practice and since the effect was identified many researchers have proposed hypotheses to explain the phenomenon. However, despite this intensive research effort the effect remains poorly understood. In this work we provide novel and nuanced evidence relevant to existing explanations for the cold posterior effect, disentangling three hypotheses: 1. The dataset curation hypothesis of Aitchison (2020): we show empirically that the CPE does not arise in a real curated data set but can be produced in a controlled experiment with varying curation strength. 2. The data augmentation hypothesis of Izmailov et al. (2021) and Fortuin et al. (2021): we show empirically that data augmentation is sufficient but not necessary for the CPE to be present. 3. The bad prior hypothesis of Wenzel et al. (2020): we use a simple experiment evaluating the relative importance of the prior and the likelihood, strongly linking the CPE to the prior. Our results demonstrate how the CPE can arise …

Driven by the considerable profits, the crime of drug trafficking (a.k.a. illicit drug trading) has co-evolved with modern technologies, e.g., social media such as Instagram has become a popular platform for marketing and selling illicit drugs. The activities of online drug trafficking are nimble and resilient, which call for novel techniques to effectively detect, disrupt, and dismantle illicit drug trades. In this paper, we propose a holistic framework named MetaHG to automatically detect illicit drug traffickers on social media (i.e., Instagram), by tackling the following two new challenges: (1) different from existing works which merely focus on analyzing post content, MetaHG is capable of jointly modeling multi-modal content and relational structured information on social media for illicit drug trafficker detection; (2) in addition, through the proposed meta-learning technique, MetaHG addresses the issue of requiring sufficient data for model training. More specifically, in our proposed MetaHG, we first build a heterogeneous graph (HG) to comprehensively characterize the complex ecosystem of drug trafficking on social media. Then, we employ a relation-based graph convolutional neural network to learn node (i.e., user) representations over the built HG, in which we introduce graph structure refinement to compensate the sparse connection among entities in the HG …

Adversarial examples, generated by carefully crafted perturbation, have attracted considerable attention in research fields. Recent works have argued that the existence of the robust and non-robust features is a primary cause of the adversarial examples, and investigated their internal interactions in the feature space. In this paper, we propose a way of explicitly distilling feature representation into the robust and non-robust features, using Information Bottleneck. Specifically, we inject noise variation to each feature unit and evaluate the information flow in the feature representation to dichotomize feature units either robust or non-robust, based on the noise variation magnitude. Through comprehensive experiments, we demonstrate that the distilled features are highly correlated with adversarial prediction, and they have human-perceptible semantic information by themselves. Furthermore, we present an attack mechanism intensifying the gradient of non-robust features that is directly related to the model prediction, and validate its effectiveness of breaking model robustness.

Post-hoc gradient-based interpretability methods [Simonyan et al., 2013, Smilkov et al., 2017] that provide instance-specific explanations of model predictions are often based on assumption (A): magnitude of input gradients—gradients of logits with respect to input—noisily highlight discriminative task-relevant features. In this work, we test the validity of assumption (A) using a three-pronged approach:1. We develop an evaluation framework, DiffROAR, to test assumption (A) on four image classification benchmarks. Our results suggest that (i) input gradients of standard models (i.e., trained on original data) may grossly violate (A), whereas (ii) input gradients of adversarially robust models satisfy (A).2. We then introduce BlockMNIST, an MNIST-based semi-real dataset, that by design encodes a priori knowledge of discriminative features. Our analysis on BlockMNIST leverages this information to validate as well as characterize differences between input gradient attributions of standard and robust models.3. Finally, we theoretically prove that our empirical findings hold on a simplified version of the BlockMNIST dataset. Specifically, we prove that input gradients of standard one-hidden-layer MLPs trained on this dataset do not highlight instance-specific signal coordinates, thus grossly violating assumption (A).Our findings motivate the need to formalize and test common assumptions in interpretability in a falsifiable manner [Leavitt and Morcos, 2020]. …

The scarcity of labeled data is a critical obstacle to deep learning. Semi-supervised learning (SSL) provides a promising way to leverage unlabeled data by pseudo labels. However, when the size of labeled data is very small (say a few labeled samples per class), SSL performs poorly and unstably, possibly due to the low quality of learned pseudo labels. In this paper, we propose a new SSL method called DP-SSL that adopts an innovative data programming (DP) scheme to generate probabilistic labels for unlabeled data. Different from existing DP methods that rely on human experts to provide initial labeling functions (LFs), we develop a multiple-choice learning~(MCL) based approach to automatically generate LFs from scratch in SSL style. With the noisy labels produced by the LFs, we design a label model to resolve the conflict and overlap among the noisy labels, and finally infer probabilistic labels for unlabeled samples. Extensive experiments on four standard SSL benchmarks show that DP-SSL can provide reliable labels for unlabeled data and achieve better classification performance on test sets than existing SSL methods, especially when only a small number of labeled samples are available. Concretely, for CIFAR-10 with only 40 labeled samples, DP-SSL achieves 93.82% annotation accuracy …

According to Complementary Learning Systems (CLS) theory~\cite{mcclelland1995there} in neuroscience, humans do effective \emph{continual learning} through two complementary systems: a fast learning system centered on the hippocampus for rapid learning of the specifics and individual experiences, and a slow learning system located in the neocortex for the gradual acquisition of structured knowledge about the environment. Motivated by this theory, we propose a novel continual learning framework named ``DualNet", which comprises a fast learning system for supervised learning of pattern-separated representation from specific tasks and a slow learning system for unsupervised representation learning of task-agnostic general representation via a Self-Supervised Learning (SSL) technique. The two fast and slow learning systems are complementary and work seamlessly in a holistic continual learning framework. Our extensive experiments on two challenging continual learning benchmarks of CORE50 and miniImageNet show that DualNet outperforms state-of-the-art continual learning methods by a large margin. We further conduct ablation studies of different SSL objectives to validate DualNet's efficacy, robustness, and scalability. Code is publicly available at \url{https://github.com/phquang/DualNet}.

Transformers with remarkable global representation capacities achieve competitive results for visual tasks, but fail to consider high-level local pattern information in input images. In this paper, we present a generic Dual-stream Network (DS-Net) to fully explore the representation capacity of local and global pattern features for image classification. Our DS-Net can simultaneously calculate fine-grained and integrated features and efficiently fuse them. Specifically, we propose an Intra-scale Propagation module to process two different resolutions in each block and an Inter-Scale Alignment module to perform information interaction across features at dual scales. Besides, we also design a Dual-stream FPN (DS-FPN) to further enhance contextual information for downstream dense predictions. Without bells and whistles, the proposed DS-Net outperforms DeiT-Small by 2.4\% in terms of top-1 accuracy on ImageNet-1k and achieves state-of-the-art performance over other Vision Transformers and ResNets. For object detection and instance segmentation, DS-Net-Small respectively outperforms ResNet-50 by 6.4\% and 5.5 \% in terms of mAP on MSCOCO 2017, and surpasses the previous state-of-the-art scheme, which significantly demonstrates its potential to be a general backbone in vision tasks. The code will be released soon.

Sequence-to-sequence learning naturally has two directions. How to effectively utilize supervision signals from both directions? Existing approaches either require two separate models, or a multitask-learned model but with inferior performance. In this paper, we propose REDER (Reversible Duplex Transformer), a parameter-efficient model and apply it to machine translation. Either end of REDER can simultaneously input and output a distinct language. Thus REDER enables {\em reversible machine translation} by simply flipping the input and output ends. Experiments verify that REDER achieves the first success of reversible machine translation, which helps outperform its multitask-trained baselines by up to 1.3 BLEU.

Transformers, the de-facto standard for language modeling, have been recently applied for vision tasks. This paper introduces sparse queries for vision transformers to exploit the intrinsic spatial redundancy of natural images and save computational costs. Specifically, we propose a Dynamic Grained Encoder for vision transformers, which can adaptively assign a suitable number of queries to each spatial region. Thus it achieves a fine-grained representation in discriminative regions while keeping high efficiency. Besides, the dynamic grained encoder is compatible with most vision transformer frameworks. Without bells and whistles, our encoder allows the state-of-the-art vision transformers to reduce computational complexity by 40%-60% while maintaining comparable performance on image classification. Extensive experiments on object detection and segmentation further demonstrate the generalizability of our approach. Code is available at https://github.com/StevenGrove/vtpack.

A recently introduced technique, called safe screening,'' for a sparse optimization problem allows us to identify irrelevant variables in the early stages of optimization. In this paper, we first propose a flexible framework for safe screening based on the Fenchel--Rockafellar duality and then derive a strong safe screening rule for norm-regularized least squares using the proposed framework. We refer to the proposed screening rule for norm-regularized least squares asdynamic Sasvi'' because it can be interpreted as a generalization of Sasvi. Unlike the original Sasvi, it does not require the exact solution of a more strongly regularized problem; hence, it works safely in practice. We show that our screening rule always eliminates more features compared with the existing state-of-the-art methods.

Visual Transformers (VTs) are emerging as an architectural paradigm alternative to Convolutional networks (CNNs). Differently from CNNs, VTs can capture global relations between image elements and they potentially have a larger representation capacity. However, the lack of the typical convolutional inductive bias makes these models more data hungry than common CNNs. In fact, some local properties of the visual domain which are embedded in the CNN architectural design, in VTs should be learned from samples. In this paper, we empirically analyse different VTs, comparing their robustness in a small training set regime, and we show that, despite having a comparable accuracy when trained on ImageNet, their performance on smaller datasets can be largely different. Moreover, we propose an auxiliary self-supervised task which can extract additional information from images with only a negligible computational overhead. This task encourages the VTs to learn spatial relations within an image and makes the VT training much more robust when training data is scarce. Our task is used jointly with the standard (supervised) training and it does not depend on specific architectural choices, thus it can be easily plugged in the existing VTs. Using an extensive evaluation with different VTs and datasets, we show that …

Error correction techniques have been used to refine the output sentences from automatic speech recognition (ASR) models and achieve a lower word error rate (WER) than original ASR outputs. Previous works usually use a sequence-to-sequence model to correct an ASR output sentence autoregressively, which causes large latency and cannot be deployed in online ASR services. A straightforward solution to reduce latency, inspired by non-autoregressive (NAR) neural machine translation, is to use an NAR sequence generation model for ASR error correction, which, however, comes at the cost of significantly increased ASR error rate. In this paper, observing distinctive error patterns and correction operations (i.e., insertion, deletion, and substitution) in ASR, we propose FastCorrect, a novel NAR error correction model based on edit alignment. In training, FastCorrect aligns each source token from an ASR output sentence to the target tokens from the corresponding ground-truth sentence based on the edit distance between the source and target sentences, and extracts the number of target tokens corresponding to each source token during edition/correction, which is then used to train a length predictor and to adjust the source tokens to match the length of the target sentence for parallel generation. In inference, the token number predicted …

In this paper, we study gradient methods for training deep linear neural networks with binary cross-entropy loss. In particular, we show global directional convergence guarantees from a polynomial rate to a linear rate for (deep) linear networks with spherically symmetric data distribution, which can be viewed as a specific zero-margin dataset. Our results do not require the assumptions in other works such as small initial loss, presumed convergence of weight direction, or overparameterization. We also characterize our findings in experiments.

Recent blind super-resolution (SR) methods typically consist of two branches, one for degradation prediction and the other for conditional restoration. However, our experiments show that a one-branch network can achieve comparable performance to the two-branch scheme. Then we wonder: how can one-branch networks automatically learn to distinguish degradations? To find the answer, we propose a new diagnostic tool -- Filter Attribution method based on Integral Gradient (FAIG). Unlike previous integral gradient methods, our FAIG aims at finding the most discriminative filters instead of input pixels/features for degradation removal in blind SR networks. With the discovered filters, we further develop a simple yet effective method to predict the degradation of an input image. Based on FAIG, we show that, in one-branch blind SR networks, 1) we could find a very small number of (1%) discriminative filters for each specific degradation; 2) The weights, locations and connections of the discovered filters are all important to determine the specific network function. 3) The task of degradation prediction can be implicitly realized by these discriminative filters without explicit supervised learning. Our findings can not only help us better understand network behaviors inside one-branch blind SR networks, but also provide guidance on designing more efficient …

Modern deep neural networks (DNNs) become frail when the datasets contain noisy (incorrect) class labels. Robust techniques in the presence of noisy labels can be categorized into two folds: developing noise-robust functions or using noise-cleansing methods by detecting the noisy data. Recently, noise-cleansing methods have been considered as the most competitive noisy-label learning algorithms. Despite their success, their noisy label detectors are often based on heuristics more than a theory, requiring a robust classifier to predict the noisy data with loss values. In this paper, we propose a novel detector for filtering label noise. Unlike most existing methods, we focus on each data's latent representation dynamics and measure the alignment between the latent distribution and each representation using the eigen decomposition of the data gram matrix. Our framework, coined as filtering noisy instances via their eigenvectors (FINE), provides a robust detector with derivative-free simple methods having theoretical guarantees. Under our framework, we propose three applications of the FINE: sample-selection approach, semi-supervised learning approach, and collaboration with noise-robust loss functions. Experimental results show that the proposed methods consistently outperform corresponding baselines for all three applications on various benchmark datasets.

The backpropagation networks are notably susceptible to catastrophic forgetting, where networks tend to forget previously learned skills upon learning new ones. To address such the 'sensitivity-stability' dilemma, most previous efforts have been contributed to minimizing the empirical risk with different parameter regularization terms and episodic memory, but rarely exploring the usages of the weight loss landscape. In this paper, we investigate the relationship between the weight loss landscape and sensitivity-stability in the continual learning scenario, based on which, we propose a novel method, Flattening Sharpness for Dynamic Gradient Projection Memory (FS-DGPM). In particular, we introduce a soft weight to represent the importance of each basis representing past tasks in GPM, which can be adaptively learned during the learning process, so that less important bases can be dynamically released to improve the sensitivity of new skill learning. We further introduce Flattening Sharpness (FS) to reduce the generalization gap by explicitly regulating the flatness of the weight loss landscape of all seen tasks. As demonstrated empirically, our proposed method consistently outperforms baselines with the superior ability to learn new skills while alleviating forgetting effectively.

Learning to reconstruct 3D garments is important for dressing 3D human bodies of different shapes in different poses. Previous works typically rely on 2D images as input, which however suffer from the scale and pose ambiguities. To circumvent the problems caused by 2D images, we propose a principled framework, Garment4D, that uses 3D point cloud sequences of dressed humans for garment reconstruction. Garment4D has three dedicated steps: sequential garments registration, canonical garment estimation, and posed garment reconstruction. The main challenges are two-fold: 1) effective 3D feature learning for fine details, and 2) capture of garment dynamics caused by the interaction between garments and the human body, especially for loose garments like skirts. To unravel these problems, we introduce a novel Proposal-Guided Hierarchical Feature Network and Iterative Graph Convolution Network, which integrate both high-level semantic features and low-level geometric features for fine details reconstruction. Furthermore, we propose a Temporal Transformer for smooth garment motions capture. Unlike non-parametric methods, the reconstructed garment meshes by our method are separable from the human body and have strong interpretability, which is desirable for downstream tasks. As the first attempt at this task, high-quality reconstruction results are qualitatively and quantitatively illustrated through extensive experiments. Codes are …

Defocus blur is one kind of blur effects often seen in images, which is challenging to remove due to its spatially variant amount. This paper presents an end-to-end deep learning approach for removing defocus blur from a single image, so as to have an all-in-focus image for consequent vision tasks. First, a pixel-wise Gaussian kernel mixture (GKM) model is proposed for representing spatially variant defocus blur kernels in an efficient linear parametric form, with higher accuracy than existing models. Then, a deep neural network called GKMNet is developed by unrolling a fixed-point iteration of the GKM-based deblurring. The GKMNet is built on a lightweight scale-recurrent architecture, with a scale-recurrent attention module for estimating the mixing coefficients in GKM for defocus deblurring. Extensive experiments show that the GKMNet not only noticeably outperforms existing defocus deblurring methods, but also has its advantages in terms of model complexity and computational efficiency.

Graph embedding, which represents real-world entities in a mathematical space, has enabled numerous applications such as analyzing natural languages, social networks, biochemical networks, and knowledge bases.It has been experimentally shown that graph embedding in hyperbolic space can represent hierarchical tree-like data more effectively than embedding in linear space, owing to hyperbolic space's exponential growth property. However, since the theoretical comparison has been limited to ideal noiseless settings, the potential for the hyperbolic space's property to worsen the generalization error for practical data has not been analyzed.In this paper, we provide a generalization error bound applicable for graph embedding both in linear and hyperbolic spaces under various negative sampling settings that appear in graph embedding. Our bound states that error is polynomial and exponential with respect to the embedding space's radius in linear and hyperbolic spaces, respectively, which implies that hyperbolic space's exponential growth property worsens the error.Using our bound, we clarify the data size condition on which graph embedding in hyperbolic space can represent a tree better than in Euclidean space by discussing the bias-variance trade-off.Our bound also shows that imbalanced data distribution, which often appears in graph embedding, can worsen the error.

Few-shot object detection (FSOD) aims to detect new objects based on few annotated samples. To alleviate the impact of few samples, enhancing the generalization and discrimination abilities of detectors on new objects plays an important role. In this paper, we explore employing Singular Value Decomposition (SVD) to boost both the generalization and discrimination abilities. In specific, we propose a novel method, namely, SVD-Dictionary enhancement, to build two separated spaces based on the sorted singular values. Concretely, the eigenvectors corresponding to larger singular values are used to build the generalization space in which localization is performed, as these eigenvectors generally suppress certain variations (e.g., the variation of styles) and contain intrinsical characteristics of objects. Meanwhile, since the eigenvectors corresponding to relatively smaller singular values may contain richer category-related information, we can utilize them to build the discrimination space in which classification is performed. Dictionary learning is further leveraged to capture high-level discriminative information from the discrimination space, which is beneficial for improving detection accuracy. In the experiments, we separately verify the effectiveness of our method on PASCAL VOC and COCO benchmarks. Particularly, for the 2-shot case in VOC split1, our method significantly outperforms the baseline by 6.2\%. Moreover, visualization analysis shows …

The advent of generative radiance fields has significantly promoted the development of 3D-aware image synthesis. The cumulative rendering process in radiance fields makes training these generative models much easier since gradients are distributed over the entire volume, but leads to diffused object surfaces. In the meantime, compared to radiance fields occupancy representations could inherently ensure deterministic surfaces. However, if we directly apply occupancy representations to generative models, during training they will only receive sparse gradients located on object surfaces and eventually suffer from the convergence problem. In this paper, we propose Generative Occupancy Fields (GOF), a novel model based on generative radiance fields that can learn compact object surfaces without impeding its training convergence. The key insight of GOF is a dedicated transition from the cumulative rendering in radiance fields to rendering with only the surface points as the learned surface gets more and more accurate. In this way, GOF combines the merits of two representations in a unified framework. In practice, the training-time transition of start from radiance fields and march to occupancy representations is achieved in GOF by gradually shrinking the sampling region in its rendering process from the entire volume to a minimal neighboring region around the …

Deep neural networks have achieved human-level capabilities in various learning tasks. However, they generally lose performance in more realistic scenarios like learning in a continual manner. In contrast, humans can incorporate their prior knowledge to learn new concepts efficiently without forgetting older ones. In this work, we leverage meta-learning to encourage the model to learn how to learn continually. Inspired by human concept learning, we develop a generative classifier that efficiently uses data-driven experience to learn new concepts even from few samples while being immune to forgetting. Along with cognitive and theoretical insights, extensive experiments on standard benchmarks demonstrate the effectiveness of the proposed method. The ability to remember all previous concepts, with negligible computational and structural overheads, suggests that generative models provide a natural way for alleviating catastrophic forgetting, which is a major drawback of discriminative models.

Recent advances in self-attention and pure multi-layer perceptrons (MLP) models for vision have shown great potential in achieving promising performance with fewer inductive biases. These models are generally based on learning interaction among spatial locations from raw data. The complexity of self-attention and MLP grows quadratically as the image size increases, which makes these models hard to scale up when high-resolution features are required. In this paper, we present the Global Filter Network (GFNet), a conceptually simple yet computationally efficient architecture, that learns long-term spatial dependencies in the frequency domain with log-linear complexity. Our architecture replaces the self-attention layer in vision transformers with three key operations: a 2D discrete Fourier transform, an element-wise multiplication between frequency-domain features and learnable global filters, and a 2D inverse Fourier transform. We exhibit favorable accuracy/complexity trade-offs of our models on both ImageNet and downstream tasks. Our results demonstrate that GFNet can be a very competitive alternative to transformer-style models and CNNs in efficiency, generalization ability and robustness. Code is available at https://github.com/raoyongming/GFNet

Innovations in neural architectures have fostered significant breakthroughs in language modeling and computer vision. Unfortunately, novel architectures often result in challenging hyper-parameter choices and training instability if the network parameters are not properly initialized. A number of architecture-specific initialization schemes have been proposed, but these schemes are not always portable to new architectures. This paper presents GradInit, an automated and architecture agnostic method for initializing neural networks. GradInit is based on a simple heuristic; the norm of each network layer is adjusted so that a single step of SGD or Adam with prescribed hyperparameters results in the smallest possible loss value. This adjustment is done by introducing a scalar multiplier variable in front of each parameter block, and then optimizing these variables using a simple numerical scheme. GradInit accelerates the convergence and test performance of many convolutional architectures, both with or without skip connections, and even without normalization layers. It also improves the stability of the original Transformer architecture for machine translation, enabling training it without learning rate warmup using either Adam or SGD under a wide range of learning rates and momentum coefficients. Code is available at https://github.com/zhuchen03/gradinit.

This paper studies a long-standing problem of learning the representations of a whole graph without human supervision. The recent self-supervised learning methods train models to be invariant to the transformations (views) of the inputs. However, designing these views requires the experience of human experts. Inspired by adversarial training, we propose an adversarial self-supervised learning (\texttt{GASSL}) framework for learning unsupervised representations of graph data without any handcrafted views. \texttt{GASSL} automatically generates challenging views by adding perturbations to the input and are adversarially trained with respect to the encoder. Our method optimizes the min-max problem and utilizes a gradient accumulation strategy to accelerate the training process. Experimental on ten graph classification datasets show that the proposed approach is superior to state-of-the-art self-supervised learning baselines, which are competitive with supervised models.

The representation learning on textual graph is to generate low-dimensional embeddings for the nodes based on the individual textual features and the neighbourhood information. Recent breakthroughs on pretrained language models and graph neural networks push forward the development of corresponding techniques. The existing works mainly rely on the cascaded model architecture: the textual features of nodes are independently encoded by language models at first; the textual embeddings are aggregated by graph neural networks afterwards. However, the above architecture is limited due to the independent modeling of textual features. In this work, we propose GraphFormers, where layerwise GNN components are nested alongside the transformer blocks of language models. With the proposed architecture, the text encoding and the graph aggregation are fused into an iterative workflow, making each node's semantic accurately comprehended from the global perspective. In addition, a progressive learning strategy is introduced, where the model is successively trained on manipulated data and original data to reinforce its capability of integrating information on graph. Extensive evaluations are conducted on three large-scale benchmark datasets, where GraphFormers outperform the SOTA baselines with comparable running efficiency. The source code is released at https://github.com/microsoft/GraphFormers .

In this paper, we follow Rodomanov and Nesterov’s work to study quasi-Newton methods. We focus on the common SR1 and BFGS quasi-Newton methods to establish better explicit (local) superlinear convergence rates. First, based on the greedy quasi-Newton update which greedily selects the direction to maximize a certain measure of progress, we improve the convergence rate to a condition-number-free superlinear convergence rate. Second, based on the random quasi-Newton update that selects the direction randomly from a spherically symmetric distribution, we show the same superlinear convergence rate established as above. Our analysis is closely related to the approximation of a given Hessian matrix, unconstrained quadratic objective, as well as the general strongly convex, smooth, and strongly self-concordant functions.

Adder neural networks (ANNs) are designed for low energy cost which replace expensive multiplications in convolutional neural networks (CNNs) with cheaper additions to yield energy-efficient neural networks and hardware accelerations. Although ANNs achieve satisfactory efficiency, there exist gaps between ANNs and CNNs where the accuracy of ANNs can hardly be compared to CNNs without the assistance of other training tricks, such as knowledge distillation. The inherent discrepancy lies in the similarity measurement between filters and features, however how to alleviate this difference remains unexplored. To locate the potential problem of ANNs, we focus on the property difference due to similarity measurement. We demonstrate that unordered heavy tails in ANNs could be the key component which prevents ANNs from achieving superior classification performance since fatter tails tend to overlap in feature space. Through pre-defining Multivariate Skew Laplace distributions and embedding feature distributions into the loss function, ANN features can be fully controlled and designed for various properties. We further present a novel method for tackling existing heavy tails in ANNs with only a modification of classifier where ANN features are clustered with their tails well-formulated through proposed angle-based constraint on the distribution parameters to encourage high diversity of tails. Experiments conducted …

The fine-tuning of pre-trained language models has a great success in many NLP fields. Yet, it is strikingly vulnerable to adversarial examples, e.g., word substitution attacks using only synonyms can easily fool a BERT-based sentiment analysis model. In this paper, we demonstrate that adversarial training, the prevalent defense technique, does not directly fit a conventional fine-tuning scenario, because it suffers severely from catastrophic forgetting: failing to retain the generic and robust linguistic features that have already been captured by the pre-trained model. In this light, we propose Robust Informative Fine-Tuning (RIFT), a novel adversarial fine-tuning method from an information-theoretical perspective. In particular, RIFT encourages an objective model to retain the features learned from the pre-trained model throughout the entire fine-tuning process, whereas a conventional one only uses the pre-trained weights for initialization. Experimental results show that RIFT consistently outperforms the state-of-the-arts on two popular NLP tasks: sentiment analysis and natural language inference, under different attacks across various pre-trained language models.

In this paper, we model the subspace of convolutional filters with a neural ordinary differential equation (ODE) to enable gradual changes in generated images. Decomposing convolutional filters over a set of filter atoms allows efficiently modeling and sampling from a subspace of high-dimensional filters. By further modeling filters atoms with a neural ODE, we show both empirically and theoretically that such introduced continuity can be propagated to the generated images, and thus achieves gradually evolved image generation. We support the proposed framework of image generation with continuous filter atoms using various experiments, including image-to-image translation and image generation conditioned on continuous labels. Without auxiliary network components and heavy supervision, the proposed continuous filter atoms allow us to easily manipulate the gradual change of generated images by controlling integration intervals of neural ordinary differential equation. This research sheds the light on using the subspace of network parameters to navigate the diverse appearance of image generation.

We introduce implicit Deep Adaptive Design (iDAD), a new method for performing adaptive experiments in real-time with implicit models. iDAD amortizes the cost of Bayesian optimal experimental design (BOED) by learning a design policy network upfront, which can then be deployed quickly at the time of the experiment. The iDAD network can be trained on any model which simulates differentiable samples, unlike previous design policy work that requires a closed form likelihood and conditionally independent experiments. At deployment, iDAD allows design decisions to be made in milliseconds, in contrast to traditional BOED approaches that require heavy computation during the experiment itself. We illustrate the applicability of iDAD on a number of experiments, and show that it provides a fast and effective mechanism for performing adaptive design with implicit models.

Combining discrete probability distributions and combinatorial optimization problems with neural network components has numerous applications but poses several challenges. We propose Implicit Maximum Likelihood Estimation (I-MLE), a framework for end-to-end learning of models combining discrete exponential family distributions and differentiable neural components. I-MLE is widely applicable as it only requires the ability to compute the most probable states and does not rely on smooth relaxations. The framework encompasses several approaches such as perturbation-based implicit differentiation and recent methods to differentiate through black-box combinatorial solvers. We introduce a novel class of noise distributions for approximating marginals via perturb-and-MAP. Moreover, we show that I-MLE simplifies to maximum likelihood estimation when used in some recently studied learning settings that involve combinatorial solvers. Experiments on several datasets suggest that I-MLE is competitive with and often outperforms existing approaches which rely on problem-specific relaxations.

Tree Search (TS) is crucial to some of the most influential successes in reinforcement learning. Here, we tackle two major challenges with TS that limit its usability: \textit{distribution shift} and \textit{scalability}. We first discover and analyze a counter-intuitive phenomenon: action selection through TS and a pre-trained value function often leads to lower performance compared to the original pre-trained agent, even when having access to the exact state and reward in future steps. We show this is due to a distribution shift to areas where value estimates are highly inaccurate and analyze this effect using Extreme Value theory. To overcome this problem, we introduce a novel off-policy correction term that accounts for the mismatch between the pre-trained value and its corresponding TS policy by penalizing under-sampled trajectories. We prove that our correction eliminates the above mismatch and bound the probability of sub-optimal action selection. Our correction significantly improves pre-trained Rainbow agents without any further training, often more than doubling their scores on Atari games. Next, we address the scalability issue given by the computational complexity of exhaustive TS that scales exponentially with the tree depth. We introduce Batch-BFS: a GPU breadth-first search that advances all nodes in each depth of the …

Optimization in the latent space of variational autoencoders is a promising approach to generate high-dimensional discrete objects that maximize an expensive black-box property (e.g., drug-likeness in molecular generation, function approximation with arithmetic expressions). However, existing methods lack robustness as they may decide to explore areas of the latent space for which no data was available during training and where the decoder can be unreliable, leading to the generation of unrealistic or invalid objects. We propose to leverage the epistemic uncertainty of the decoder to guide the optimization process. This is not trivial though, as a naive estimation of uncertainty in the high-dimensional and structured settings we consider would result in high estimator variance. To solve this problem, we introduce an importance sampling-based estimator that provides more robust estimates of epistemic uncertainty. Our uncertainty-guided optimization approach does not require modifications of the model architecture nor the training process. It produces samples with a better trade-off between black-box objective and validity of the generated samples, sometimes improving both simultaneously. We illustrate these advantages across several experimental settings in digit generation, arithmetic expression approximation and molecule generation for drug design.

Saliency methods have been widely used to highlight important input features in model predictions. Most existing methods use backpropagation on a modified gradient function to generate saliency maps. Thus, noisy gradients can result in unfaithful feature attributions. In this paper, we tackle this issue and introduce a {\it saliency guided training} procedure for neural networks to reduce noisy gradients used in predictions while retaining the predictive performance of the model. Our saliency guided training procedure iteratively masks features with small and potentially noisy gradients while maximizing the similarity of model outputs for both masked and unmasked inputs. We apply the saliency guided training procedure to various synthetic and real data sets from computer vision, natural language processing, and time series across diverse neural architectures, including Recurrent Neural Networks, Convolutional Networks, and Transformers. Through qualitative and quantitative evaluations, we show that saliency guided training procedure significantly improves model interpretability across various domains while preserving its predictive performance.

We derive information-theoretic generalization bounds for supervised learning algorithms based on the information contained in predictions rather than in the output of the training algorithm. These bounds improve over the existing information-theoretic bounds, are applicable to a wider range of algorithms, and solve two key challenges: (a) they give meaningful results for deterministic algorithms and (b) they are significantly easier to estimate. We show experimentally that the proposed bounds closely follow the generalization gap in practical scenarios for deep learning.

Partial label learning (PLL) is a typical weakly supervised learning problem, where each training example is associated with a set of candidate labels among which only one is true. Most existing PLL approaches assume that the incorrect labels in each training example are randomly picked as the candidate labels. However, this assumption is not realistic since the candidate labels are always instance-dependent. In this paper, we consider instance-dependent PLL and assume that each example is associated with a latent label distribution constituted by the real number of each label, representing the degree to each label describing the feature. The incorrect label with a high degree is more likely to be annotated as the candidate label. Therefore, the latent label distribution is the essential labeling information in partially labeled examples and worth being leveraged for predictive model training. Motivated by this consideration, we propose a novel PLL method that recovers the label distribution as a label enhancement (LE) process and trains the predictive model iteratively in every epoch. Specifically, we assume the true posterior density of the latent label distribution takes on the variational approximate Dirichlet density parameterized by an inference model. Then the evidence lower bound is deduced for optimizing …

In human pedagogy, teachers and students can interact adaptively to maximize communication efficiency. The teacher adjusts her teaching method for different students, and the student, after getting familiar with the teacher’s instruction mechanism, can infer the teacher’s intention to learn faster. Recently, the benefits of integrating this cooperative pedagogy into machine concept learning in discrete spaces have been proved by multiple works. However, how cooperative pedagogy can facilitate machine parameter learning hasn’t been thoroughly studied. In this paper, we propose a gradient optimization based teacher-aware learner who can incorporate teacher’s cooperative intention into the likelihood function and learn provably faster compared with the naive learning algorithms used in previous machine teaching works. We give theoretical proof that the iterative teacher-aware learning (ITAL) process leads to local and global improvements. We then validate our algorithms with extensive experiments on various tasks including regression, classification, and inverse reinforcement learning using synthetic and real data. We also show the advantage of modeling teacher-awareness when agents are learning from human teachers.

Semantic, instance, and panoptic segmentations have been addressed using different and specialized frameworks despite their underlying connections. This paper presents a unified, simple, and effective framework for these essentially similar tasks. The framework, named K-Net, segments both instances and semantic categories consistently by a group of learnable kernels, where each kernel is responsible for generating a mask for either a potential instance or a stuff class. To remedy the difficulties of distinguishing various instances, we propose a kernel update strategy that enables each kernel dynamic and conditional on its meaningful group in the input image. K-Net can be trained in an end-to-end manner with bipartite matching, and its training and inference are naturally NMS-free and box-free. Without bells and whistles, K-Net surpasses all previous published state-of-the-art single-model results of panoptic segmentation on MS COCO test-dev split and semantic segmentation on ADE20K val split with 55.2% PQ and 54.3% mIoU, respectively. Its instance segmentation performance is also on par with Cascade Mask R-CNN on MS COCO with 60%-90% faster inference speeds. Code and models will be released at https://github.com/ZwwWayne/K-Net/.

In this paper, we provide a theory of using graph neural networks (GNNs) for multi-node representation learning (where we are interested in learning a representation for a set of more than one node, such as link). We know that GNN is designed to learn single-node representations. When we want to learn a node set representation involving multiple nodes, a common practice in previous works is to directly aggregate the single-node representations obtained by a GNN into a joint node set representation. In this paper, we show a fundamental constraint of such an approach, namely the inability to capture the dependence between nodes in the node set, and argue that directly aggregating individual node representations does not lead to an effective joint representation for multiple nodes. Then, we notice that a few previous successful works for multi-node representation learning, including SEAL, Distance Encoding, and ID-GNN, all used node labeling. These methods first label nodes in the graph according to their relationships with the target node set before applying a GNN. Then, the node representations obtained in the labeled graph are aggregated into a node set representation. By investigating their inner mechanisms, we unify these node labeling techniques into a single and …

Active learning effectively collects data instances for training deep learning models when the labeled dataset is limited and the annotation cost is high. Data augmentation is another effective technique to enlarge the limited amount of labeled instances. The scarcity of labeled dataset leads us to consider the integration of data augmentation and active learning. One possible approach is a pipelined combination, which selects informative instances via the acquisition function and generates virtual instances from the selected instances via augmentation. However, this pipelined approach would not guarantee the informativeness of the virtual instances. This paper proposes Look-Ahead Data Acquisition via augmentation, or LADA framework, that looks ahead the effect of data augmentation in the process of acquisition. LADA jointly considers both 1) unlabeled data instance to be selected and 2) virtual data instance to be generated by data augmentation, to construct the acquisition function. Moreover, to generate maximally informative virtual instances, LADA optimizes the data augmentation policy to maximize the predictive acquisition score, resulting in the proposal of InfoSTN and InfoMixup. The experimental results of LADA show a significant improvement over the recent augmentation and acquisition baselines that were independently applied.

In Vision-and-Language Navigation (VLN) task, an agent is asked to navigate inside 3D indoor environments following given instructions. Cross-modal alignment is one of the most critical challenges in VLN because the predicted trajectory needs to match the given instruction accurately. In this paper, we address the cross-modal alignment challenge from the perspective of fine-grain. Firstly, to alleviate weak cross-modal alignment supervision from coarse-grained data, we introduce a human-annotated fine-grained VLN dataset, namely Landmark-RxR. Secondly, to further enhance local cross-modal alignment under fine-grained supervision, we investigate the focal-oriented rewards with soft and hard forms, by focusing on the critical points sampled from fine-grained Landmark-RxR. Moreover, to fully evaluate the navigation process, we also propose a re-initialization mechanism that makes metrics insensitive to difficult points, which can cause the agent to deviate from the correct trajectories. Experimental results show that our agent has superior navigation performance on Landmark-RxR, en-RxR and R2R. Our dataset and code are available at https://github.com/hekj/Landmark-RxR.

Deep neural networks are susceptible to learn biased models with entangled feature representations, which may lead to subpar performances on various downstream tasks. This is particularly true for under-represented classes, where a lack of diversity in the data exacerbates the tendency. This limitation has been addressed mostly in classification tasks, but there is little study on additional challenges that may appear in more complex dense prediction problems including semantic segmentation. To this end, we propose a model-agnostic and stochastic training scheme for semantic segmentation, which facilitates the learning of debiased and disentangled representations. For each class, we first extract class-specific information from the highly entangled feature map. Then, information related to a randomly sampled class is suppressed by a feature selection process in the feature space. By randomly eliminating certain class information in each training iteration, we effectively reduce feature dependencies among classes, and the model is able to learn more debiased and disentangled feature representations. Models trained with our approach demonstrate strong results on multiple semantic segmentation benchmarks, with especially notable performance gains on under-represented classes.

Recently, many researchers have made successful progress in building the AI systems for MOBA-game-playing with deep reinforcement learning, such as on Dota 2 and Honor of Kings. Even though these AI systems have achieved or even exceeded human-level performance, they still suffer from the lack of policy diversity. In this paper, we propose a novel Macro-Goals Guided framework, called MGG, to learn diverse policies in MOBA games. MGG abstracts strategies as macro-goals from human demonstrations and trains a Meta-Controller to predict these macro-goals. To enhance policy diversity, MGG samples macro-goals from the Meta-Controller prediction and guides the training process towards these goals. Experimental results on the typical MOBA game Honor of Kings demonstrate that MGG can execute diverse policies in different matches and lineups, and also outperform the state-of-the-art methods over 102 heroes.

Existing rotated object detectors are mostly inherited from the horizontal detection paradigm, as the latter has evolved into a well-developed area. However, these detectors are difficult to perform prominently in high-precision detection due to the limitation of current regression loss design, especially for objects with large aspect ratios. Taking the perspective that horizontal detection is a special case for rotated object detection, in this paper, we are motivated to change the design of rotation regression loss from induction paradigm to deduction methodology, in terms of the relation between rotation and horizontal detection. We show that one essential challenge is how to modulate the coupled parameters in the rotation regression loss, as such the estimated parameters can influence to each other during the dynamic joint optimization, in an adaptive and synergetic way. Specifically, we first convert the rotated bounding box into a 2-D Gaussian distribution, and then calculate the Kullback-Leibler Divergence (KLD) between the Gaussian distributions as the regression loss. By analyzing the gradient of each parameter, we show that KLD (and its derivatives) can dynamically adjust the parameter gradients according to the characteristics of the object. For instance, it will adjust the importance (gradient weight) of the angle parameter according …

This paper introduces a method for the nonparametric Bayesian learning of nonlinear operators, through the use of the Volterra series with kernels represented using Gaussian processes (GPs), which we term the nonparametric Volterra kernels model (NVKM). When the input function to the operator is unobserved and has a GP prior, the NVKM constitutes a powerful method for both single and multiple output regression, and can be viewed as a nonlinear and nonparametric latent force model. When the input function is observed, the NVKM can be used to perform Bayesian system identification. We use recent advances in efficient sampling of explicit functions from GPs to map process realisations through the Volterra series without resorting to numerical integration, allowing scalability through doubly stochastic variational inference, and avoiding the need for Gaussian approximations of the output processes. We demonstrate the performance of the model for both multiple output regression and system identification using standard benchmarks.

Linear mixed-effect models provide a natural baseline for estimating disease progression using longitudinal data. They provide interpretable models at the cost of modeling assumptions on the progression profiles and their variability across subjects. A significant improvement is to embed the data in a Riemannian manifold and learn patient-specific trajectories distributed around a central geodesic. A few interpretable parameters characterize subject trajectories at the cost of a prior choice of the metric, which determines the shape of the trajectories. We extend this approach by learning the metric from the data allowing more flexibility while keeping the interpretability. Specifically, we learn the metric as the push-forward of the Euclidean metric by a diffeomorphism. This diffeomorphism is estimated iteratively as the composition of radial basis functions belonging to a reproducible kernel Hilbert space. The metric update allows us to improve the forecasting of imaging and clinical biomarkers in the Alzheimer’s Disease Neuroimaging Initiative (ADNI) cohort. Our results compare favorably to the 56 methods benchmarked in the TADPOLE challenge.

Applications of Reinforcement Learning (RL) in robotics are often limited by high data demand. On the other hand, approximate models are readily available in many robotics scenarios, making model-based approaches like planning a data-efficient alternative. Still, the performance of these methods suffers if the model is imprecise or wrong. In this sense, the respective strengths and weaknesses of RL and model-based planners are complementary. In the present work, we investigate how both approaches can be integrated into one framework that combines their strengths. We introduce Learning to Execute (L2E), which leverages information contained in approximate plans to learn universal policies that are conditioned on plans. In our robotic manipulation experiments, L2E exhibits increased performance when compared to pure RL, pure planning, or baseline methods combining learning and planning.

Self-Driven Particles (SDP) describe a category of multi-agent systems common in everyday life, such as flocking birds and traffic flows. In a SDP system, each agent pursues its own goal and constantly changes its cooperative or competitive behaviors with its nearby agents. Manually designing the controllers for such SDP system is time-consuming, while the resulting emergent behaviors are often not realistic nor generalizable. Thus the realistic simulation of SDP systems remains challenging. Reinforcement learning provides an appealing alternative for automating the development of the controller for SDP. However, previous multi-agent reinforcement learning (MARL) methods define the agents to be teammates or enemies before hand, which fail to capture the essence of SDP where the role of each agent varies to be cooperative or competitive even within one episode. To simulate SDP with MARL, a key challenge is to coordinate agents' behaviors while still maximizing individual objectives. Taking traffic simulation as the testing bed, in this work we develop a novel MARL method called Coordinated Policy Optimization (CoPO), which incorporates social psychology principle to learn neural controller for SDP. Experiments show that the proposed method can achieve superior performance compared to MARL baselines in various metrics. Noticeably the trained vehicles exhibit …

While effective, deep neural networks (DNNs) are vulnerable to adversarial attacks. In particular, recent work has shown that such attacks could be generated by another deep network, leading to significant speedups over optimization-based perturbations. However, the ability of such generative methods to generalize to different test-time situations has not been systematically studied. In this paper, we, therefore, investigate the transferability of generated perturbations when the conditions at inference time differ from the training ones in terms of the target architecture, target data, and target task. Specifically, we identify the mid-level features extracted by the intermediate layers of DNNs as common ground across different architectures, datasets, and tasks. This lets us introduce a loss function based on such mid-level features to learn an effective, transferable perturbation generator. Our experiments demonstrate that our approach outperforms the state-of-the-art universal and transferable attack strategies.

Most existing point cloud detection models require large-scale, densely annotated datasets. They typically underperform in domain adaptation settings, due to geometry shifts caused by different physical environments or LiDAR sensor configurations. Therefore, it is challenging but valuable to learn transferable features between a labeled source domain and a novel target domain, without any access to target labels. To tackle this problem, we introduce the framework of 3D Contrastive Co-training (3D-CoCo) with two technical contributions. First, 3D-CoCo is inspired by our observation that the bird-eye-view (BEV) features are more transferable than low-level geometry features. We thus propose a new co-training architecture that includes separate 3D encoders with domain-specific parameters, as well as a BEV transformation module for learning domain-invariant features. Second, 3D-CoCo extends the approach of contrastive instance alignment to point cloud detection, whose performance was largely hindered by the mismatch between the fictitious distribution of BEV features, induced by pseudo-labels, and the true distribution. The mismatch is greatly reduced by 3D-CoCo with transformed point clouds, which are carefully designed by considering specific geometry priors. We construct new domain adaptation benchmarks using three large-scale 3D datasets. Experimental results show that our proposed 3D-CoCo effectively closes the domain gap and outperforms the …

Several out-of-distribution (OOD) detection scores have been recently proposed for deep generative models because the direct use of the likelihood threshold for OOD detection has been shown to be problematic. In this paper, we propose a new OOD score based on a Bayesian hypothesis test called the locally most powerful Bayesian test (LMPBT). The LMPBT is locally most powerful in that the alternative hypothesis (the representative parameter for the OOD sample) is specified to maximize the probability that the Bayes factor exceeds the evidence threshold in favor of the alternative hypothesis provided that the parameter specified under the alternative hypothesis is in the neighborhood of the parameter specified under the null hypothesis. That is, under this neighborhood parameter condition, the test with the proposed alternative hypothesis maximizes the probability of correct detection of OOD samples. We also propose numerical strategies for more efficient and reliable computation of the LMPBT for practical application to deep generative models. Evaluations conducted of the OOD detection performance of the LMPBT on various benchmark datasets demonstrate its superior performance over existing OOD detection methods.

Bayesian model averaging, obtained as the expectation of a likelihood function by a posterior distribution, has been widely used for prediction, evaluation of uncertainty, and model selection. Various approaches have been developed to efficiently capture the information in the posterior distribution; one such approach is the optimization of a set of models simultaneously with interaction to ensure the diversity of the individual models in the same way as ensemble learning. A representative approach is particle variational inference (PVI), which uses an ensemble of models as an empirical approximation for the posterior distribution. PVI iteratively updates each model with a repulsion force to ensure the diversity of the optimized models. However, despite its promising performance, a theoretical understanding of this repulsion and its association with the generalization ability remains unclear. In this paper, we tackle this problem in light of PAC-Bayesian analysis. First, we provide a new second-order Jensen inequality, which has the repulsion term based on the loss function. Thanks to the repulsion term, it is tighter than the standard Jensen inequality. Then, we derive a novel generalization error bound and show that it can be reduced by enhancing the diversity of models. Finally, we derive a new PVI that …

Nearly all state-of-the-art deep learning algorithms rely on error backpropagation, which is generally regarded as biologically implausible. An alternative way of training an artificial neural network is through treating each unit in the network as a reinforcement learning agent, and thus the network is considered as a team of agents. As such, all units can be trained by REINFORCE, a local learning rule modulated by a global signal that is more consistent with biologically observed forms of synaptic plasticity. Although this learning rule follows the gradient of return in expectation, it suffers from high variance and thus the low speed of learning, rendering it impractical to train deep networks. We therefore propose a novel algorithm called MAP propagation to reduce this variance significantly while retaining the local property of the learning rule. Experiments demonstrated that MAP propagation could solve common reinforcement learning tasks at a similar speed to backpropagation when applied to an actor-critic network. Our work thus allows for the broader application of teams of agents in deep reinforcement learning.

Reinforcement learning has achieved great success in many applications. However, sample efficiency remains a key challenge, with prominent methods requiring millions (or even billions) of environment steps to train. Recently, there has been significant progress in sample efficient image-based RL algorithms; however, consistent human-level performance on the Atari game benchmark remains an elusive goal. We propose a sample efficient model-based visual RL algorithm built on MuZero, which we name EfficientZero. Our method achieves 194.3% mean human performance and 109.0% median performance on the Atari 100k benchmark with only two hours of real-time game experience and outperforms the state SAC in some tasks on the DMControl 100k benchmark. This is the first time an algorithm achieves super-human performance on Atari games with such little data. EfficientZero's performance is also close to DQN's performance at 200 million frames while we consume 500 times less data. EfficientZero's low sample complexity and high performance can bring RL closer to real-world applicability. We implement our algorithm in an easy-to-understand manner and it is available at https://github.com/YeWR/EfficientZero. We hope it will accelerate the research of MCTS-based RL algorithms in the wider community.

Implicit neural representations are a promising new avenue of representing general signals by learning a continuous function that, parameterized as a neural network, maps the domain of a signal to its codomain; the mapping from spatial coordinates of an image to its pixel values, for example. Being capable of conveying fine details in a high dimensional signal, unboundedly of its domain, implicit neural representations ensure many advantages over conventional discrete representations. However, the current approach is difficult to scale for a large number of signals or a data set, since learning a neural representation---which is parameter heavy by itself---for each signal individually requires a lot of memory and computations. To address this issue, we propose to leverage a meta-learning approach in combination with network compression under a sparsity constraint, such that it renders a well-initialized sparse parameterization that evolves quickly to represent a set of unseen signals in the subsequent training. We empirically demonstrate that meta-learned sparse neural representations achieve a much smaller loss than dense meta-learned models with the same number of parameters, when trained to fit each signal using the same number of optimization steps.

Graph Neural Networks (GNNs) often suffer from weak-generalization due to sparsely labeled data despite their promising results on various graph-based tasks. Data augmentation is a prevalent remedy to improve the generalization ability of models in many domains. However, due to the non-Euclidean nature of data space and the dependencies between samples, designing effective augmentation on graphs is challenging. In this paper, we propose a novel framework Metropolis-Hastings Data Augmentation (MH-Aug) that draws augmented graphs from an explicit target distribution for semi-supervised learning. MH-Aug produces a sequence of augmented graphs from the target distribution enables flexible control of the strength and diversity of augmentation. Since the direct sampling from the complex target distribution is challenging, we adopt the Metropolis-Hastings algorithm to obtain the augmented samples. We also propose a simple and effective semi-supervised learning strategy with generated samples from MH-Aug. Our extensive experiments demonstrate that MH-Aug can generate a sequence of samples according to the target distribution to significantly improve the performance of GNNs.

Two-stage methods have dominated Human-Object Interaction~(HOI) detection for several years. Recently, one-stage HOI detection methods have become popular. In this paper, we aim to explore the essential pros and cons of two-stage and one-stage methods. With this as the goal, we find that conventional two-stage methods mainly suffer from positioning positive interactive human-object pairs, while one-stage methods are challenging to make an appropriate trade-off on multi-task learning, \emph{i.e.}, object detection, and interaction classification. Therefore, a core problem is how to take the essence and discard the dregs from the conventional two types of methods. To this end, we propose a novel one-stage framework with disentangling human-object detection and interaction classification in a cascade manner. In detail, we first design a human-object pair generator based on a state-of-the-art one-stage HOI detector by removing the interaction classification module or head and then design a relatively isolated interaction classifier to classify each human-object pair. Two cascade decoders in our proposed framework can focus on one specific task, detection or interaction classification. In terms of the specific implementation, we adopt a transformer-based HOI detector as our base model. The newly introduced disentangling paradigm outperforms existing methods by a large margin, with a significant relative …

Inspired by human intelligence, the research on online continual learning aims to push the limits of the machine learning models to constantly learn from sequentially encountered tasks, with the data from each task being observed in an online fashion. Though recent studies have achieved remarkable progress in improving the online continual learning performance empowered by the deep neural networks-based models, many of today's approaches still suffer a lot from catastrophic forgetting, a persistent challenge for continual learning. In this paper, we present a novel method which attempts to mitigate catastrophic forgetting in online continual learning from a new perspective, i.e., neuron calibration. In particular, we model the neurons in the deep neural networks-based models as calibrated units under a general formulation. Then we formalize a learning framework to effectively train the calibrated model, where neuron calibration could give ubiquitous benefit to balance the stability and plasticity of online continual learning algorithms through influencing both their forward inference path and backward optimization path. Our proposed formulation for neuron calibration is lightweight and applicable to general feed-forward neural networks-based models. We perform extensive experiments to evaluate our method on four benchmark continual learning datasets. The results show that neuron calibration plays a …

Object detection has achieved promising success, but requires large-scale fully-annotated data, which is time-consuming and labor-extensive. Therefore, we consider object detection with mixed supervision, which learns novel object categories using weak annotations with the help of full annotations of existing base object categories. Previous works using mixed supervision mainly learn the class-agnostic objectness from fully-annotated categories, which can be transferred to upgrade the weak annotations to pseudo full annotations for novel categories. In this paper, we further transfer mask prior and semantic similarity to bridge the gap between novel categories and base categories. Specifically, the ability of using mask prior to help detect objects is learned from base categories and transferred to novel categories. Moreover, the semantic similarity between objects learned from base categories is transferred to denoise the pseudo full annotations for novel categories. Experimental results on three benchmark datasets demonstrate the effectiveness of our method over existing methods. Codes are available at https://github.com/bcmi/TraMaS-Weak-Shot-Object-Detection.

Convolutional Neural Networks (CNNs) are the go-to model for computer vision. Recently, attention-based networks, such as the Vision Transformer, have also become popular. In this paper we show that while convolutions and attention are both sufficient for good performance, neither of them are necessary. We present MLP-Mixer, an architecture based exclusively on multi-layer perceptrons (MLPs). MLP-Mixer contains two types of layers: one with MLPs applied independently to image patches (i.e. "mixing" the per-location features), and one with MLPs applied across patches (i.e. "mixing" spatial information). When trained on large datasets, or with modern regularization schemes, MLP-Mixer attains competitive scores on image classification benchmarks, with pre-training and inference cost comparable to state-of-the-art models. We hope that these results spark further research beyond the realms of well established CNNs and Transformers.

We present an approach to encode a speech signal into a fixed-size representation which minimizes the cosine loss with the existing massively multilingual LASER text embedding space. Sentences are close in this embedding space, independently of their language and modality, either text or audio. Using a similarity metric in that multimodal embedding space, we perform mining of audio in German, French, Spanish and English from Librivox against billions of sentences from Common Crawl. This yielded more than twenty thousand hours of aligned speech translations. To evaluate the automatically mined speech/text corpora, we train neural speech translation systems for several languages pairs. Adding the mined data, achieves significant improvements in the BLEU score on the CoVoST2 and the MUST-C test sets with respect to a very competitive baseline. Our approach can also be used to directly perform speech-to-speech mining, without the need to first transcribe or translate the data. We obtain more than one thousand three hundred hours of aligned speech in French, German, Spanish and English. This speech corpus has the potential to boost research in speech-to-speech translation which suffers from scarcity of natural end-to-end training data. All the mined multimodal corpora will be made freely available.

Multi-View Representation Learning (MVRL) aims to discover a shared representation of observations from different views with the complex underlying correlation. In this paper, we propose a variational approach which casts MVRL as maximizing the amount of total correlation reduced by the representation, aiming to learn a shared latent representation that is informative yet succinct to capture the correlation among multiple views. To this end, we introduce a tractable surrogate objective function under the proposed framework, which allows our method to fuse and calibrate the observations in the representation space. From the information-theoretic perspective, we show that our framework subsumes existing multi-view generative models. Lastly, we show that our approach straightforwardly extends to the Partial MVRL (PMVRL) setting, where the observations are missing without any regular pattern. We demonstrate the effectiveness of our approach in the multi-view translation and classification tasks, outperforming strong baseline methods.

Biological agents are known to learn many different tasks over the course of their lives, and to be able to revisit previous tasks and behaviors with little to no loss in performance. In contrast, artificial agents are prone to ‘catastrophic forgetting’ whereby performance on previous tasks deteriorates rapidly as new ones are acquired. This shortcoming has recently been addressed using methods that encourage parameters to stay close to those used for previous tasks. This can be done by (i) using specific parameter regularizers that map out suitable destinations in parameter space, or (ii) guiding the optimization journey by projecting gradients into subspaces that do not interfere with previous tasks. However, these methods often exhibit subpar performance in both feedforward and recurrent neural networks, with recurrent networks being of interest to the study of neural dynamics supporting biological continual learning. In this work, we propose Natural Continual Learning (NCL), a new method that unifies weight regularization and projected gradient descent. NCL uses Bayesian weight regularization to encourage good performance on all tasks at convergence and combines this with gradient projection using the prior precision, which prevents catastrophic forgetting during optimization. Our method outperforms both standard weight regularization techniques and projection based …

Deep neural networks (DNNs) are powerful black-box predictors that have achieved impressive performance on a wide variety of tasks. However, their accuracy comes at the cost of intelligibility: it is usually unclear how they make their decisions. This hinders their applicability to high stakes decision-making domains such as healthcare. We propose Neural Additive Models (NAMs) which combine some of the expressivity of DNNs with the inherent intelligibility of generalized additive models. NAMs learn a linear combination of neural networks that each attend to a single input feature. These networks are trained jointly and can learn arbitrarily complex relationships between their input feature and the output. Our experiments on regression and classification datasets show that NAMs are more accurate than widely used intelligible models such as logistic regression and shallow decision trees. They perform similarly to existing state-of-the-art generalized additive models in accuracy, but are more flexible because they are based on neural nets instead of boosted trees. To demonstrate this, we show how NAMs can be used for multitask learning on synthetic data and on the COMPAS recidivism data due to their composability, and demonstrate that the differentiability of NAMs allows them to train more complex interpretable models for COVID-19.

With the tremendous advances in the architecture and scale of convolutional neural networks (CNNs) over the past few decades, they can easily reach or even exceed the performance of humans in certain tasks. However, a recently discovered shortcoming of CNNs is that they are vulnerable to adversarial attacks. Although the adversarial robustness of CNNs can be improved by adversarial training, there is a trade-off between standard accuracy and adversarial robustness. From the neural architecture perspective, this paper aims to improve the adversarial robustness of the backbone CNNs that have a satisfactory accuracy. Under a minimal computational overhead, the introduction of a dilation architecture is expected to be friendly with the standard performance of the backbone CNN while pursuing adversarial robustness. Theoretical analyses on the standard and adversarial error bounds naturally motivate the proposed neural architecture dilation algorithm. Experimental results on real-world datasets and benchmark neural networks demonstrate the effectiveness of the proposed algorithm to balance the accuracy and adversarial robustness.

Dubbing is a post-production process of re-recording actors’ dialogues, which is extensively used in filmmaking and video production. It is usually performed manually by professional voice actors who read lines with proper prosody, and in synchronization with the pre-recorded videos. In this work, we propose Neural Dubber, the first neural network model to solve a novel automatic video dubbing (AVD) task: synthesizing human speech synchronized with the given video from the text. Neural Dubber is a multi-modal text-to-speech (TTS) model that utilizes the lip movement in the video to control the prosody of the generated speech. Furthermore, an image-based speaker embedding (ISE) module is developed for the multi-speaker setting, which enables Neural Dubber to generate speech with a reasonable timbre according to the speaker’s face. Experiments on the chemistry lecture single-speaker dataset and LRS2 multi-speaker dataset show that Neural Dubber can generate speech audios on par with state-of-the-art TTS models in terms of speech quality. Most importantly, both qualitative and quantitative evaluations show that Neural Dubber can control the prosody of synthesized speech by the video, and generate high-fidelity speech temporally synchronized with the video.

Visual environments are structured, consisting of distinct objects or entities. These entities have properties---visible or latent---that determine the manner in which they interact with one another. To partition images into entities, deep-learning researchers have proposed structural inductive biases such as slot-based architectures. To model interactions among entities, equivariant graph neural nets (GNNs) are used, but these are not particularly well suited to the task for two reasons. First, GNNs do not predispose interactions to be sparse, as relationships among independent entities are likely to be. Second, GNNs do not factorize knowledge about interactions in an entity-conditional manner. As an alternative, we take inspiration from cognitive science and resurrect a classic approach, production systems, which consist of a set of rule templates that are applied by binding placeholder variables in the rules to specific entities. Rules are scored on their match to entities, and the best fitting rules are applied to update entity properties. In a series of experiments, we demonstrate that this architecture achieves a flexible, dynamic flow of control and serves to factorize entity-specific and rule-based information. This disentangling of knowledge achieves robust future-state prediction in rich visual environments, outperforming state-of-the-art methods using GNNs, and allows for the extrapolation …

Recent Convolutional Neural Networks (CNNs) have achieved significant success by stacking multiple convolutional blocks, named procedures in this paper, to extract semantic features. However, they use the same procedure sequence for all inputs, regardless of the intermediate features.This paper proffers a simple yet effective idea of constructing parallel procedures and assigning similar intermediate features to the same specialized procedures in a divide-and-conquer fashion. It relieves each procedure's learning difficulty and thus leads to superior performance. Specifically, we propose a routing-by-memory mechanism for existing CNN architectures. In each stage of the network, we introduce parallel Procedural Units (PUs). A PU consists of a memory head and a procedure. The memory head maintains a summary of a type of features. For an intermediate feature, we search its closest memory and forward it to the corresponding procedure in both training and testing. In this way, different procedures are tailored to different features and therefore tackle them better.Networks with the proposed mechanism can be trained efficiently using a four-step training strategy. Experimental results show that our method improves VGGNet, ResNet, and EfficientNet's accuracies on Tiny ImageNet, ImageNet, and CIFAR-100 benchmarks with a negligible extra computational cost.

Recent works reveal that feature or label smoothing lies at the core of Graph Neural Networks (GNNs). Concretely, they show feature smoothing combined with simple linear regression achieves comparable performance with the carefully designed GNNs, and a simple MLP model with label smoothing of its prediction can outperform the vanilla GCN. Though an interesting finding, smoothing has not been well understood, especially regarding how to control the extent of smoothness. Intuitively, too small or too large smoothing iterations may cause under-smoothing or over-smoothing and can lead to sub-optimal performance. Moreover, the extent of smoothness is node-specific, depending on its degree and local structure. To this end, we propose a novel algorithm called node-dependent local smoothing (NDLS), which aims to control the smoothness of every node by setting a node-specific smoothing iteration. Specifically, NDLS computes influence scores based on the adjacency matrix and selects the iteration number by setting a threshold on the scores. Once selected, the iteration number can be applied to both feature smoothing and label smoothing. Experimental results demonstrate that NDLS enjoys high accuracy -- state-of-the-art performance on node classifications tasks, flexibility -- can be incorporated with any models, scalability and efficiency -- can support large scale graphs …

Lévy flights describe a special class of random walks whose step sizes satisfy a power-law tailed distribution. As being an efficientsearching strategy in unknown environments, Lévy flights are widely observed in animal foraging behaviors. Recent studies further showed that human cognitive functions also exhibit the characteristics of Lévy flights. Despite being a general phenomenon, the neural mechanism at the circuit level for generating Lévy flights remains unresolved. Here, we investigate how Lévy flights can be achieved in attractor neural networks. To elucidate the underlying mechanism clearly, we first study continuous attractor neural networks (CANNs), and find that noisy neural adaptation, exemplified by spike frequency adaptation (SFA) in this work, can generate Lévy flights representing transitions of the network state in the attractor space. Specifically, the strength of SFA defines a travelling wave boundary, below which the network state displays local Brownian motion, and above which the network state displays long-jump motion. Noises in neural adaptation causes the network state to intermittently switch between these two motion modes, manifesting the characteristics of Lévy flights. We further extend the study to a general attractor neural network, and demonstrate that our model can explain the Lévy-flight phenomenon observed during free memory retrieval of …

The importance of aggregated count data, which is calculated from the data of multiple individuals, continues to increase. Collective Graphical Model (CGM) is a probabilistic approach to the analysis of aggregated data. One of the most important operations in CGM is maximum a posteriori (MAP) inference of unobserved variables under given observations. Because the MAP inference problem for general CGMs has been shown to be NP-hard, an approach that solves an approximate problem has been proposed. However, this approach has two major drawbacks. First, the quality of the solution deteriorates when the values in the count tables are small, because the approximation becomes inaccurate. Second, since continuous relaxation is applied, the integrality constraints of the output are violated. To resolve these problems, this paper proposes a new method for MAP inference for CGMs on path graphs. Our method is based on the Difference of Convex Algorithm (DCA), which is a general methodology to minimize a function represented as the sum of a convex function and a concave function. In our algorithm, important subroutines in DCA can be efficiently calculated by minimum convex cost flow algorithms. Experiments show that the proposed method outputs higher quality solutions than the conventional approach.

We consider online optimization over Riemannian manifolds, where a learner attempts to minimize a sequence of time-varying loss functions defined on Riemannian manifolds. Though many Euclidean online convex optimization algorithms have been proven useful in a wide range of areas, less attention has been paid to their Riemannian counterparts. In this paper, we study Riemannian online gradient descent (R-OGD) on Hadamard manifolds for both geodesically convex and strongly geodesically convex loss functions, and Riemannian bandit algorithm (R-BAN) on Hadamard homogeneous manifolds for geodesically convex functions. We establish upper bounds on the regrets of the problem with respect to time horizon, manifold curvature, and manifold dimension. We also find a universal lower bound for the achievable regret by constructing an online convex optimization problem on Hadamard manifolds. All the obtained regret bounds match the corresponding results are provided in Euclidean spaces. Finally, some numerical experiments validate our theoretical results.

Vision Transformers (ViT) have achieved remarkable success in large-scale image recognition. They split every 2D image into a fixed number of patches, each of which is treated as a token. Generally, representing an image with more tokens would lead to higher prediction accuracy, while it also results in drastically increased computational cost. To achieve a decent trade-off between accuracy and speed, the number of tokens is empirically set to 16x16 or 14x14. In this paper, we argue that every image has its own characteristics, and ideally the token number should be conditioned on each individual input. In fact, we have observed that there exist a considerable number of “easy” images which can be accurately predicted with a mere number of 4x4 tokens, while only a small fraction of “hard” ones need a finer representation. Inspired by this phenomenon, we propose a Dynamic Transformer to automatically configure a proper number of tokens for each input image. This is achieved by cascading multiple Transformers with increasing numbers of tokens, which are sequentially activated in an adaptive fashion at test time, i.e., the inference is terminated once a sufficiently confident prediction is produced. We further design efficient feature reuse and relationship reuse mechanisms …

Behavioral cloning has proven to be effective for learning sequential decision-making policies from expert demonstrations. However, behavioral cloning often suffers from the causal confusion problem where a policy relies on the noticeable effect of expert actions due to the strong correlation but not the cause we desire. This paper presents Object-aware REgularizatiOn (OREO), a simple technique that regularizes an imitation policy in an object-aware manner. Our main idea is to encourage a policy to uniformly attend to all semantic objects, in order to prevent the policy from exploiting nuisance variables strongly correlated with expert actions. To this end, we introduce a two-stage approach: (a) we extract semantic objects from images by utilizing discrete codes from a vector-quantized variational autoencoder, and (b) we randomly drop the units that share the same discrete code together, i.e., masking out semantic objects. Our experiments demonstrate that OREO significantly improves the performance of behavioral cloning, outperforming various other regularization and causality-based methods on a variety of Atari environments and a self-driving CARLA environment. We also show that our method even outperforms inverse reinforcement learning methods trained with a considerable amount of environment interaction.

Recent advances in localized implicit functions have enabled neural implicit representation to be scalable to large scenes.However, the regular subdivision of 3D space employed by these approaches fails to take into account the sparsity of the surface occupancy and the varying granularities of geometric details. As a result, its memory footprint grows cubically with the input volume, leading to a prohibitive computational cost even at a moderately dense decomposition. In this work, we present a learnable hierarchical implicit representation for 3D surfaces, coded OctField, that allows high-precision encoding of intricate surfaces with low memory and computational budget. The key to our approach is an adaptive decomposition of 3D scenes that only distributes local implicit functions around the surface of interest. We achieve this goal by introducing a hierarchical octree structure to adaptively subdivide the 3D space according to the surface occupancy and the richness of part geometry. As octree is discrete and non-differentiable, we further propose a novel hierarchical network that models the subdivision of octree cells as a probabilistic process and recursively encodes and decodes both octree structure and surface geometry in a differentiable manner. We demonstrate the value of OctField for a range of shape modeling and reconstruction …

In offline reinforcement learning (offline RL), one of the main challenges is to deal with the distributional shift between the learning policy and the given dataset. To address this problem, recent offline RL methods attempt to introduce conservatism bias to encourage learning in high-confidence areas. Model-free approaches directly encode such bias into policy or value function learning using conservative regularizations or special network structures, but their constrained policy search limits the generalization beyond the offline dataset. Model-based approaches learn forward dynamics models with conservatism quantifications and then generate imaginary trajectories to extend the offline datasets. However, due to limited samples in offline datasets, conservatism quantifications often suffer from overgeneralization in out-of-support regions. The unreliable conservative measures will mislead forward model-based imaginations to undesired areas, leading to overaggressive behaviors. To encourage more conservatism, we propose a novel model-based offline RL framework, called Reverse Offline Model-based Imagination (ROMI). We learn a reverse dynamics model in conjunction with a novel reverse policy, which can generate rollouts leading to the target goal states within the offline dataset. These reverse imaginations provide informed data augmentation for model-free policy learning and enable conservative generalization beyond the offline dataset. ROMI can effectively combine with off-the-shelf model-free algorithms …

For its advantage in GPU acceleration and less dependency on human experts, machine learning has been an emerging tool for solving the placement and routing problems, as two critical steps in modern chip design flow. Being still in its early stage, there are several fundamental issues unresolved: scalability, reward design, and end-to-end learning paradigm etc. To achieve end-to-end placement learning, we first propose a joint learning method for the placement of macros and standard cells, by the integration of reinforcement learning with a gradient based optimization scheme. To further bridge the placement with the subsequent routing task, we also develop a joint learning approach via reinforcement learning. One key design in our (reinforcement) learning paradigm involves a multi-view embedding model to encode both global graph level and local node level information of the input macros. Moreover, the random network distillation is devised to encourage exploration. Experiments on public chip design benchmarks show that our method can effectively learn from experience and also provide high-quality intermediate placement for the post standard cell placement, within few hours for training.

Neuronal computations depend on synaptic connectivity and intrinsic electrophysiological properties. Synaptic connectivity determines which inputs from presynaptic neurons are integrated, while cellular properties determine how inputs are filtered over time. Unlike their biological counterparts, most computational approaches to learning in simulated neural networks are limited to changes in synaptic connectivity. However, if intrinsic parameters change, neural computations are altered drastically. Here, we include the parameters that determine the intrinsic properties, e.g., time constants and reset potential, into the learning paradigm. Using sparse feedback signals that indicate target spike times, and gradient-based parameter updates, we show that the intrinsic parameters can be learned along with the synaptic weights to produce specific input-output functions. Specifically, we use a teacher-student paradigm in which a randomly initialised leaky integrate-and-fire or resonate-and-fire neuron must recover the parameters of a teacher neuron. We show that complex temporal functions can be learned online and without backpropagation through time, relying on event-based updates only. Our results are a step towards online learning of neural computations from ungraded and unsigned sparse feedback signals with a biologically inspired learning mechanism.

We present a variational method for online state estimation and parameter learning in state-space models (SSMs), a ubiquitous class of latent variable models for sequential data. As per standard batch variational techniques, we use stochastic gradients to simultaneously optimize a lower bound on the log evidence with respect to both model parameters and a variational approximation of the states' posterior distribution. However, unlike existing approaches, our method is able to operate in an entirely online manner, such that historic observations do not require revisitation after being incorporated and the cost of updates at each time step remains constant, despite the growing dimensionality of the joint posterior distribution of the states. This is achieved by utilizing backward decompositions of this joint posterior distribution and of its variational approximation, combined with Bellman-type recursions for the evidence lower bound and its gradients. We demonstrate the performance of this methodology across several examples, including high-dimensional SSMs and sequential Variational Auto-Encoders.

Structured pruning is a commonly used technique in deploying deep neural networks (DNNs) onto resource-constrained devices. However, the existing pruning methods are usually heuristic, task-specified, and require an extra fine-tuning procedure. To overcome these limitations, we propose a framework that compresses DNNs into slimmer architectures with competitive performances and significant FLOPs reductions by Only-Train-Once (OTO). OTO contains two key steps: (i) we partition the parameters of DNNs into zero-invariant groups, enabling us to prune zero groups without affecting the output; and (ii) to promote zero groups, we then formulate a structured-sparsity optimization problem, and propose a novel optimization algorithm, Half-Space Stochastic Projected Gradient (HSPG), to solve it, which outperforms the standard proximal methods on group sparsity exploration, and maintains comparable convergence. To demonstrate the effectiveness of OTO, we train and compress full models simultaneously from scratch without fine-tuning for inference speedup and parameter reduction, and achieve state-of-the-art results on VGG16 for CIFAR10, ResNet50 for CIFAR10 and Bert for SQuAD and competitive result on ResNet50 for ImageNet. The source code is available at https://github.com/tianyic/onlytrainonce.

Understanding when and why interpolating methods generalize well has recently been a topic of interest in statistical learning theory. However, systematically connecting interpolating methods to achievable notions of optimality has only received partial attention. In this paper, we ask the question of what is the optimal way to interpolate in linear regression using functions that are linear in the response variable (as the case for the Bayes optimal estimator in ridge regression) and depend on the data, the population covariance of the data, the signal-to-noise ratio and the covariance of the prior for the signal, but do not depend on the value of the signal itself nor the noise vector in the training data. We provide a closed-form expression for the interpolator that achieves this notion of optimality and show that it can be derived as the limit of preconditioned gradient descent with a specific initialization. We identify a regime where the minimum-norm interpolator provably generalizes arbitrarily worse than the optimal response-linear achievable interpolator that we introduce, and validate with numerical experiments that the notion of optimality we consider can be achieved by interpolating methods that only use the training data as input in the case of an isotropic prior. …

In this paper, we comparatively analyze the Bures-Wasserstein (BW) geometry with the popular Affine-Invariant (AI) geometry for Riemannian optimization on the symmetric positive definite (SPD) matrix manifold. Our study begins with an observation that the BW metric has a linear dependence on SPD matrices in contrast to the quadratic dependence of the AI metric. We build on this to show that the BW metric is a more suitable and robust choice for several Riemannian optimization problems over ill-conditioned SPD matrices. We show that the BW geometry has a non-negative curvature, which further improves convergence rates of algorithms over the non-positively curved AI geometry. Finally, we verify that several popular cost functions, which are known to be geodesic convex under the AI geometry, are also geodesic convex under the BW geometry. Extensive experiments on various applications support our findings.

This paper presents two Bayesian optimization (BO) algorithms with theoretical performance guarantee to maximize the conditional value-at-risk (CVaR) of a black-box function: CV-UCB and CV-TS which are based on the well-established principle of optimism in the face of uncertainty and Thompson sampling, respectively. To achieve this, we develop an upper confidence bound of CVaR and prove the no-regret guarantee of CV-UCB by utilizing an interesting connection between CVaR and value-at-risk (VaR). For CV-TS, though it is straightforwardly performed with Thompson sampling, bounding its Bayesian regret is non-trivial because it requires a tail expectation bound for the distribution of CVaR of a black-box function, which has not been shown in the literature. The performances of both CV-UCB and CV-TS are empirically evaluated in optimizing CVaR of synthetic benchmark functions and simulated real-world optimization problems.

With the advent of real-world quantum computing, the idea that parametrized quantum computations can be used as hypothesis families in a quantum-classical machine learning system is gaining increasing traction. Such hybrid systems have already shown the potential to tackle real-world tasks in supervised and generative learning, and recent works have established their provable advantages in special artificial tasks. Yet, in the case of reinforcement learning, which is arguably most challenging and where learning boosts would be extremely valuable, no proposal has been successful in solving even standard benchmarking tasks, nor in showing a theoretical learning advantage over classical algorithms. In this work, we achieve both. We propose a hybrid quantum-classical reinforcement learning model using very few qubits, which we show can be effectively trained to solve several standard benchmarking environments. Moreover, we demonstrate, and formally prove, the ability of parametrized quantum circuits to solve certain learning tasks that are intractable to classical models, including current state-of-art deep neural networks, under the widely-believed classical hardness of the discrete logarithm problem.

Domain adaptation (DA) attempts to transfer the knowledge from a labeled source domain to an unlabeled target domain that follows different distribution from the source. To achieve this, DA methods include a source classification objective to extract the source knowledge and a domain alignment objective to diminish the domain shift, ensuring knowledge transfer. Typically, former DA methods adopt some weight hyper-parameters to linearly combine the training objectives to form an overall objective. However, the gradient directions of these objectives may conflict with each other due to domain shift. Under such circumstances, the linear optimization scheme might decrease the overall objective value at the expense of damaging one of the training objectives, leading to restricted solutions. In this paper, we rethink the optimization scheme for DA from a gradient-based perspective. We propose a Pareto Domain Adaptation (ParetoDA) approach to control the overall optimization direction, aiming to cooperatively optimize all training objectives. Specifically, to reach a desirable solution on the target domain, we design a surrogate loss mimicking target classification. To improve target-prediction accuracy to support the mimicking, we propose a target-prediction refining mechanism which exploits domain labels via Bayes’ theorem. On the other hand, since prior knowledge of weighting schemes for …

Background. Floods are the most common natural disaster in the world, affecting the lives of hundreds of millions. Flood forecasting is therefore a vitally important endeavor, typically achieved using physical water flow simulations, which rely on accurate terrain elevation maps. However, such simulations, based on solving partial differential equations, are computationally prohibitive on a large scale. This scalability issue is commonly alleviated using a coarse grid representation of the elevation map, though this representation may distort crucial terrain details, leading to significant inaccuracies in the simulation.\Contributions. We train a deep neural network to perform physics-informed downsampling of the terrain map: we optimize the coarse grid representation of the terrain maps, so that the flood prediction will match the fine grid solution. For the learning process to succeed, we configure a dataset specifically for this task. We demonstrate that with this method, it is possible to achieve a significant reduction in computational cost, while maintaining an accurate solution. A reference implementation accompanies the paper as well as documentation and code for dataset reproduction.

Recent works recognized lidars as an inherently streaming data source and showed that the end-to-end latency of lidar perception models can be reduced significantly by operating on wedge-shaped point cloud sectors rather then the full point cloud. However, due to use of cartesian coordinate systems these methods represent the sectors as rectangular regions, wasting memory and compute. In this work we propose using a polar coordinate system and make two key improvements on this design. First, we increase the spatial context by using multi-scale padding from neighboring sectors: preceding sector from the current scan and/or the following sector from the past scan. Second, we improve the core polar convolutional architecture by introducing feature undistortion and range stratified convolutions. Experimental results on the nuScenes dataset show significant improvements over other streaming based methods. We also achieve comparable results to existing non-streaming methods but with lower latencies.

Learning a sequence of tasks without access to i.i.d. observations is a widely studied form of continual learning (CL) that remains challenging. In principle, Bayesian learning directly applies to this setting, since recursive and one-off Bayesian updates yield the same result. In practice, however, recursive updating often leads to poor trade-off solutions across tasks because approximate inference is necessary for most models of interest. Here, we describe an alternative Bayesian approach where task-conditioned parameter distributions are continually inferred from data. We offer a practical deep learning implementation of our framework based on probabilistic task-conditioned hypernetworks, an approach we term posterior meta-replay. Experiments on standard benchmarks show that our probabilistic hypernetworks compress sequences of posterior parameter distributions with virtually no forgetting. We obtain considerable performance gains compared to existing Bayesian CL methods, and identify task inference as our major limiting factor. This limitation has several causes that are independent of the considered sequential setting, opening up new avenues for progress in CL.

Recently, transformer has achieved remarkable performance on a variety of computer vision applications. Compared with mainstream convolutional neural networks, vision transformers are often of sophisticated architectures for extracting powerful feature representations, which are more difficult to be developed on mobile devices. In this paper, we present an effective post-training quantization algorithm for reducing the memory storage and computational costs of vision transformers. Basically, the quantization task can be regarded as finding the optimal low-bit quantization intervals for weights and inputs, respectively. To preserve the functionality of the attention mechanism, we introduce a ranking loss into the conventional quantization objective that aims to keep the relative order of the self-attention results after quantization. Moreover, we thoroughly analyze the relationship between quantization loss of different layers and the feature diversity, and explore a mixed-precision quantization scheme by exploiting the nuclear norm of each attention map and output feature. The effectiveness of the proposed method is verified on several benchmark models and datasets, which outperforms the state-of-the-art post-training quantization algorithms. For instance, we can obtain an 81.29% top-1 accuracy using DeiT-B model on ImageNet dataset with about 8-bit quantization. Code will be available at https://gitee.com/mindspore/models/tree/master/research/cv/VT-PTQ.

Predicting stable 3D conformations from 2D molecular graphs has been a long-standing challenge in computational chemistry. Recently, machine learning approaches have demonstrated very promising results compared to traditional experimental and physics-based simulation methods. These approaches mainly focus on modeling the local interactions between neighboring atoms on the molecular graphs and overlook the long-range interactions between non-bonded atoms. However, these non-bonded atoms may be proximal to each other in 3D space, and modeling their interactions is of crucial importance to accurately determine molecular conformations, especially for large molecules and multi-molecular complexes. In this paper, we propose a new approach called Dynamic Graph Score Matching (DGSM) for molecular conformation prediction, which models both the local and long-range interactions by dynamically constructing graph structures between atoms according to their spatial proximity during both training and inference. Specifically, the DGSM directly estimates the gradient fields of the logarithm density of atomic coordinates according to the dynamically constructed graphs using score matching methods. The whole framework can be efficiently trained in an end-to-end fashion. Experiments across multiple tasks show that the DGSM outperforms state-of-the-art baselines by a large margin, and it is capable of generating conformations for a broader range of systems such as proteins …

Reweighting adversarial data during training has been recently shown to improve adversarial robustness, where data closer to the current decision boundaries are regarded as more critical and given larger weights. However, existing methods measuring the closeness are not very reliable: they are discrete and can take only a few values, and they are path-dependent, i.e., they may change given the same start and end points with different attack paths. In this paper, we propose three types of probabilistic margin (PM), which are continuous and path-independent, for measuring the aforementioned closeness and reweighing adversarial data. Specifically, a PM is defined as the difference between two estimated class-posterior probabilities, e.g., such a probability of the true label minus the probability of the most confusing label given some natural data. Though different PMs capture different geometric properties, all three PMs share a negative correlation with the vulnerability of data: data with larger/smaller PMs are safer/riskier and should have smaller/larger weights. Experiments demonstrated that PMs are reliable and PM-based reweighting methods outperformed state-of-the-art counterparts.

Multiple object tracking and segmentation requires detecting, tracking, and segmenting objects belonging to a set of given classes. Most approaches only exploit the temporal dimension to address the association problem, while relying on single frame predictions for the segmentation mask itself. We propose Prototypical Cross-Attention Network (PCAN), capable of leveraging rich spatio-temporal information for online multiple object tracking and segmentation. PCAN first distills a space-time memory into a set of prototypes and then employs cross-attention to retrieve rich information from the past frames. To segment each object, PCAN adopts a prototypical appearance module to learn a set of contrastive foreground and background prototypes, which are then propagated over time. Extensive experiments demonstrate that PCAN outperforms current video instance tracking and segmentation competition winners on both Youtube-VIS and BDD100K datasets, and shows efficacy to both one-stage and two-stage segmentation frameworks. Code and video resources are available at http://vis.xyz/pub/pcan.

Recent works in self-supervised learning have advanced the state-of-the-art by relying on the contrastive learning paradigm, which learns representations by pushing positive pairs, or similar examples from the same class, closer together while keeping negative pairs far apart. Despite the empirical successes, theoretical foundations are limited -- prior analyses assume conditional independence of the positive pairs given the same class label, but recent empirical applications use heavily correlated positive pairs (i.e., data augmentations of the same image). Our work analyzes contrastive learning without assuming conditional independence of positive pairs using a novel concept of the augmentation graph on data. Edges in this graph connect augmentations of the same data, and ground-truth classes naturally form connected sub-graphs. We propose a loss that performs spectral decomposition on the population augmentation graph and can be succinctly written as a contrastive learning objective on neural net representations. Minimizing this objective leads to features with provable accuracy guarantees under linear probe evaluation. By standard generalization bounds, these accuracy guarantees also hold when minimizing the training contrastive loss. In all, this work provides the first provable analysis for contrastive learning where the guarantees can apply to realistic empirical settings.

Due to the broad range of applications of reinforcement learning (RL), understanding the effects of adversarial attacks against RL model is essential for the safe applications of this model. Prior theoretical works on adversarial attacks against RL mainly focus on either reward poisoning attacks or environment poisoning attacks. In this paper, we introduce a new class of attacks named action poisoning attacks, where an adversary can change the action signal selected by the agent. Compared with existing attack models, the attacker’s ability in the proposed action poisoning attack model is more restricted, which brings some design challenges. We study the action poisoning attack in both white-box and black-box settings. We introduce an adaptive attack scheme called LCB-H, which works for most RL agents in the black-box setting. We prove that LCB-H attack can force any efficient RL agent, whose dynamic regret scales sublinearly with the total number of steps taken, to choose actions according to a policy selected by the attacker very frequently, with only sublinear cost. In addition, we apply LCB-H attack against a very popular model-free RL algorithm: UCB-H. We show that, even in black-box setting, by spending only logarithm cost, the proposed LCB-H attack scheme can force …

In this paper, we consider a different data format for images: vector graphics. In contrast to raster graphics which are widely used in image recognition, vector graphics can be scaled up or down into any resolution without aliasing or information loss, due to the analytic representation of the primitives in the document. Furthermore, vector graphics are able to give extra structural information on how low-level elements group together to form high level shapes or structures. These merits of graphic vectors have not been fully leveraged in existing methods. To explore this data format, we target on the fundamental recognition tasks: object localization and classification. We propose an efficient CNN-free pipeline that does not render the graphic into pixels (i.e. rasterization), and takes textual document of the vector graphics as input, called YOLaT (You Only Look at Text). YOLaT builds multi-graphs to model the structural and spatial information in vector graphics, and a dual-stream graph neural network is proposed to detect objects from the graph. Our experiments show that by directly operating on vector graphics, YOLaT outperforms raster-graphic based object detection baselines in terms of both average precision and efficiency. Code is available at https://github.com/microsoft/YOLaT-VectorGraphicsRecognition.

In facial expression recognition (FER), the uncertainties introduced by inherent noises like ambiguous facial expressions and inconsistent labels raise concerns about the credibility of recognition results. To quantify these uncertainties and achieve good performance under noisy data, we regard uncertainty as a relative concept and propose an innovative uncertainty learning method called Relative Uncertainty Learning (RUL). Rather than assuming Gaussian uncertainty distributions for all datasets, RUL builds an extra branch to learn uncertainty from the relative difficulty of samples by feature mixup. Specifically, we use uncertainties as weights to mix facial features and design an add-up loss to encourage uncertainty learning. It is easy to implement and adds little or no extra computation overhead. Extensive experiments show that RUL outperforms state-of-the-art FER uncertainty learning methods in both real-world and synthetic noisy FER datasets. Besides, RUL also works well on other datasets such as CIFAR and Tiny ImageNet. The code is available at https://github.com/zyh-uaiaaaa/Relative-Uncertainty-Learning.

In decentralized machine learning, workers compute model updates on their local data.Because the workers only communicate with few neighbors without central coordination, these updates propagate progressively over the network.This paradigm enables distributed training on networks without all-to-all connectivity, helping to protect data privacy as well as to reduce the communication cost of distributed training in data centers.A key challenge, primarily in decentralized deep learning, remains the handling of differences between the workers' local data distributions.To tackle this challenge, we introduce the RelaySum mechanism for information propagation in decentralized learning.RelaySum uses spanning trees to distribute information exactly uniformly across all workers with finite delays depending on the distance between nodes.In contrast, the typical gossip averaging mechanism only distributes data uniformly asymptotically while using the same communication volume per step as RelaySum.We prove that RelaySGD, based on this mechanism, is independent of data heterogeneity and scales to many workers, enabling highly accurate decentralized deep learning on heterogeneous data.

Estimating Kullback–Leibler (KL) divergence from samples of two distributions is essential in many machine learning problems. Variational methods using neural network discriminator have been proposed to achieve this task in a scalable manner. However, we noticed that most of these methods using neural network discriminators suffer from high fluctuations (variance) in estimates and instability in training. In this paper, we look at this issue from statistical learning theory and function space complexity perspective to understand why this happens and how to solve it. We argue that the cause of these pathologies is lack of control over the complexity of the neural network discriminator function and could be mitigated by controlling it. To achieve this objective, we 1) present a novel construction of the discriminator in the Reproducing Kernel Hilbert Space (RKHS), 2) theoretically relate the error probability bound of the KL estimates to the complexity of the discriminator in the RKHS space, 3) present a scalable way to control the complexity (RKHS norm) of the discriminator for a reliable estimation of KL divergence, and 4) prove the consistency of the proposed estimator. In three different applications of KL divergence -- estimation of KL, estimation of mutual information and Variational Bayes …

Studies on self-supervised visual representation learning (SSL) improve encoder backbones to discriminate training samples without labels. While CNN encoders via SSL achieve comparable recognition performance to those via supervised learning, their network attention is under-explored for further improvement. Motivated by the transformers that explore visual attention effectively in recognition scenarios, we propose a CNN Attention REvitalization (CARE) framework to train attentive CNN encoders guided by transformers in SSL. The proposed CARE framework consists of a CNN stream (C-stream) and a transformer stream (T-stream), where each stream contains two branches. C-stream follows an existing SSL framework with two CNN encoders, two projectors, and a predictor. T-stream contains two transformers, two projectors, and a predictor. T-stream connects to CNN encoders and is in parallel to the remaining C-Stream. During training, we perform SSL in both streams simultaneously and use the T-stream output to supervise C-stream. The features from CNN encoders are modulated in T-stream for visual attention enhancement and become suitable for the SSL scenario. We use these modulated features to supervise C-stream for learning attentive CNN encoders. To this end, we revitalize CNN attention by using transformers as guidance. Experiments on several standard visual recognition benchmarks, including image classification, object detection, …

Message passing is the core of most graph models such as Graph Convolutional Network (GCN) and Label Propagation (LP), which usually require a large number of clean labeled data to smooth out the neighborhood over the graph. However, the labeling process can be tedious, costly, and error-prone in practice. In this paper, we propose to unify active learning (AL) and message passing towards minimizing labeling costs, e.g., making use of few and unreliable labels that can be obtained cheaply. We make two contributions towards that end. First, we open up a perspective by drawing a connection between AL enforcing message passing and social influence maximization, ensuring that the selected samples effectively improve the model performance. Second, we propose an extension to the influence model that incorporates an explicit quality factor to model label noise. In this way, we derive a fundamentally new AL selection criterion for GCN and LP--reliable influence maximization (RIM)--by considering quantity and quality of influence simultaneously. Empirical studies on public datasets show that RIM significantly outperforms current AL methods in terms of accuracy and efficiency.

Multi-person pose estimation in crowded scenes is challenging because overlapping and occlusions make it difficult to detect person bounding boxes and infer pose cues from individual keypoints. To address those issues, this paper proposes a direct pose-level inference strategy that is free of bounding box detection and keypoint grouping. Instead of inferring individual keypoints, the Pose-level Inference Network (PINet) directly infers the complete pose cues for a person from his/her visible body parts. PINet first applies the Part-based Pose Generation (PPG) to infer multiple coarse poses for each person from his/her body parts. Those coarse poses are refined by the Pose Refinement module through incorporating pose priors, and finally are fused in the Pose Fusion module. PINet relies on discriminative body parts to differentiate overlapped persons, and applies visual body cues to infer the global pose cues. Experiments on several crowded scenes pose estimation benchmarks demonstrate the superiority of PINet. For instance, it achieves 59.8% AP on the OCHuman dataset, outperforming the recent works by a large margin.

Safe reinforcement learning is a promising path toward applying reinforcement learning algorithms to real-world problems, where suboptimal behaviors may lead to actual negative consequences. In this work, we focus on the setting where unsafe states can be avoided by planning ahead a short time into the future. In this setting, a model-based agent with a sufficiently accurate model can avoid unsafe states.We devise a model-based algorithm that heavily penalizes unsafe trajectories, and derive guarantees that our algorithm can avoid unsafe states under certain assumptions. Experiments demonstrate that our algorithm can achieve competitive rewards with fewer safety violations in several continuous control tasks.

In this paper we consider the training stability of recurrent neural networks (RNNs) and propose a family of RNNs, namely SBO-RNN, that can be formulated using stochastic bilevel optimization (SBO). With the help of stochastic gradient descent (SGD), we manage to convert the SBO problem into an RNN where the feedforward and backpropagation solve the lower and upper-level optimization for learning hidden states and their hyperparameters, respectively. We prove that under mild conditions there is no vanishing or exploding gradient in training SBO-RNN. Empirically we demonstrate our approach with superior performance on several benchmark datasets, with fewer parameters, less training data, and much faster convergence. Code is available at https://zhang-vislab.github.io.

Loss functions play an important role in training deep-network-based object detectors. The most widely used evaluation metric for object detection is Average Precision (AP), which captures the performance of localization and classification sub-tasks simultaneously. However, due to the non-differentiable nature of the AP metric, traditional object detectors adopt separate differentiable losses for the two sub-tasks. Such a mis-alignment issue may well lead to performance degradation. To address this, existing works seek to design surrogate losses for the AP metric manually, which requires expertise and may still be sub-optimal. In this paper, we propose Parameterized AP Loss, where parameterized functions are introduced to substitute the non-differentiable components in the AP calculation. Different AP approximations are thus represented by a family of parameterized functions in a unified formula. Automatic parameter search algorithm is then employed to search for the optimal parameters. Extensive experiments on the COCO benchmark with three different object detectors (i.e., RetinaNet, Faster R-CNN, and Deformable DETR) demonstrate that the proposed Parameterized AP Loss consistently outperforms existing handcrafted losses. Code shall be released.

While standard recurrent neural networks explicitly impose a chain structure on different forms of data, they do not have an explicit bias towards recursive self-instantiation where the extent of recursion is dynamic. Given diverse and even growing data modalities (e.g., logic, algorithmic input and output, music, code, images, and language) that can be expressed in sequences and may benefit from more architectural flexibility, we propose the self-instantiated recurrent unit (Self-IRU) with a novel inductive bias towards dynamic soft recursion. On one hand, theSelf-IRU is characterized by recursive self-instantiation via its gating functions, i.e., gating mechanisms of the Self-IRU are controlled by instances of the Self-IRU itself, which are repeatedly invoked in a recursive fashion. On the other hand, the extent of the Self-IRU recursion is controlled by gates whose values are between 0 and 1 and may vary across the temporal dimension of sequences, enabling dynamic soft recursion depth at each time step. The architectural flexibility and effectiveness of our proposed approach are demonstrated across multiple data modalities. For example, the Self-IRU achieves state-of-the-art performance on the logical inference dataset [Bowman et al., 2014] even when comparing with competitive models that have access to ground-truth syntactic information.

Recently, transformation-based self-supervised learning has been applied to generative adversarial networks (GANs) to mitigate catastrophic forgetting in the discriminator by introducing a stationary learning environment. However, the separate self-supervised tasks in existing self-supervised GANs cause a goal inconsistent with generative modeling due to the fact that their self-supervised classifiers are agnostic to the generator distribution. To address this problem, we propose a novel self-supervised GAN that unifies the GAN task with the self-supervised task by augmenting the GAN labels (real or fake) via self-supervision of data transformation. Specifically, the original discriminator and self-supervised classifier are unified into a label-augmented discriminator that predicts the augmented labels to be aware of both the generator distribution and the data distribution under every transformation, and then provide the discrepancy between them to optimize the generator. Theoretically, we prove that the optimal generator could converge to replicate the real data distribution. Empirically, we show that the proposed method significantly outperforms previous self-supervised and data augmentation GANs on both generative modeling and representation learning across benchmark datasets.

Set prediction tasks require the matching between predicted set and ground truth set in order to propagate the gradient signal. Recent works have performed this matching in the original feature space thus requiring predefined distance functions. We propose a method for learning the distance function by performing the matching in the latent space learned from encoding networks. This method enables the use of teacher forcing which was not possible previously since matching in the feature space must be computed after the entire output sequence is generated. Nonetheless, a naive implementation of latent set prediction might not converge due to permutation instability. To address this problem, we provide sufficient conditions for permutation stability which begets an algorithm to improve the overall model convergence. Experiments on several set prediction tasks, including image captioning and object detection, demonstrate the effectiveness of our method.

Iteratively reweighted least square (IRLS) is a popular approach to solve sparsity-enforcing regression problems in machine learning. State of the art approaches are more efficient but typically rely on specific coordinate pruning schemes. In this work, we show how a surprisingly simple re-parametrization of IRLS, coupled with a bilevel resolution (instead of an alternating scheme) is able to achieve top performances on a wide range of sparsity (such as Lasso, group Lasso and trace norm regularizations), regularization strength (including hard constraints), and design matrices (ranging from correlated designs to differential operators). Similarly to IRLS, our method only involves linear systems resolutions, but in sharp contrast, corresponds to the minimization of a smooth function. Despite being non-convex, we show that there is no spurious minima and that saddle points are "ridable'', so that there always exists a descent direction. We thus advocate for the use of a BFGS quasi-Newton solver, which makes our approach simple, robust and efficient. We perform a numerical benchmark of the convergence speed of our algorithm against state of the art solvers for Lasso, group Lasso, trace norm and linearly constrained problems. These results highlight the versatility of our approach, removing the need to use different solvers …

The in-memory algorithms for approximate nearest neighbor search (ANNS) have achieved great success for fast high-recall search, but are extremely expensive when handling very large scale database. Thus, there is an increasing request for the hybrid ANNS solutions with small memory and inexpensive solid-state drive (SSD). In this paper, we present a simple but efficient memory-disk hybrid indexing and search system, named SPANN, that follows the inverted index methodology. It stores the centroid points of the posting lists in the memory and the large posting lists in the disk. We guarantee both disk-access efficiency (low latency) and high recall by effectively reducing the disk-access number and retrieving high-quality posting lists. In the index-building stage, we adopt a hierarchical balanced clustering algorithm to balance the length of posting lists and augment the posting list by adding the points in the closure of the corresponding clusters. In the search stage, we use a query-aware scheme to dynamically prune the access of unnecessary posting lists. Experiment results demonstrate that SPANN is 2X faster than the state-of-the-art ANNS solution DiskANN to reach the same recall quality 90% with same memory cost in three billion-scale datasets. It can reach 90% recall@1 and recall@10 in just …

We address the non-convex optimisation problem of finding a sparse matrix on the Stiefel manifold (matrices with mutually orthogonal columns of unit length) that maximises (or minimises) a quadratic objective function. Optimisation problems on the Stiefel manifold occur for example in spectral relaxations of various combinatorial problems, such as graph matching, clustering, or permutation synchronisation. Although sparsity is a desirable property in such settings, it is mostly neglected in spectral formulations since existing solvers, e.g. based on eigenvalue decomposition, are unable to account for sparsity while at the same time maintaining global optimality guarantees. We fill this gap and propose a simple yet effective sparsity-promoting modification of the Orthogonal Iteration algorithm for finding the dominant eigenspace of a matrix. By doing so, we can guarantee that our method finds a Stiefel matrix that is globally optimal with respect to the quadratic objective function, while in addition being sparse. As a motivating application we consider the task of permutation synchronisation, which can be understood as a constrained clustering problem that has particular relevance for matching multiple images or 3D shapes in computer vision, computer graphics, and beyond. We demonstrate that the proposed approach outperforms previous methods in this domain.

As a basic component of SE(3)-equivariant deep feature learning, steerable convolution has recently demonstrated its advantages for 3D semantic analysis. The advantages are, however, brought by expensive computations on dense, volumetric data, which prevent its practical use for efficient processing of 3D data that are inherently sparse. In this paper, we propose a novel design of Sparse Steerable Convolution (SS-Conv) to address the shortcoming; SS-Conv greatly accelerates steerable convolution with sparse tensors, while strictly preserving the property of SE(3)-equivariance. Based on SS-Conv, we propose a general pipeline for precise estimation of object poses, wherein a key design is a Feature-Steering module that takes the full advantage of SE(3)-equivariance and is able to conduct an efficient pose refinement. To verify our designs, we conduct thorough experiments on three tasks of 3D object semantic analysis, including instance-level 6D pose estimation, category-level 6D pose and size estimation, and category-level 6D pose tracking. Our proposed pipeline based on SS-Conv outperforms existing methods on almost all the metrics evaluated by the three tasks. Ablation studies also show the superiority of our SS-Conv over alternative convolutions in terms of both accuracy and efficiency. Our code is released publicly at https://github.com/Gorilla-Lab-SCUT/SS-Conv.

Deep neural networks (DNNs) are well-known to be vulnerable to adversarial attacks, where malicious human-imperceptible perturbations are included in the input to the deep network to fool it into making a wrong classification. Recent studies have demonstrated that neural Ordinary Differential Equations (ODEs) are intrinsically more robust against adversarial attacks compared to vanilla DNNs. In this work, we propose a neural ODE with Lyapunov-stable equilibrium points for defending against adversarial attacks (SODEF). By ensuring that the equilibrium points of the ODE solution used as part of SODEF are Lyapunov-stable, the ODE solution for an input with a small perturbation converges to the same solution as the unperturbed input. We provide theoretical results that give insights into the stability of SODEF as well as the choice of regularizers to ensure its stability. Our analysis suggests that our proposed regularizers force the extracted feature points to be within a neighborhood of the Lyapunov-stable equilibrium points of the SODEF ODE. SODEF is compatible with many defense methods and can be applied to any neural network's final regressor layer to enhance its stability against adversarial attacks.

Existing semi-supervised learning (SSL) studies typically assume that unlabeled and test data are drawn from the same distribution as labeled data. However, in many real-world applications, it is desirable to have SSL algorithms that not only classify the samples drawn from the same distribution of labeled data but also detect out-of-distribution (OOD) samples drawn from an unknown distribution. In this paper, we study a setting called semi-supervised OOD detection. Two main challenges compared with previous OOD detection settings are i) the lack of labeled data and in-distribution data; ii) OOD samples could be unseen during training. Efforts on this direction remain limited. In this paper, we present an approach STEP significantly improving OOD detection performance by introducing a new technique: Structure-Keep Unzipping. It learns a new representation space in which OOD samples could be separated well. An efficient optimization algorithm is derived to solve the objective. Comprehensive experiments across various OOD detection benchmarks clearly show that our STEP approach outperforms other methods by a large margin and achieves remarkable detection performance on several benchmarks.

Approximate inference in Bayesian deep networks exhibits a dilemma of how to yield high fidelity posterior approximations while maintaining computational efficiency and scalability. We tackle this challenge by introducing a novel variational structured approximation inspired by the Bayesian interpretation of Dropout regularization. Concretely, we focus on the inflexibility of the factorized structure in Dropout posterior and then propose an improved method called Variational Structured Dropout (VSD). VSD employs an orthogonal transformation to learn a structured representation on the variational Gaussian noise with plausible complexity, and consequently induces statistical dependencies in the approximate posterior. Theoretically, VSD successfully addresses the pathologies of previous Variational Dropout methods and thus offers a standard Bayesian justification. We further show that VSD induces an adaptive regularization term with several desirable properties which contribute to better generalization. Finally, we conduct extensive experiments on standard benchmarks to demonstrate the effectiveness of VSD over state-of-the-art variational methods on predictive accuracy, uncertainty estimation, and out-of-distribution detection.

We propose a novel approach to interactive theorem-proving (ITP) using deep reinforcement learning. The proposed framework is able to learn proof search strategies as well as tactic and arguments prediction in an end-to-end manner. We formulate the process of ITP as a Markov decision process (MDP) in which each state represents a set of potential derivation paths. This structure allows us to introduce a novel backtracking mechanism which enables the agent to efficiently discard (predicted) dead-end derivations and restart the derivation from promising alternatives. We implement the framework in the HOL theorem prover. Experimental results show that the framework using learned search strategies outperforms existing automated theorem provers (i.e., hammers) available in HOL when evaluated on unseen problems. We further elaborate the role of key components of the framework using ablation studies.

The class imbalance problem, as an important issue in learning node representations, has drawn increasing attention from the community. Although the imbalance considered by existing studies roots from the unequal quantity of labeled examples in different classes (quantity imbalance), we argue that graph data expose a unique source of imbalance from the asymmetric topological properties of the labeled nodes, i.e., labeled nodes are not equal in terms of their structural role in the graph (topology imbalance). In this work, we first probe the previously unknown topology-imbalance issue, including its characteristics, causes, and threats to semisupervised node classification learning. We then provide a unified view to jointly analyzing the quantity- and topology- imbalance issues by considering the node influence shift phenomenon with the Label Propagation algorithm. In light of our analysis, we devise an influence conflict detection–based metric Totoro to measure the degree of graph topology imbalance and propose a model-agnostic method ReNode to address the topology-imbalance issue by re-weighting the influence of labeled nodes adaptively based on their relative positions to class boundaries. Systematic experiments demonstrate the effectiveness and generalizability of our method in relieving topology-imbalance issue and promoting semi-supervised node classification. The further analysis unveils varied sensitivity of different …

Adder neural network (AdderNet) replaces the original convolutions with massive multiplications by cheap additions while achieving comparable performance thus yields a series of energy-efficient neural networks. Compared with convolutional neural networks (CNNs), the training of AdderNets is much more sophisticated including several techniques for adjusting gradient and batch normalization. In addition, variances of both weights and activations in resulting adder networks are very enormous which limits its performance and the potential for applying to other tasks. To enhance the stability and robustness of AdderNets, we first thoroughly analyze the variance estimation of weight parameters and output features of an arbitrary adder layer. Then, we develop a weight normalization scheme for adaptively optimizing the weight distribution of AdderNets during the training procedure, which can reduce the perturbation on running mean and variance in batch normalization layers. Meanwhile, the proposed weight normalization can also be utilized to enhance the adversarial robustness of resulting networks. Experiments conducted on several benchmarks demonstrate the superiority of the proposed approach for generating AdderNets with higher performance.

Value factorization is a popular and promising approach to scaling up multi-agent reinforcement learning in cooperative settings, which balances the learning scalability and the representational capacity of value functions. However, the theoretical understanding of such methods is limited. In this paper, we formalize a multi-agent fitted Q-iteration framework for analyzing factorized multi-agent Q-learning. Based on this framework, we investigate linear value factorization and reveal that multi-agent Q-learning with this simple decomposition implicitly realizes a powerful counterfactual credit assignment, but may not converge in some settings. Through further analysis, we find that on-policy training or richer joint value function classes can improve its local or global convergence properties, respectively. Finally, to support our theoretical implications in practical realization, we conduct an empirical analysis of state-of-the-art deep multi-agent Q-learning algorithms on didactic examples and a broad set of StarCraft II unit micromanagement tasks.

We present a novel approach for tracking multiple people in video. Unlike past approaches which employ 2D representations, we focus on using 3D representations of people, located in three-dimensional space. To this end, we develop a method, Human Mesh and Appearance Recovery (HMAR) which in addition to extracting the 3D geometry of the person as a SMPL mesh, also extracts appearance as a texture map on the triangles of the mesh. This serves as a 3D representation for appearance that is robust to viewpoint and pose changes. Given a video clip, we first detect bounding boxes corresponding to people, and for each one, we extract 3D appearance, pose, and location information using HMAR. These embedding vectors are then sent to a transformer, which performs spatio-temporal aggregation of the representations over the duration of the sequence. The similarity of the resulting representations is used to solve for associations that assigns each person to a tracklet. We evaluate our approach on the Posetrack, MuPoTs and AVA datasets. We find that 3D representations are more effective than 2D representations for tracking in these settings, and we obtain state-of-the-art performance. Code and results are available at: https://brjathu.github.io/T3DP.

Despite a series of recent successes in reinforcement learning (RL), many RL algorithms remain sensitive to hyperparameters. As such, there has recently been interest in the field of AutoRL, which seeks to automate design decisions to create more general algorithms. Recent work suggests that population based approaches may be effective AutoRL algorithms, by learning hyperparameter schedules on the fly. In particular, the PB2 algorithm is able to achieve strong performance in RL tasks by formulating online hyperparameter optimization as time varying GP-bandit problem, while also providing theoretical guarantees. However, PB2 is only designed to work for \emph{continuous} hyperparameters, which severely limits its utility in practice. In this paper we introduce a new (provably) efficient hierarchical approach for optimizing \emph{both continuous and categorical} variables, using a new time-varying bandit algorithm specifically designed for the population based training regime. We evaluate our approach on the challenging Procgen benchmark, where we show that explicitly modelling dependence between data augmentation and other hyperparameters improves generalization.

Distributional reinforcement learning (RL) – in which agents learn about all the possible long-term consequences of their actions, and not just the expected value – is of great recent interest. One of the most important affordances of a distributional view is facilitating a modern, measured, approach to risk when outcomes are not completely certain. By contrast, psychological and neuroscientific investigations into decision making under risk have utilized a variety of more venerable theoretical models such as prospect theory that lack axiomatically desirable properties such as coherence. Here, we consider a particularly relevant risk measure for modeling human and animal planning, called conditional value-at-risk (CVaR), which quantifies worst-case outcomes (e.g., vehicle accidents or predation). We first adopt a conventional distributional approach to CVaR in a sequential setting and reanalyze the choices of human decision-makers in the well-known two-step task, revealing substantial risk aversion that had been lurking under stickiness and perseveration. We then consider a further critical property of risk sensitivity, namely time consistency, showing alternatives to this form of CVaR that enjoy this desirable characteristic. We use simulations to examine settings in which the various forms differ in ways that have implications for human and animal planning and behavior.

Conditional image synthesis aims to create an image according to some multi-modal guidance in the forms of textual descriptions, reference images, and image blocks to preserve, as well as their combinations. In this paper, instead of investigating these control signals separately, we propose a new two-stage architecture, UFC-BERT, to unify any number of multi-modal controls. In UFC-BERT, both the diverse control signals and the synthesized image are uniformly represented as a sequence of discrete tokens to be processed by Transformer. Different from existing two-stage autoregressive approaches such as DALL-E and VQGAN, UFC-BERT adopts non-autoregressive generation (NAR) at the second stage to enhance the holistic consistency of the synthesized image, to support preserving specified image blocks, and to improve the synthesis speed. Further, we design a progressive algorithm that iteratively improves the non-autoregressively generated image, with the help of two estimators developed for evaluating the compliance with the controls and evaluating the fidelity of the synthesized image, respectively. Extensive experiments on a newly collected large-scale clothing dataset M2C-Fashion and a facial dataset Multi-Modal CelebA-HQ verify that UFC-BERT can synthesize high-fidelity images that comply with flexible multi-modal controls.

This paper addresses the problem of Unbalanced Optimal Transport (UOT) in which the marginal conditions are relaxed (using weighted penalties in lieu of equality) and no additional regularization is enforced on the OT plan. In this context, we show that the corresponding optimization problem can be reformulated as a non-negative penalized linear regression problem. This reformulation allows us to propose novel algorithms inspired from inverse problems and nonnegative matrix factorization. In particular, we consider majorization-minimization which leads in our setting to efficient multiplicative updates for a variety of penalties. Furthermore, we derive for the first time an efficient algorithm to compute the regularization path of UOT with quadratic penalties. The proposed algorithm provides a continuity of piece-wise linear OT plans converging to the solution of balanced OT (corresponding to infinite penalty weights). We perform several numerical experiments on simulated and real data illustrating the new algorithms, and provide a detailed discussion about more sophisticated optimization tools that can further be used to solve OT problems thanks to our reformulation.

Deep learning provides a new avenue for image restoration, which demands a delicate balance between fine-grained details and high-level contextualized information during recovering the latent clear image. In practice, however, existing methods empirically construct encapsulated end-to-end mapping networks without deepening into the rationality, and neglect the intrinsic prior knowledge of restoration task. To solve the above problems, inspired by Taylor’s Approximations, we unfold Taylor’s Formula to construct a novel framework for image restoration. We find the main part and the derivative part of Taylor’s Approximations take the same effect as the two competing goals of high-level contextualized information and spatial details of image restoration respectively. Specifically, our framework consists of two steps, which are correspondingly responsible for the mapping and derivative functions. The former first learns the high-level contextualized information and the later combines it with the degraded input to progressively recover local high-order spatial details. Our proposed framework is orthogonal to existing methods and thus can be easily integrated with them for further improvement, and extensive experiments demonstrate the effectiveness and scalability of our proposed framework.

Universal Semi-Supervised Learning (UniSSL) aims to solve the open-set problem where both the class distribution (i.e., class set) and feature distribution (i.e., feature domain) are different between labeled dataset and unlabeled dataset. Such a problem seriously hinders the realistic landing of classical SSL. Different from the existing SSL methods targeting at the open-set problem that only study one certain scenario of class distribution mismatch and ignore the feature distribution mismatch, we consider a more general case where a mismatch exists in both class and feature distribution. In this case, we propose a ''Class-shAring data detection and Feature Adaptation'' (CAFA) framework which requires no prior knowledge of the class relationship between the labeled dataset and unlabeled dataset. Particularly, CAFA utilizes a novel scoring strategy to detect the data in the shared class set. Then, it conducts domain adaptation to fully exploit the value of the detected class-sharing data for better semi-supervised consistency training. Exhaustive experiments on several benchmark datasets show the effectiveness of our method in tackling open-set problems.

Contrastive self-supervised learning (CSL) has attracted increasing attention for model pre-training via unlabeled data. The resulted CSL models provide instance-discriminative visual features that are uniformly scattered in the feature space. During deployment, the common practice is to directly fine-tune CSL models with cross-entropy, which however may not be the best strategy in practice. Although cross-entropy tends to separate inter-class features, the resulting models still have limited capability for reducing intra-class feature scattering that exists in CSL models. In this paper, we investigate whether applying contrastive learning to fine-tuning would bring further benefits, and analytically find that optimizing the contrastive loss benefits both discriminative representation learning and model optimization during fine-tuning. Inspired by these findings, we propose Contrast-regularized tuning (Core-tuning), a new approach for fine-tuning CSL models. Instead of simply adding the contrastive loss to the objective of fine-tuning, Core-tuning further applies a novel hard pair mining strategy for more effective contrastive fine-tuning, as well as smoothing the decision boundary to better exploit the learned discriminative feature space. Extensive experiments on image classification and semantic segmentation verify the effectiveness of Core-tuning.

A current remarkable improvement of unsupervised visual representation learning is based on heavy networks with large-batch training. While recent methods have greatly reduced the gap between supervised and unsupervised performance of deep models such as ResNet-50, this development has been relatively limited for small models. In this work, we propose a novel unsupervised learning framework for small networks that combines deep self-supervised representation learning and knowledge distillation within one-phase training. In particular, a teacher model is trained to produce consistent cluster assignments between different views of the same image. Simultaneously, a student model is encouraged to mimic the prediction of on-the-fly self-supervised teacher. For effective knowledge transfer, we adopt the idea of domain classifier so that student training is guided by discriminative features invariant to the representational space shift between teacher and student. We also introduce a network driven multi-view generation paradigm to capture rich feature information contained in the network itself. Extensive experiments show that our student models surpass state-of-the-art offline distilled networks even from stronger self-supervised teachers as well as top-performing self-supervised models. Notably, our ResNet-18, trained with ResNet-50 teacher, achieves 68.3% ImageNet Top-1 accuracy on frozen feature linear evaluation, which is only 1.5% below the supervised baseline.

Switching dynamical systems provide a powerful, interpretable modeling framework for inference in time-series data in, e.g., the natural sciences or engineering applications. Since many areas, such as biology or discrete-event systems, are naturally described in continuous time, we present a model based on a Markov jump process modulating a subordinated diffusion process. We provide the exact evolution equations for the prior and posterior marginal densities, the direct solutions of which are however computationally intractable. Therefore, we develop a new continuous-time variational inference algorithm, combining a Gaussian process approximation on the diffusion level with posterior inference for Markov jump processes. By minimizing the path-wise Kullback-Leibler divergence we obtain (i) Bayesian latent state estimates for arbitrary points on the real axis and (ii) point estimates of unknown system parameters, utilizing variational expectation maximization. We extensively evaluate our algorithm under the model assumption and for real-world examples.

Although recent advances in voice conversion have shown significant improvement, there still remains a gap between the converted voice and target voice. A key factor that maintains this gap is the insufficient decomposition of content and voice style from the source speech. This insufficiency leads to the converted speech containing source speech style or losing source speech content. In this paper, we present VoiceMixer which can effectively decompose and transfer voice style through a novel information bottleneck and adversarial feedback. With self-supervised representation learning, the proposed information bottleneck can decompose the content and style with only a small loss of content information. Also, for adversarial feedback of each information, the discriminator is decomposed into content and style discriminator with self-supervision, which enable our model to achieve better generalization to the voice style of the converted speech. The experimental results show the superiority of our model in disentanglement and transfer performance, and improve audio quality by preserving content information.

Recognizing fine-grained categories remains a challenging task, due to the subtle distinctions among different subordinate categories, which results in the need of abundant annotated samples. To alleviate the data-hungry problem, we consider the problem of learning novel categories from web data with the support of a clean set of base categories, which is referred to as weak-shot learning. In this setting, we propose a method called SimTrans to transfer pairwise semantic similarity from base categories to novel categories. Specifically, we firstly train a similarity net on clean data, and then leverage the transferred similarity to denoise web training data using two simple yet effective strategies. In addition, we apply adversarial loss on similarity net to enhance the transferability of similarity. Comprehensive experiments demonstrate the effectiveness of our weak-shot setting and our SimTrans method.

Adversarial imitation learning has become a popular framework for imitation in continuous control. Over the years, several variations of its components were proposed to enhance the performance of the learned policies as well as the sample complexity of the algorithm. In practice, these choices are rarely tested all together in rigorous empirical studies.It is therefore difficult to discuss and understand what choices, among the high-level algorithmic options as well as low-level implementation details, matter. To tackle this issue, we implement more than 50 of these choices in a generic adversarial imitation learning frameworkand investigate their impacts in a large-scale study (>500k trained agents) with both synthetic and human-generated demonstrations. We analyze the key results and highlight the most surprising findings.

A common assumption in many domains is that high dimensional data are a smooth nonlinear function of a small number of independent factors. When is it possible to recover the factors from unlabeled data? In the context of deep models this problem is called “disentanglement” and was recently shown to be impossible without additional strong assumptions [17, 19]. In this paper, we show that the assumption of local isometry together with non-Gaussianity of the factors, is sufficient to provably recover disentangled representations from data. We leverage recent advances in deep generative models to construct manifolds of highly realistic images for which the ground truth latent representation is known, and test whether modern and classical methods succeed in recovering the latent factors. For many different manifolds, we find that a spectral method that explicitly optimizes local isometry and non-Gaussianity consistently finds the correct latent factors, while baseline deep autoencoders do not. We propose how to encourage deep autoencoders to find encodings that satisfy local isometry and show that this helps them discover disentangled representations. Overall, our results suggest that in some realistic settings, unsupervised disentanglement is provably possible, without any domain-specific assumptions.

We introduce the ``continuized'' Nesterov acceleration, a close variant of Nesterov acceleration whose variables are indexed by a continuous time parameter. The two variables continuously mix following a linear ordinary differential equation and take gradient steps at random times. This continuized variant benefits from the best of the continuous and the discrete frameworks: as a continuous process, one can use differential calculus to analyze convergence and obtain analytical expressions for the parameters; but a discretization of the continuized process can be computed exactly with convergence rates similar to those of Nesterov original acceleration. We show that the discretization has the same structure as Nesterov acceleration, but with random parameters. We provide continuized Nesterov acceleration under deterministic as well as stochastic gradients, with either additive or multiplicative noise. Finally, using our continuized framework and expressing the gossip averaging problem as the stochastic minimization of a certain energy function, we provide the first rigorous acceleration of asynchronous gossip algorithms.

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.

Deep reinforcement learning (RL) algorithms are predominantly evaluated by comparing their relative performance on a large suite of tasks. Most published results on deep RL benchmarks compare point estimates of aggregate performance such as mean and median scores across tasks, ignoring the statistical uncertainty implied by the use of a finite number of training runs. Beginning with the Arcade Learning Environment (ALE), the shift towards computationally-demanding benchmarks has led to the practice of evaluating only a small number of runs per task, exacerbating the statistical uncertainty in point estimates. In this paper, we argue that reliable evaluation in the few run deep RL regime cannot ignore the uncertainty in results without running the risk of slowing down progress in the field. We illustrate this point using a case study on the Atari 100k benchmark, where we find substantial discrepancies between conclusions drawn from point estimates alone versus a more thorough statistical analysis. With the aim of increasing the field's confidence in reported results with a handful of runs, we advocate for reporting interval estimates of aggregate performance and propose performance profiles to account for the variability in results, as well as present more robust and efficient aggregate metrics, such as …

Recent works in self-supervised learning have advanced the state-of-the-art by relying on the contrastive learning paradigm, which learns representations by pushing positive pairs, or similar examples from the same class, closer together while keeping negative pairs far apart. Despite the empirical successes, theoretical foundations are limited -- prior analyses assume conditional independence of the positive pairs given the same class label, but recent empirical applications use heavily correlated positive pairs (i.e., data augmentations of the same image). Our work analyzes contrastive learning without assuming conditional independence of positive pairs using a novel concept of the augmentation graph on data. Edges in this graph connect augmentations of the same data, and ground-truth classes naturally form connected sub-graphs. We propose a loss that performs spectral decomposition on the population augmentation graph and can be succinctly written as a contrastive learning objective on neural net representations. Minimizing this objective leads to features with provable accuracy guarantees under linear probe evaluation. By standard generalization bounds, these accuracy guarantees also hold when minimizing the training contrastive loss. In all, this work provides the first provable analysis for contrastive learning where the guarantees can apply to realistic empirical settings.

A recurring theme in statistical learning, online learning, and beyond is that faster convergence rates are possible for problems with low noise, often quantified by the performance of the best hypothesis; such results are known as first-order or small-loss guarantees. While first-order guarantees are relatively well understood in statistical and online learning, adapting to low noise in contextual bandits (and more broadly, decision making) presents major algorithmic challenges. In a COLT 2017 open problem, Agarwal, Krishnamurthy, Langford, Luo, and Schapire asked whether first-order guarantees are even possible for contextual bandits and---if so---whether they can be attained by efficient algorithms. We give a resolution to this question by providing an optimal and efficient reduction from contextual bandits to online regression with the logarithmic (or, cross-entropy) loss. Our algorithm is simple and practical, readily accommodates rich function classes, and requires no distributional assumptions beyond realizability. In a large-scale empirical evaluation, we find that our approach typically outperforms comparable non-first-order methods.On the technical side, we show that the logarithmic loss and an information-theoretic quantity called the triangular discrimination play a fundamental role in obtaining first-order guarantees, and we combine this observation with new refinements to the regression oracle reduction framework of Foster and …

Circuit representations are becoming the lingua franca to express and reason about tractable generative and discriminative models. In this paper, we show how complex inference scenarios for these models that commonly arise in machine learning---from computing the expectations of decision tree ensembles to information-theoretic divergences of sum-product networks---can be represented in terms of tractable modular operations over circuits. Specifically, we characterize the tractability of simple transformations---sums, products, quotients, powers, logarithms, and exponentials---in terms of sufficient structural constraints of the circuits they operate on, and present novel hardness results for the cases in which these properties are not satisfied. Building on these operations, we derive a unified framework for reasoning about tractable models that generalizes several results in the literature and opens up novel tractable inference scenarios.

A few years ago, the first CNN surpassed human performance on ImageNet. However, it soon became clear that machines lack robustness on more challenging test cases, a major obstacle towards deploying machines "in the wild" and towards obtaining better computational models of human visual perception. Here we ask: Are we making progress in closing the gap between human and machine vision? To answer this question, we tested human observers on a broad range of out-of-distribution (OOD) datasets, recording 85,120 psychophysical trials across 90 participants. We then investigated a range of promising machine learning developments that crucially deviate from standard supervised CNNs along three axes: objective function (self-supervised, adversarially trained, CLIP language-image training), architecture (e.g. vision transformers), and dataset size (ranging from 1M to 1B).Our findings are threefold. (1.) The longstanding distortion robustness gap between humans and CNNs is closing, with the best models now exceeding human feedforward performance on most of the investigated OOD datasets. (2.) There is still a substantial image-level consistency gap, meaning that humans make different errors than models. In contrast, most models systematically agree in their categorisation errors, even substantially different ones like contrastive self-supervised vs. standard supervised models. (3.) In many cases, human-to-model consistency improves …

Neural volume rendering became increasingly popular recently due to its success in synthesizing novel views of a scene from a sparse set of input images. So far, the geometry learned by neural volume rendering techniques was modeled using a generic density function. Furthermore, the geometry itself was extracted using an arbitrary level set of the density function leading to a noisy, often low fidelity reconstruction.The goal of this paper is to improve geometry representation and reconstruction in neural volume rendering. We achieve that by modeling the volume density as a function of the geometry. This is in contrast to previous work modeling the geometry as a function of the volume density. In more detail, we define the volume density function as Laplace's cumulative distribution function (CDF) applied to a signed distance function (SDF) representation. This simple density representation has three benefits: (i) it provides a useful inductive bias to the geometry learned in the neural volume rendering process; (ii) it facilitates a bound on the opacity approximation error, leading to an accurate sampling of the viewing ray. Accurate sampling is important to provide a precise coupling of geometry and radiance; and (iii) it allows efficient unsupervised disentanglement of shape and …

We present an end-to-end, model-based deep reinforcement learning agent which dynamically attends to relevant parts of its state during planning. The agent uses a bottleneck mechanism over a set-based representation to force the number of entities to which the agent attends at each planning step to be small. In experiments, we investigate the bottleneck mechanism with several sets of customized environments featuring different challenges. We consistently observe that the design allows the planning agents to generalize their learned task-solving abilities in compatible unseen environments by attending to the relevant objects, leading to better out-of-distribution generalization performance.

The worst-case training principle that minimizes the maximal adversarial loss, also known as adversarial training (AT), has shown to be a state-of-the-art approach for enhancing adversarial robustness. Nevertheless, min-max optimization beyond the purpose of AT has not been rigorously explored in the adversarial context. In this paper, we show how a general notion of min-max optimization over multiple domains can be leveraged to the design of different types of adversarial attacks. In particular, given a set of risk sources, minimizing the worst-case attack loss can be reformulated as a min-max problem by introducing domain weights that are maximized over the probability simplex of the domain set. We showcase this unified framework in three attack generation problems -- attacking model ensembles, devising universal perturbation under multiple inputs, and crafting attacks resilient to data transformations. Extensive experiments demonstrate that our approach leads to substantial attack improvement over the existing heuristic strategies as well as robustness improvement over state-of-the-art defense methods against multiple perturbation types. Furthermore, we find that the self-adjusted domain weights learned from min-max optimization can provide a holistic tool to explain the difficulty level of attack across domains.

Goal-conditioned reinforcement learning (RL) usually suffers from sparse reward and inefficient exploration in long-horizon tasks. Planning can find the shortest path to a distant goal that provides dense reward/guidance but is inaccurate without a precise environment model. We show that RL and planning can collaboratively learn from each other to overcome their own drawbacks. In ''CO-PILOT'', a learnable path-planner and an RL agent produce dense feedback to train each other on a curriculum of tree-structured sub-tasks. Firstly, the planner recursively decomposes a long-horizon task to a tree of sub-tasks in a top-down manner, whose layers construct coarse-to-fine sub-task sequences as plans to complete the original task. The planning policy is trained to minimize the RL agent's cost of completing the sequence in each layer from top to bottom layers, which gradually increases the sub-tasks and thus forms an easy-to-hard curriculum for the planner. Next, a bottom-up traversal of the tree trains the RL agent from easier sub-tasks with denser rewards on bottom layers to harder ones on top layers and collects its cost on each sub-task train the planner in the next episode. CO-PILOT repeats this mutual training for multiple episodes before switching to a new task, so the RL …

Motivated by the high discard rate of donated organs in the United States, we study an allocation problem in the presence of learning and strategic incentives. We consider a setting where a benevolent social planner decides whether and how to allocate a single indivisible object to a queue of strategic agents. The object has a common true quality, good or bad, which is ex-ante unknown to everyone. Each agent holds an informative, yet noisy, private signal about the quality. To make a correct allocation decision the planner attempts to learn the object quality by truthfully eliciting agents' signals. Under the commonly applied sequential offering mechanism, we show that learning is hampered by the presence of strategic incentives as herding may emerge. This can result in incorrect allocation and welfare loss. To overcome these issues, we propose a novel class of incentive-compatible mechanisms. Our mechanism involves a batch-by-batch, dynamic voting process using a majority rule. We prove that the proposed voting mechanisms improve the probability of correct allocation whenever agents are sufficiently well informed. Particularly, we show that such an improvement can be achieved via a simple greedy algorithm. We quantify the improvement using simulations.

Quality diversity (QD) is a growing branch of stochastic optimization research that studies the problem of generating an archive of solutions that maximize a given objective function but are also diverse with respect to a set of specified measure functions. However, even when these functions are differentiable, QD algorithms treat them as "black boxes", ignoring gradient information. We present the differentiable quality diversity (DQD) problem, a special case of QD, where both the objective and measure functions are first order differentiable. We then present MAP-Elites via a Gradient Arborescence (MEGA), a DQD algorithm that leverages gradient information to efficiently explore the joint range of the objective and measure functions. Results in two QD benchmark domains and in searching the latent space of a StyleGAN show that MEGA significantly outperforms state-of-the-art QD algorithms, highlighting DQD's promise for efficient quality diversity optimization when gradient information is available. Source code is available at https://github.com/icaros-usc/dqd.

We study acquisition functions for active learning (AL) for text classification. The Expected Loss Reduction (ELR) method focuses on a Bayesian estimate of the reduction in classification error, recently updated with Mean Objective Cost of Uncertainty (MOCU). We convert the ELR framework to estimate the increase in (strictly proper) scores like log probability or negative mean square error, which we call Bayesian Estimate of Mean Proper Scores (BEMPS). We also prove convergence results borrowing techniques used with MOCU. In order to allow better experimentation with the new acquisition functions, we develop a complementary batch AL algorithm, which encourages diversity in the vector of expected changes in scores for unlabelled data. To allow high performance text classifiers, we combine ensembling and dynamic validation set construction on pretrained language models. Extensive experimental evaluation then explores how these different acquisition functions perform. The results show that the use of mean square error and log probability with BEMPS yields robust acquisition functions, which consistently outperform the others tested.

Conducting efficient performance estimations of neural architectures is a major challenge in neural architecture search (NAS). To reduce the architecture training costs in NAS, one-shot estimators (OSEs) amortize the architecture training costs by sharing the parameters of one supernet between all architectures. Recently, zero-shot estimators (ZSEs) that involve no training are proposed to further reduce the architecture evaluation cost. Despite the high efficiency of these estimators, the quality of such estimations has not been thoroughly studied. In this paper, we conduct an extensive and organized assessment of OSEs and ZSEs on five NAS benchmarks: NAS-Bench-101/201/301, and NDS ResNet/ResNeXt-A. Specifically, we employ a set of NAS-oriented criteria to study the behavior of OSEs and ZSEs, and reveal their biases and variances. After analyzing how and why the OSE estimations are unsatisfying, we explore how to mitigate the correlation gap of OSEs from three perspectives. Through our analysis, we give out suggestions for future application and development of efficient architecture performance estimators. Furthermore, the analysis framework proposed in our work could be utilized in future research to give a more comprehensive understanding of newly designed architecture performance estimators. The code is available at https://github.com/walkerning/aw_nas.

The growing literature of Federated Learning (FL) has recently inspired Federated Reinforcement Learning (FRL) to encourage multiple agents to federatively build a better decision-making policy without sharing raw trajectories. Despite its promising applications, existing works on FRL fail to I) provide theoretical analysis on its convergence, and II) account for random system failures and adversarial attacks. Towards this end, we propose the first FRL framework the convergence of which is guaranteed and tolerant to less than half of the participating agents being random system failures or adversarial attackers. We prove that the sample efficiency of the proposed framework is guaranteed to improve with the number of agents and is able to account for such potential failures or attacks. All theoretical results are empirically verified on various RL benchmark tasks.

Federated learning, which shares the weights of the neural network across clients, is gaining attention in the healthcare sector as it enables training on a large corpus of decentralized data while maintaining data privacy. For example, this enables neural network training for COVID-19 diagnosis on chest X-ray (CXR) images without collecting patient CXR data across multiple hospitals. Unfortunately, the exchange of the weights quickly consumes the network bandwidth if highly expressive network architecture is employed. So-called split learning partially solves this problem by dividing a neural network into a client and a server part, so that the client part of the network takes up less extensive computation resources and bandwidth. However, it is not clear how to find the optimal split without sacrificing the overall network performance. To amalgamate these methods and thereby maximize their distinct strengths, here we show that the Vision Transformer, a recently developed deep learning architecture with straightforward decomposable configuration, is ideally suitable for split learning without sacrificing performance. Even under the non-independent and identically distributed data distribution which emulates a real collaboration between hospitals using CXR datasets from multiple sources, the proposed framework was able to attain performance comparable to data-centralized training. In addition, the …

Graph neural networks (GNNs) have shown the power in graph representation learning for numerous tasks. In this work, we discover an interesting phenomenon that although residual connections in the message passing of GNNs help improve the performance, they immensely amplify GNNs' vulnerability against abnormal node features. This is undesirable because in real-world applications, node features in graphs could often be abnormal such as being naturally noisy or adversarially manipulated. We analyze possible reasons to understand this phenomenon and aim to design GNNs with stronger resilience to abnormal features. Our understandings motivate us to propose and derive a simple, efficient, interpretable, and adaptive message passing scheme, leading to a novel GNN with Adaptive Residual, AirGNN. Extensive experiments under various abnormal feature scenarios demonstrate the effectiveness of the proposed algorithm.

Neural Module Networks (NMNs) aim at Visual Question Answering (VQA) via composition of modules that tackle a sub-task. NMNs are a promising strategy to achieve systematic generalization, i.e., overcoming biasing factors in the training distribution. However, the aspects of NMNs that facilitate systematic generalization are not fully understood. In this paper, we demonstrate that the degree of modularity of the NMN have large influence on systematic generalization. In a series of experiments on three VQA datasets (VQA-MNIST, SQOOP, and CLEVR-CoGenT), our results reveal that tuning the degree of modularity, especially at the image encoder stage, reaches substantially higher systematic generalization. These findings lead to new NMN architectures that outperform previous ones in terms of systematic generalization.

We develop an algorithm to address unsupervised domain adaptation (UDA) in continual learning (CL) settings. The goal is to update a model continually to learn distributional shifts across sequentially arriving tasks with unlabeled data while retaining the knowledge about the past learned tasks. Existing UDA algorithms address the challenge of domain shift, but they require simultaneous access to the datasets of the source and the target domains. On the other hand, existing works on CL can handle tasks with labeled data. Our solution is based on consolidating the learned internal distribution for improved model generalization on new domains and benefitting from experience replay to overcome catastrophic forgetting.

This paper explores the generalization loss of linear regression in variably parameterized families of models, both under-parameterized and over-parameterized. We show that the generalization curve can have an arbitrary number of peaks, and moreover, the locations of those peaks can be explicitly controlled. Our results highlight the fact that both the classical U-shaped generalization curve and the recently observed double descent curve are not intrinsic properties of the model family. Instead, their emergence is due to the interaction between the properties of the data and the inductive biases of learning algorithms.

While early research in neural architecture search (NAS) required extreme computational resources, the recent releases of tabular and surrogate benchmarks have greatly increased the speed and reproducibility of NAS research. However, two of the most popular benchmarks do not provide the full training information for each architecture. As a result, on these benchmarks it is not possible to evaluate many types of multi-fidelity algorithms, such as learning curve extrapolation, that require evaluating architectures at arbitrary epochs. In this work, we present a method using singular value decomposition and noise modeling to create surrogate benchmarks, NAS-Bench-111, NAS-Bench-311, and NAS-Bench-NLP11, that output the full training information for each architecture, rather than just the final validation accuracy. We demonstrate the power of using the full training information by introducing a learning curve extrapolation framework to modify single-fidelity algorithms, showing that it leads to improvements over popular single-fidelity algorithms which claimed to be state-of-the-art upon release.

We investigate the problem of active learning in the streaming setting in non-parametric regimes, where the labels are stochastically generated from a class of functions on which we make no assumptions whatsoever. We rely on recently proposed Neural Tangent Kernel (NTK) approximation tools to construct a suitable neural embedding that determines the feature space the algorithm operates on and the learned model computed atop. Since the shape of the label requesting threshold is tightly related to the complexity of the function to be learned, which is a-priori unknown, we also derive a version of the algorithm which is agnostic to any prior knowledge. This algorithm relies on a regret balancing scheme to solve the resulting online model selection problem, and is computationally efficient. We prove joint guarantees on the cumulative regret and number of requested labels which depend on the complexity of the labeling function at hand. In the linear case, these guarantees recover known minimax results of the generalization error as a function of the label complexity in a standard statistical learning setting.

Link prediction is a very fundamental task on graphs. Inspired by traditional path-based methods, in this paper we propose a general and flexible representation learning framework based on paths for link prediction. Specifically, we define the representation of a pair of nodes as the generalized sum of all path representations, with each path representation as the generalized product of the edge representations in the path. Motivated by the Bellman-Ford algorithm for solving the shortest path problem, we show that the proposed path formulation can be efficiently solved by the generalized Bellman-Ford algorithm. To further improve the capacity of the path formulation, we propose the Neural Bellman-Ford Network (NBFNet), a general graph neural network framework that solves the path formulation with learned operators in the generalized Bellman-Ford algorithm. The NBFNet parameterizes the generalized Bellman-Ford algorithm with 3 neural components, namely Indicator, Message and Aggregate functions, which corresponds to the boundary condition, multiplication operator, and summation operator respectively. The NBFNet covers many traditional path-based methods, and can be applied to both homogeneous graphs and multi-relational graphs (e.g., knowledge graphs) in both transductive and inductive settings. Experiments on both homogeneous graphs and knowledge graphs show that the proposed NBFNet outperforms existing methods by …

Deep Markov models (DMM) are generative models which are scalable and expressive generalization of Markov models for representation, learning, and inference problems. However, the fundamental stochastic stability guarantees of such models have not been thoroughly investigated. In this paper, we present a novel stability analysis method and provide sufficient conditions of DMM's stochastic stability. The proposed stability analysis is based on the contraction of probabilistic maps modeled by deep neural networks. We make connections between the spectral properties of neural network's weights and different types of used activation function on the stability and overall dynamic behavior of DMMs with Gaussian distributions. Based on the theory, we propose a few practical methods for designing constrained DMMs with guaranteed stability. We empirically substantiate our theoretical results via intuitive numerical experiments using the proposed stability constraints.

Rules have a number of desirable properties. It is easy to understand, infer new knowledge, and communicate with other inference systems. One weakness of the previous rule induction systems is that they only find rules within a knowledge base (KB) and therefore cannot generalize to more open and complex real-world rules. Recently, the language model (LM)-based rule generation are proposed to enhance the expressive power of the rules.In this paper, we revisit the differences between KB-based rule induction and LM-based rule generation. We argue that, while KB-based methods inducted rules by discovering data commonalitiess, the current LM-based methods are learning rules from rules''. This limits these methods to only producecanned'' rules whose patterns are constrained by the annotated rules, while discarding the rich expressive power of LMs for free text.Therefore, in this paper, we propose the open rule induction problem, which aims to induce open rules utilizing the knowledge in LMs. Besides, we propose the Orion (\underline{o}pen \underline{r}ule \underline{i}nducti\underline{on}) system to automatically mine open rules from LMs without supervision of annotated rules. We conducted extensive experiments to verify the quality and quantity of the inducted open rules. Surprisingly, when applying the open rules in downstream tasks (i.e. relation extraction), …

We propose the particle dual averaging (PDA) method, which generalizes the dual averaging method in convex optimization to the optimization over probability distributions with quantitative runtime guarantee. The algorithm consists of an inner loop and outer loop: the inner loop utilizes the Langevin algorithm to approximately solve for a stationary distribution, which is then optimized in the outer loop. The method can be interpreted as an extension of the Langevin algorithm to naturally handle nonlinear functional on the probability space. An important application of the proposed method is the optimization of neural network in the mean field regime, which is theoretically attractive due to the presence of nonlinear feature learning, but quantitative convergence rate can be challenging to obtain. By adapting finite-dimensional convex optimization theory into the space of measures, we not only establish global convergence of PDA for two-layer mean field neural networks under more general settings and simpler analysis, but also provide quantitative polynomial runtime guarantee. Our theoretical results are supported by numerical simulations on neural networks with reasonable size.

Variational autoencoders model high-dimensional data by positinglow-dimensional latent variables that are mapped through a flexibledistribution parametrized by a neural network. Unfortunately,variational autoencoders often suffer from posterior collapse: theposterior of the latent variables is equal to its prior, rendering thevariational autoencoder useless as a means to produce meaningfulrepresentations. Existing approaches to posterior collapse oftenattribute it to the use of neural networks or optimization issues dueto variational approximation. In this paper, we consider posteriorcollapse as a problem of latent variable non-identifiability. We provethat the posterior collapses if and only if the latent variables arenon-identifiable in the generative model. This fact implies thatposterior collapse is not a phenomenon specific to the use of flexibledistributions or approximate inference. Rather, it can occur inclassical probabilistic models even with exact inference, which wealso demonstrate. Based on these results, we propose a class oflatent-identifiable variational autoencoders, deep generative modelswhich enforce identifiability without sacrificing flexibility. Thismodel class resolves the problem of latent variablenon-identifiability by leveraging bijective Brenier maps andparameterizing them with input convex neural networks, without specialvariational inference objectives or optimization tricks. Acrosssynthetic and real datasets, latent-identifiable variationalautoencoders outperform existing methods in mitigating posteriorcollapse and providing meaningful representations of the data.

We study the role of the representation of state-action value functions in regret minimization in finite-horizon Markov Decision Processes (MDPs) with linear structure. We first derive a necessary condition on the representation, called universally spanning optimal features (UNISOFT), to achieve constant regret in any MDP with linear reward function. This result encompasses the well-known settings of low-rank MDPs and, more generally, zero inherent Bellman error (also known as the Bellman closure assumption). We then demonstrate that this condition is also sufficient for these classes of problems by deriving a constant regret bound for two optimistic algorithms (LSVI-UCB and ELEANOR). Finally, we propose an algorithm for representation selection and we prove that it achieves constant regret when one of the given representations, or a suitable combination of them, satisfies the UNISOFT condition.

Unpredictable ML model behavior on unseen data, especially in the health domain, raises serious concerns about its safety as repercussions for mistakes can be fatal. In this paper, we explore the feasibility of using state-of-the-art out-of-distribution detectors for reliable and trustworthy diagnostic predictions. We select publicly available deep learning models relating to various health conditions (e.g., skin cancer, lung sound, and Parkinson's disease) using various input data types (e.g., image, audio, and motion data). We demonstrate that these models show unreasonable predictions on out-of-distribution datasets. We show that Mahalanobis distance- and Gram matrices-based out-of-distribution detection methods are able to detect out-of-distribution data with high accuracy for the health models that operate on different modalities. We then translate the out-of-distribution score into a human interpretable \textsc{confidence score} to investigate its effect on the users' interaction with health ML applications. Our user study shows that the \textsc{confidence score} helped the participants only trust the results with a high score to make a medical decision and disregard results with a low score. Through this work, we demonstrate that dataset shift is a critical piece of information for high-stake ML applications, such as medical diagnosis and healthcare, to provide reliable and trustworthy predictions to …

Models recently used in the literature proving residual networks (ResNets) are better than linear predictors are actually different from standard ResNets that have been widely used in computer vision. In addition to the assumptions such as scalar-valued output or single residual block, the models fundamentally considered in the literature have no nonlinearities at the final residual representation that feeds into the final affine layer. To codify such a difference in nonlinearities and reveal a linear estimation property, we define ResNEsts, i.e., Residual Nonlinear Estimators, by simply dropping nonlinearities at the last residual representation from standard ResNets. We show that wide ResNEsts with bottleneck blocks can always guarantee a very desirable training property that standard ResNets aim to achieve, i.e., adding more blocks does not decrease performance given the same set of basis elements. To prove that, we first recognize ResNEsts are basis function models that are limited by a coupling problem in basis learning and linear prediction. Then, to decouple prediction weights from basis learning, we construct a special architecture termed augmented ResNEst (A-ResNEst) that always guarantees no worse performance with the addition of a block. As a result, such an A-ResNEst establishes empirical risk lower bounds for a ResNEst …

The Text-to-SQL task, aiming to translate the natural language of the questions into SQL queries, has drawn much attention recently. One of the most challenging problems of Text-to-SQL is how to generalize the trained model to the unseen database schemas, also known as the cross-domain Text-to-SQL task. The key lies in the generalizability of (i) the encoding method to model the question and the database schema and (ii) the question-schema linking method to learn the mapping between words in the question and tables/columns in the database schema. Focusing on the above two key issues, we propose a \emph{Structure-Aware Dual Graph Aggregation Network} (SADGA) for cross-domain Text-to-SQL. In SADGA, we adopt the graph structure to provide a unified encoding model for both the natural language question and database schema. Based on the proposed unified modeling, we further devise a structure-aware aggregation method to learn the mapping between the question-graph and schema-graph. The structure-aware aggregation method is featured with \emph{Global Graph Linking}, \emph{Local Graph Linking} and \emph{Dual-Graph Aggregation Mechanism}. We not only study the performance of our proposal empirically but also achieved 3rd place on the challenging Text-to-SQL benchmark Spider at the time of writing.

The Neural Tangent Kernel (NTK) characterizes the behavior of infinitely-wide neural networks trained under least squares loss by gradient descent. Recent works also report that NTK regression can outperform finitely-wide neural networks trained on small-scale datasets. However, the computational complexity of kernel methods has limited its use in large-scale learning tasks. To accelerate learning with NTK, we design a near input-sparsity time approximation algorithm for NTK, by sketching the polynomial expansions of arc-cosine kernels: our sketch for the convolutional counterpart of NTK (CNTK) can transform any image using a linear runtime in the number of pixels. Furthermore, we prove a spectral approximation guarantee for the NTK matrix, by combining random features (based on leverage score sampling) of the arc-cosine kernels with a sketching algorithm. We benchmark our methods on various large-scale regression and classification tasks and show that a linear regressor trained on our CNTK features matches the accuracy of exact CNTK on CIFAR-10 dataset while achieving 150x speedup.

In this paper, we explore how we can build upon the data and models of Internet images and use them to adapt to robot vision without requiring any extra labels. We present a framework called Self-supervised Embodied Active Learning (SEAL). It utilizes perception models trained on internet images to learn an active exploration policy. The observations gathered by this exploration policy are labelled using 3D consistency and used to improve the perception model. We build and utilize 3D semantic maps to learn both action and perception in a completely self-supervised manner. The semantic map is used to compute an intrinsic motivation reward for training the exploration policy and for labelling the agent observations using spatio-temporal 3D consistency and label propagation. We demonstrate that the SEAL framework can be used to close the action-perception loop: it improves object detection and instance segmentation performance of a pretrained perception model by just moving around in training environments and the improved perception model can be used to improve Object Goal Navigation.

Predictor-based Neural Architecture Search (NAS) continues to be an important topic because it aims to mitigate the time-consuming search procedure of traditional NAS methods. A promising performance predictor determines the quality of final searched models in predictor-based NAS methods. Most existing predictor-based methodologies train model-based predictors under a proxy dataset setting, which may suffer from the accuracy decline and the generalization problem, mainly due to their poor abilities to represent spatial topology information of the graph structure data. Besides the poor encoding for spatial topology information, these works did not take advantage of the temporal information such as historical evaluations during training. Thus, we propose a Transformer-based NAS performance predictor, associated with a Laplacian matrix based positional encoding strategy, which better represents topology information and achieves better performance than previous state-of-the-art methods on NAS-Bench-101, NAS-Bench-201, and DARTS search space. Furthermore, we also propose a self-evolution framework that can fully utilize temporal information as guidance. This framework iteratively involves the evaluations of previously predicted results as constraints into current optimization iteration, thus further improving the performance of our predictor. Such framework is model-agnostic, thus can enhance performance on various backbone structures for the prediction task. Our proposed method helped us rank …

Deep neural networks are known to have security issues. One particular threat is the Trojan attack. It occurs when the attackers stealthily manipulate the model's behavior through Trojaned training samples, which can later be exploited. Guided by basic neuroscientific principles, we discover subtle -- yet critical -- structural deviation characterizing Trojaned models. In our analysis we use topological tools. They allow us to model high-order dependencies in the networks, robustly compare different networks, and localize structural abnormalities. One interesting observation is that Trojaned models develop short-cuts from shallow to deep layers. Inspired by these observations, we devise a strategy for robust detection of Trojaned models. Compared to standard baselines it displays better performance on multiple benchmarks.

The vulnerability of Deep Neural Networks to adversarial attacks has spurred immense interest towards improving their robustness. However, present state-of-the-art adversarial defenses involve the use of 10-step adversaries during training, which renders them computationally infeasible for application to large-scale datasets. While the recent single-step defenses show promising direction, their robustness is not on par with multi-step training methods. In this work, we bridge this performance gap by introducing a novel Nuclear-Norm regularizer on network predictions to enforce function smoothing in the vicinity of data samples. While prior works consider each data sample independently, the proposed regularizer uses the joint statistics of adversarial samples across a training minibatch to enhance optimization during both attack generation and training, obtaining state-of-the-art results amongst efficient defenses. We achieve further gains by incorporating exponential averaging of network weights over training iterations. We finally introduce a Hybrid training approach that combines the effectiveness of a two-step variant of the proposed defense with the efficiency of a single-step defense. We demonstrate superior results when compared to multi-step defenses such as TRADES and PGD-AT as well, at a significantly lower computational cost.

Spiking neural networks (SNNs) are brain-inspired models that enable energy-efficient implementation on neuromorphic hardware. However, the supervised training of SNNs remains a hard problem due to the discontinuity of the spiking neuron model. Most existing methods imitate the backpropagation framework and feedforward architectures for artificial neural networks, and use surrogate derivatives or compute gradients with respect to the spiking time to deal with the problem. These approaches either accumulate approximation errors or only propagate information limitedly through existing spikes, and usually require information propagation along time steps with large memory costs and biological implausibility. In this work, we consider feedback spiking neural networks, which are more brain-like, and propose a novel training method that does not rely on the exact reverse of the forward computation. First, we show that the average firing rates of SNNs with feedback connections would gradually evolve to an equilibrium state along time, which follows a fixed-point equation. Then by viewing the forward computation of feedback SNNs as a black-box solver for this equation, and leveraging the implicit differentiation on the equation, we can compute the gradient for parameters without considering the exact forward procedure. In this way, the forward and backward procedures are decoupled and …

Multiple instance learning (MIL) is a powerful tool to solve the weakly supervised classification in whole slide image (WSI) based pathology diagnosis. However, the current MIL methods are usually based on independent and identical distribution hypothesis, thus neglect the correlation among different instances. To address this problem, we proposed a new framework, called correlated MIL, and provided a proof for convergence. Based on this framework, we devised a Transformer based MIL (TransMIL), which explored both morphological and spatial information. The proposed TransMIL can effectively deal with unbalanced/balanced and binary/multiple classification with great visualization and interpretability. We conducted various experiments for three different computational pathology problems and achieved better performance and faster convergence compared with state-of-the-art methods. The test AUC for the binary tumor classification can be up to 93.09% over CAMELYON16 dataset. And the AUC over the cancer subtypes classification can be up to 96.03% and 98.82% over TCGA-NSCLC dataset and TCGA-RCC dataset, respectively. Implementation is available at: https://github.com/szc19990412/TransMIL.

We study the off-policy evaluation (OPE) problem in reinforcement learning with linear function approximation, which aims to estimate the value function of a target policy based on the offline data collected by a behavior policy. We propose to incorporate the variance information of the value function to improve the sample efficiency of OPE. More specifically, for time-inhomogeneous episodic linear Markov decision processes (MDPs), we propose an algorithm, \texttt{VA-OPE}, which uses the estimated variance of the value function to reweight the Bellman residual in Fitted Q-Iteration. We show that our algorithm achieves a tighter error bound than the best-known result. We also provide a fine-grained characterization of the distribution shift between the behavior policy and the target policy. Extensive numerical experiments corroborate our theory.

Humans build 3D understandings of the world through active object exploration, using jointly their senses of vision and touch. However, in 3D shape reconstruction, most recent progress has relied on static datasets of limited sensory data such as RGB images, depth maps or haptic readings, leaving the active exploration of the shape largely unexplored. In active touch sensing for 3D reconstruction, the goal is to actively select the tactile readings that maximize the improvement in shape reconstruction accuracy. However, the development of deep learning-based active touch models is largely limited by the lack of frameworks for shape exploration. In this paper, we focus on this problem and introduce a system composed of: 1) a haptic simulator leveraging high spatial resolution vision-based tactile sensors for active touching of 3D objects; 2) a mesh-based 3D shape reconstruction model that relies on tactile or visuotactile signals; and 3) a set of data-driven solutions with either tactile or visuotactile priors to guide the shape exploration. Our framework enables the development of the first fully data-driven solutions to active touch on top of learned models for object understanding. Our experiments show the benefits of such solutions in the task of 3D shape understanding where our …

In the natural world, life has found innumerable ways to survive and often thrive. Between and even within species, each individual is in some manner unique, and this diversity lends adaptability and robustness to life. In this work, we aim to learn a space of diverse and high-reward policies in a given environment. To this end, we introduce a generative model of policies for reinforcement learning, which maps a low-dimensional latent space to an agent policy space. Our method enables learning an entire population of agent policies, without requiring the use of separate policy parameters. Just as real world populations can adapt and evolve via natural selection, our method is able to adapt to changes in our environment solely by selecting for policies in latent space. We test our generative model’s capabilities in a variety of environments, including an open-ended grid-world and a two-player soccer environment. Code, visualizations, and additional experiments can be found at https://kennyderek.github.io/adap/.

Generative probabilistic modeling of biological sequences has widespread existing and potential use across biology and biomedicine, particularly given advances in high-throughput sequencing, synthesis and editing. However, we still lack methods with nucleotide resolution that are tractable at the scale of whole genomes and that can achieve high predictive accuracy in theory and practice. In this article we propose a new generative sequence model, the Bayesian embedded autoregressive (BEAR) model, which uses a parametric autoregressive model to specify a conjugate prior over a nonparametric Bayesian Markov model. We explore, theoretically and empirically, applications of BEAR models to a variety of statistical problems including density estimation, robust parameter estimation, goodness-of-fit tests, and two-sample tests. We prove rigorous asymptotic consistency results including nonparametric posterior concentration rates. We scale inference in BEAR models to datasets containing tens of billions of nucleotides. On genomic, transcriptomic, and metagenomic sequence data we show that BEAR models provide large increases in predictive performance as compared to parametric autoregressive models, among other results. BEAR models offer a flexible and scalable framework, with theoretical guarantees, for building and critiquing generative models at the whole genome scale.

We provide the first global optimization landscape analysis of Neural Collapse -- an intriguing empirical phenomenon that arises in the last-layer classifiers and features of neural networks during the terminal phase of training. As recently reported by Papyan et al., this phenomenon implies that (i) the class means and the last-layer classifiers all collapse to the vertices of a Simplex Equiangular Tight Frame (ETF) up to scaling, and (ii) cross-example within-class variability of last-layer activations collapses to zero. We study the problem based on a simplified unconstrained feature model, which isolates the topmost layers from the classifier of the neural network. In this context, we show that the classical cross-entropy loss with weight decay has a benign global landscape, in the sense that the only global minimizers are the Simplex ETFs while all other critical points are strict saddles whose Hessian exhibit negative curvature directions. Our analysis of the simplified model not only explains what kind of features are learned in the last layer, but also shows why they can be efficiently optimized, matching the empirical observations in practical deep network architectures. These findings provide important practical implications. As an example, our experiments demonstrate that one may set the feature …

In this paper, we propose a max-min entropy framework for reinforcement learning (RL) to overcome the limitation of the soft actor-critic (SAC) algorithm implementing the maximum entropy RL in model-free sample-based learning. Whereas the maximum entropy RL guides learning for policies to reach states with high entropy in the future, the proposed max-min entropy framework aims to learn to visit states with low entropy and maximize the entropy of these low-entropy states to promote better exploration. For general Markov decision processes (MDPs), an efficient algorithm is constructed under the proposed max-min entropy framework based on disentanglement of exploration and exploitation. Numerical results show that the proposed algorithm yields drastic performance improvement over the current state-of-the-art RL algorithms.

We address an inherent difficulty in welfare-theoretic fair machine learning (ML), by proposing an equivalently-axiomatically justified alternative setting, and studying the resulting computational and statistical learning questions. Welfare metrics quantify overall wellbeing across a population of groups, and welfare-based objectives and constraints have recently been proposed to incentivize fair ML methods to satisfy their diverse needs. However, many ML problems are cast as loss minimization tasks, rather than utility maximization, and thus require nontrivial modeling to construct utility functions. We define a complementary metric, termed malfare, measuring overall societal harm, with axiomatic justification via the standard axioms of cardinal welfare, and cast fair ML as malfare minimization over the risk values (expected losses) of each group. Surprisingly, the axioms of cardinal welfare (malfare) dictate that this is not equivalent to simply defining utility as negative loss and maximizing welfare. Building upon these concepts, we define fair-PAC learning, where a fair-PAC learner is an algorithm that learns an ε-δ malfare-optimal model with bounded sample complexity, for any data distribution and (axiomatically justified) malfare concept. Finally, we show conditions under which many standard PAC-learners may be converted to fair-PAC learners, which places fair-PAC learning on firm theoretical ground, as it yields statistical …

We consider the detection and localization of gradual changes in the distribution of a sequence of time-ordered observations. Existing literature focuses mostly on the simpler abrupt setting which assumes a discontinuity jump in distribution, and is unrealistic for some applied settings. We propose a general method for detecting and localizing gradual changes that does not require any specific data generating model, any particular data type, or any prior knowledge about which features of the distribution are subject to change. Despite relaxed assumptions, the proposed method possesses proven theoretical guarantees for both detection and localization.

We propose and analyze a stochastic Newton algorithm for homogeneous distributed stochastic convex optimization, where each machine can calculate stochastic gradients of the same population objective, as well as stochastic Hessian-vector products (products of an independent unbiased estimator of the Hessian of the population objective with arbitrary vectors), with many such stochastic computations performed between rounds of communication. We show that our method can reduce the number, and frequency, of required communication rounds, compared to existing methods without hurting performance, by proving convergence guarantees for quasi-self-concordant objectives (e.g., logistic regression), alongside empirical evidence.

Prediction+optimization is a common real-world paradigm where we have to predict problem parameters before solving the optimization problem. However, the criteria by which the prediction model is trained are often inconsistent with the goal of the downstream optimization problem. Recently, decision-focused prediction approaches, such as SPO+ and direct optimization, have been proposed to fill this gap. However, they cannot directly handle the soft constraints with the max operator required in many real-world objectives. This paper proposes a novel analytically differentiable surrogate objective framework for real-world linear and semi-definite negative quadratic programming problems with soft linear and non-negative hard constraints. This framework gives the theoretical bounds on constraints’ multipliers, and derives the closed-form solution with respect to predictive parameters and thus gradients for any variable in the problem. We evaluate our method in three applications extended with soft constraints: synthetic linear programming, portfolio optimization, and resource provisioning, demonstrating that our method outperforms traditional two-staged methods and other decision-focused approaches

This paper presents a topological learning-theoretic perspective on causal inference by introducing a series of topologies defined on general spaces of structural causal models (SCMs). As an illustration of the framework we prove a topological causal hierarchy theorem, showing that substantive assumption-free causal inference is possible only in a meager set of SCMs. Thanks to a known correspondence between open sets in the weak topology and statistically verifiable hypotheses, our results show that inductive assumptions sufficient to license valid causal inferences are statistically unverifiable in principle. Similar to no-free-lunch theorems for statistical inference, the present results clarify the inevitability of substantial assumptions for causal inference. An additional benefit of our topological approach is that it easily accommodates SCMs with infinitely many variables. We finally suggest that our framework may be helpful for the positive project of exploring and assessing alternative causal-inductive assumptions.

We introduce Automorphism-based graph neural networks (Autobahn), a new family of graph neural networks. In an Autobahn, we decompose the graph into a collection of subgraphs and apply local convolutions that are equivariant to each subgraph's automorphism group. Specific choices of local neighborhoods and subgraphs recover existing architectures such as message passing neural networks. Our formalism also encompasses novel architectures: as an example, we introduce a graph neural network that decomposes the graph into paths and cycles. The resulting convolutions reflect the natural way that parts of the graph can transform, preserving the intuitive meaning of convolution without sacrificing global permutation equivariance. We validate our approach by applying Autobahn to molecular graphs, where it achieves results competitive with state-of-the-art message passing algorithms.

Discrete-time diffusion-based generative models and score matching methods have shown promising results in modeling high-dimensional image data. Recently, Song et al. (2021) show that diffusion processes that transform data into noise can be reversed via learning the score function, i.e. the gradient of the log-density of the perturbed data. They propose to plug the learned score function into an inverse formula to define a generative diffusion process. Despite the empirical success, a theoretical underpinning of this procedure is still lacking. In this work, we approach the (continuous-time) generative diffusion directly and derive a variational framework for likelihood estimation, which includes continuous-time normalizing flows as a special case, and can be seen as an infinitely deep variational autoencoder. Under this framework, we show that minimizing the score-matching loss is equivalent to maximizing a lower bound of the likelihood of the plug-in reverse SDE proposed by Song et al. (2021), bridging the theoretical gap.

Bayesian optimization (BO) is a powerful approach for optimizing black-box, expensive-to-evaluate functions. To enable a flexible trade-off between the cost and accuracy, many applications allow the function to be evaluated at different fidelities. In order to reduce the optimization cost while maximizing the benefit-cost ratio, in this paper we propose Batch Multi-fidelity Bayesian Optimization with Deep Auto-Regressive Networks (BMBO-DARN). We use a set of Bayesian neural networks to construct a fully auto-regressive model, which is expressive enough to capture strong yet complex relationships across all the fidelities, so as to improve the surrogate learning and optimization performance. Furthermore, to enhance the quality and diversity of queries, we develop a simple yet efficient batch querying method, without any combinatorial search over the fidelities. We propose a batch acquisition function based on Max-value Entropy Search (MES) principle, which penalizes highly correlated queries and encourages diversity. We use posterior samples and moment matching to fulfill efficient computation of the acquisition function, and conduct alternating optimization over every fidelity-input pair, which guarantees an improvement at each step. We demonstrate the advantage of our approach on four real-world hyperparameter optimization applications.

When faced with distribution shift at test time, deep neural networks often make inaccurate predictions with unreliable uncertainty estimates.While improving the robustness of neural networks is one promising approach to mitigate this issue, an appealing alternate to robustifying networks against all possible test-time shifts is to instead directly adapt them to unlabeled inputs from the particular distribution shift we encounter at test time.However, this poses a challenging question: in the standard Bayesian model for supervised learning, unlabeled inputs are conditionally independent of model parameters when the labels are unobserved, so what can unlabeled data tell us about the model parameters at test-time? In this paper, we derive a Bayesian model that provides for a well-defined relationship between unlabeled inputs under distributional shift and model parameters, and show how approximate inference in this model can be instantiated with a simple regularized entropy minimization procedure at test-time. We evaluate our method on a variety of distribution shifts for image classification, including image corruptions, natural distribution shifts, and domain adaptation settings, and show that our method improves both accuracy and uncertainty estimation.

We consider Bayesian optimization of the output of a network of functions, where each function takes as input the output of its parent nodes, and where the network takes significant time to evaluate. Such problems arise, for example, in reinforcement learning, engineering design, and manufacturing. While the standard Bayesian optimization approach observes only the final output, our approach delivers greater query efficiency by leveraging information that the former ignores: intermediate output within the network. This is achieved by modeling the nodes of the network using Gaussian processes and choosing the points to evaluate using, as our acquisition function, the expected improvement computed with respect to the implied posterior on the objective. Although the non-Gaussian nature of this posterior prevents computing our acquisition function in closed form, we show that it can be efficiently maximized via sample average approximation. In addition, we prove that our method is asymptotically consistent, meaning that it finds a globally optimal solution as the number of evaluations grows to infinity, thus generalizing previously known convergence results for the expected improvement. Notably, this holds even though our method might not evaluate the domain densely, instead leveraging problem structure to leave regions unexplored. Finally, we show that our …

The transformer architectures, based on self-attention mechanism and convolution-free design, recently found superior performance and booming applications in computer vision. However, the discontinuous patch-wise tokenization process implicitly introduces jagged artifacts into attention maps, arising the traditional problem of aliasing for vision transformers. Aliasing effect occurs when discrete patterns are used to produce high frequency or continuous information, resulting in the indistinguishable distortions. Recent researches have found that modern convolution networks still suffer from this phenomenon. In this work, we analyze the uncharted problem of aliasing in vision transformer and explore to incorporate anti-aliasing properties. Specifically, we propose a plug-and-play Aliasing-Reduction Module (ARM) to alleviate the aforementioned issue. We investigate the effectiveness and generalization of the proposed method across multiple tasks and various vision transformer families. This lightweight design consistently attains a clear boost over several famous structures. Furthermore, our module also improves data efficiency and robustness of vision transformers.

Supervised Pix2Pix and unsupervised Cycle-consistency are two modes that dominate the field of medical image-to-image translation. However, neither modes are ideal. The Pix2Pix mode has excellent performance. But it requires paired and well pixel-wise aligned images, which may not always be achievable due to respiratory motion or anatomy change between times that paired images are acquired. The Cycle-consistency mode is less stringent with training data and works well on unpaired or misaligned images. But its performance may not be optimal. In order to break the dilemma of the existing modes, we propose a new unsupervised mode called RegGAN for medical image-to-image translation. It is based on the theory of "loss-correction". In RegGAN, the misaligned target images are considered as noisy labels and the generator is trained with an additional registration network to fit the misaligned noise distribution adaptively. The goal is to search for the common optimal solution to both image-to-image translation and registration tasks. We incorporated RegGAN into a few state-of-the-art image-to-image translation methods and demonstrated that RegGAN could be easily combined with these methods to improve their performances. Such as a simple CycleGAN in our mode surpasses latest NICEGAN even though using less network parameters. Based on our …

When facing uncertainty, decision-makers want predictions they can trust. A machine learning provider can convey confidence to decision-makers by guaranteeing their predictions are distribution calibrated--- amongst the inputs that receive a predicted vector of class probabilities q, the actual distribution over classes is given by q. For multi-class prediction problems, however, directly optimizing predictions under distribution calibration tends to be infeasible, requiring sample complexity that grows exponentially in the number of classes C. In this work, we introduce a new notion---decision calibration---that requires the predicted distribution and true distribution over classes to be ``indistinguishable'' to downstream decision-makers. This perspective gives a new characterization of distribution calibration: a predictor is distribution calibrated if and only if it is decision calibrated with respect to all decision-makers. Our main result shows that under a mild restriction, unlike distribution calibration, decision calibration is actually feasible. We design a recalibration algorithm that provably achieves decision calibration efficiently, provided that the decision-makers have a bounded number of actions (e.g., polynomial in C). We validate our recalibration algorithm empirically: compared to existing methods, decision calibration improves decision-making on skin lesion and ImageNet classification with modern neural network predictors.

We introduce channel permutations as a method to maximize the accuracy of N:M sparse networks. N:M sparsity requires N out of M consecutive elements to be zero and has been shown to maintain accuracy for many models and tasks with a simple prune and fine-tune workflow. By permuting weight matrices along their channel dimension and adjusting the surrounding layers appropriately, we demonstrate accuracy recovery for even small, parameter-efficient networks, without affecting inference run-time. We also present both a quality metric to simplify judging permutations as well as efficient methods to search for high-quality permutations, including two optimizations to escape local minima. Finally, we share an ablation study to show the importance of each part of our search algorithm, experimental results showing correlation between our quality metric and final network accuracy, improved sparse network accuracy using our techniques with insignificant overhead to training time, and the transformation of unstructured to structured sparse workloads. Code to use these techniques when generating a 2:4 sparse network is available at https://github.com/NVIDIA/apex/tree/master/apex/contrib/sparsity.

Recent work in scientific machine learning has developed so-called physics-informed neural network (PINN) models. The typical approach is to incorporate physical domain knowledge as soft constraints on an empirical loss function and use existing machine learning methodologies to train the model. We demonstrate that, while existing PINN methodologies can learn good models for relatively trivial problems, they can easily fail to learn relevant physical phenomena for even slightly more complex problems. In particular, we analyze several distinct situations of widespread physical interest, including learning differential equations with convection, reaction, and diffusion operators. We provide evidence that the soft regularization in PINNs, which involves PDE-based differential operators, can introduce a number of subtle problems, including making the problem more ill-conditioned. Importantly, we show that these possible failure modes are not due to the lack of expressivity in the NN architecture, but that the PINN's setup makes the loss landscape very hard to optimize. We then describe two promising solutions to address these failure modes. The first approach is to use curriculum regularization, where the PINN's loss term starts from a simple PDE regularization, and becomes progressively more complex as the NN gets trained. The second approach is to pose the problem …

Deep learning systems typically suffer from catastrophic forgetting of past knowledge when acquiring new skills continually. In this paper, we emphasize two dilemmas, representation bias and classifier bias in class-incremental learning, and present a simple and novel approach that employs explicit class augmentation (classAug) and implicit semantic augmentation (semanAug) to address the two biases, respectively. On the one hand, we propose to address the representation bias by learning transferable and diverse representations. Specifically, we investigate the feature representations in incremental learning based on spectral analysis and present a simple technique called classAug, to let the model see more classes during training for learning representations transferable across classes. On the other hand, to overcome the classifier bias, semanAug implicitly involves the simultaneous generating of an infinite number of instances of old classes in the deep feature space, which poses tighter constraints to maintain the decision boundary of previously learned classes. Without storing any old samples, our method can perform comparably with representative data replay based approaches.

Recent interest in learning large variational Bayesian Neural Networks (BNNs) has been partly hampered by poor predictive performance caused by underfitting, and their performance is known to be very sensitive to the prior over weights. Current practice often fixes the prior parameters to standard values or tunes them using heuristics or cross-validation. In this paper, we treat prior parameters in a distributional way by extending the model and collapsing the variational bound with respect to their posteriors. This leads to novel and tighter Evidence Lower Bounds (ELBOs) for performing variational inference (VI) in BNNs. Our experiments show that the new bounds significantly improve the performance of Gaussian mean-field VI applied to BNNs on a variety of data sets, demonstrating that mean-field VI works well even in deep models. We also find that the tighter ELBOs can be good optimization targets for learning the hyperparameters of hierarchical priors.

We consider the problem of optimizing combinatorial spaces (e.g., sequences, trees, and graphs) using expensive black-box function evaluations. For example, optimizing molecules for drug design using physical lab experiments. Bayesian optimization (BO) is an efficient framework for solving such problems by intelligently selecting the inputs with high utility guided by a learned surrogate model. A recent BO approach for combinatorial spaces is through a reduction to BO over continuous spaces by learning a latent representation of structures using deep generative models (DGMs). The selected input from the continuous space is decoded into a discrete structure for performing function evaluation. However, the surrogate model over the latent space only uses the information learned by the DGM, which may not have the desired inductive bias to approximate the target black-box function. To overcome this drawback, this paper proposes a principled approach referred as LADDER. The key idea is to define a novel structure-coupled kernel that explicitly integrates the structural information from decoded structures with the learned latent space representation for better surrogate modeling. Our experiments on real-world benchmarks show that LADDER significantly improves over the BO over latent space method, and performs better or similar to state-of-the-art methods.

Simulations of complex physical systems are typically realized by discretizing partial differential equations (PDEs) on unstructured meshes. While neural networks have recently been explored for the surrogate and reduced order modeling of PDE solutions, they often ignore interactions or hierarchical relations between input features, and process them as concatenated mixtures. We generalize the idea of conditional parameterization -- using trainable functions of input parameters to generate the weights of a neural network, and extend them in a flexible way to encode critical information. Inspired by discretized numerical methods, choices of the parameters include physical quantities and mesh topology features. The functional relation between the modeled features and the parameters is built into the network architecture. The method is implemented on different networks and applied to frontier scientific machine learning tasks including the discovery of unmodeled physics, super-resolution of coarse fields, and the simulation of unsteady flows with chemical reactions. The results show that the conditionally-parameterized networks provide superior performance compared to their traditional counterparts. The CP-GNet - an architecture that can be trained on very few data snapshots - is proposed as the first deep learning model capable of standalone prediction of reacting flows on irregular meshes.

Query embedding (QE)---which aims to embed entities and first-order logical (FOL) queries in low-dimensional spaces---has shown great power in multi-hop reasoning over knowledge graphs. Recently, embedding entities and queries with geometric shapes becomes a promising direction, as geometric shapes can naturally represent answer sets of queries and logical relationships among them. However, existing geometry-based models have difficulty in modeling queries with negation, which significantly limits their applicability. To address this challenge, we propose a novel query embedding model, namely \textbf{Con}e \textbf{E}mbeddings (ConE), which is the first geometry-based QE model that can handle all the FOL operations, including conjunction, disjunction, and negation. Specifically, ConE represents entities and queries as Cartesian products of two-dimensional cones, where the intersection and union of cones naturally model the conjunction and disjunction operations. By further noticing that the closure of complement of cones remains cones, we design geometric complement operators in the embedding space for the negation operations. Experiments demonstrate that ConE significantly outperforms existing state-of-the-art methods on benchmark datasets.

Modularity is a compelling solution to continual learning (CL), the problem of modeling sequences of related tasks. Learning and then composing modules to solve different tasks provides an abstraction to address the principal challenges of CL including catastrophic forgetting, backward and forward transfer across tasks, and sub-linear model growth. We introduce local module composition (LMC), an approach to modular CL where each module is provided a local structural component that estimates a module’s relevance to the input. Dynamic module composition is performed layer-wise based on local relevance scores. We demonstrate that agnosticity to task identities (IDs) arises from (local) structural learning that is module-specific as opposed to the task- and/or model-specific as in previous works, making LMC applicable to more CL settings compared to previous works. In addition, LMC also tracks statistics about the input distribution and adds new modules when outlier samples are detected. In the first set of experiments, LMC performs favorably compared to existing methods on the recent Continual Transfer-learning Benchmark without requiring task identities. In another study, we show that the locality of structural learning allows LMC to interpolate to related but unseen tasks (OOD), as well as to compose modular networks trained independently on different …

As large-scale language model pretraining pushes the state-of-the-art in text generation, recent work has turned to controlling attributes of the text such models generate. While modifying the pretrained models via fine-tuning remains the popular approach, it incurs a significant computational cost and can be infeasible due to a lack of appropriate data. As an alternative, we propose \textsc{MuCoCO}---a flexible and modular algorithm for controllable inference from pretrained models. We formulate the decoding process as an optimization problem that allows for multiple attributes we aim to control to be easily incorporated as differentiable constraints. By relaxing this discrete optimization to a continuous one, we make use of Lagrangian multipliers and gradient-descent-based techniques to generate the desired text. We evaluate our approach on controllable machine translation and style transfer with multiple sentence-level attributes and observe significant improvements over baselines.

Training models with discrete latent variables is challenging due to the high variance of unbiased gradient estimators. While low-variance reparameterization gradients of a continuous relaxation can provide an effective solution, a continuous relaxation is not always available or tractable. Dong et al. (2020) and Yin et al. (2020) introduced a performant estimator that does not rely on continuous relaxations; however, it is limited to binary random variables. We introduce a novel derivation of their estimator based on importance sampling and statistical couplings, which we extend to the categorical setting. Motivated by the construction of a stick-breaking coupling, we introduce gradient estimators based on reparameterizing categorical variables as sequences of binary variables and Rao-Blackwellization. In systematic experiments, we show that our proposed categorical gradient estimators provide state-of-the-art performance, whereas even with additional Rao-Blackwellization previous estimators (Yin et al., 2019) underperform a simpler REINFORCE with a leave-one-out-baseline estimator (Kool et al., 2019).

Training generative adversarial networks (GANs) with limited real image data generally results in deteriorated performance and collapsed models. To conquer this challenge, we are inspired by the latest observation, that one can discover independently trainable and highly sparse subnetworks (a.k.a., lottery tickets) from GANs. Treating this as an inductive prior, we suggest a brand-new angle towards data-efficient GAN training: by first identifying the lottery ticket from the original GAN using the small training set of real images; and then focusing on training that sparse subnetwork by re-using the same set. We find our coordinated framework to offer orthogonal gains to existing real image data augmentation methods, and we additionally present a new feature-level augmentation that can be applied together with them. Comprehensive experiments endorse the effectiveness of our proposed framework, across various GAN architectures (SNGAN, BigGAN, and StyleGAN-V2) and diverse datasets (CIFAR-10, CIFAR-100, Tiny-ImageNet, ImageNet, and multiple few-shot generation datasets). Codes are available at: https://github.com/VITA-Group/Ultra-Data-Efficient-GAN-Training.

Unlike standard prediction tasks, survival analysis requires modeling right censored data, which must be treated with care. While deep neural networks excel in traditional supervised learning, it remains unclear how to best utilize these models in survival analysis. A key question asks which data-generating assumptions of traditional survival models should be retained and which should be made more flexible via the function-approximating capabilities of neural networks. Rather than estimating the survival function targeted by most existing methods, we introduce a Deep Extended Hazard (DeepEH) model to provide a flexible and general framework for deep survival analysis. The extended hazard model includes the conventional Cox proportional hazards and accelerated failure time models as special cases, so DeepEH subsumes the popular Deep Cox proportional hazard (DeepSurv) and Deep Accelerated Failure Time (DeepAFT) models. We additionally provide theoretical support for the proposed DeepEH model by establishing consistency and convergence rate of the survival function estimator, which underscore the attractive feature that deep learning is able to detect low-dimensional structure of data in high-dimensional space. Numerical experiments also provide evidence that the proposed methods outperform existing statistical and deep learning approaches to survival analysis.

Factor analysis methods have been widely used in neuroimaging to transfer high dimensional imaging data into low dimensional, ideally interpretable representations. However, most of these methods overlook the highly nonlinear and complex temporal dynamics of neural processes when factorizing their imaging data. In this paper, we present deep Markov factor analysis (DMFA), a generative model that employs Markov property in a chain of low dimensional temporal embeddings together with spatial inductive assumptions, all related through neural networks, to capture temporal dynamics in functional magnetic resonance imaging (fMRI) data, and tackle their high spatial dimensionality, respectively. Augmented with a discrete latent, DMFA is able to cluster fMRI data in its low dimensional temporal embedding with regard to subject and cognitive state variability, therefore, enables validation of a variety of fMRI-driven neuroscientific hypotheses. Experimental results on both synthetic and real fMRI data demonstrate the capacity of DMFA in revealing interpretable clusters and capturing nonlinear temporal dependencies in these high dimensional imaging data.

Features extracted from deep layers of classification networks are widely used as image descriptors. Here, we exploit an unexplored property of these features: their internal dissimilarity. While small image patches are known to have similar statistics across image scales, it turns out that the internal distribution of deep features varies distinctively between scales. We show how this deep self dissimilarity (DSD) property can be used as a powerful visual fingerprint. Particularly, we illustrate that full-reference and no-reference image quality measures derived from DSD are highly correlated with human preference. In addition, incorporating DSD as a loss function in training of image restoration networks, leads to results that are at least as photo-realistic as those obtained by GAN based methods, while not requiring adversarial training.

Extracting temporal relationships over a range of scales is a hallmark ofhuman perception and cognition---and thus it is a critical feature of machinelearning applied to real-world problems. Neural networks are either plaguedby the exploding/vanishing gradient problem in recurrent neural networks(RNNs) or must adjust their parameters to learn the relevant time scales(e.g., in LSTMs). This paper introduces DeepSITH, a deep network comprisingbiologically-inspired Scale-Invariant Temporal History (SITH) modules inseries with dense connections between layers. Each SITH module is simply aset of time cells coding what happened when with a geometrically-spaced set oftime lags. The dense connections between layers change the definition of whatfrom one layer to the next. The geometric series of time lags implies thatthe network codes time on a logarithmic scale, enabling DeepSITH network tolearn problems requiring memory over a wide range of time scales. We compareDeepSITH to LSTMs and other recent RNNs on several time series prediction anddecoding tasks. DeepSITH achieves results comparable to state-of-the-artperformance on these problems and continues to perform well even as the delaysare increased.

BinaryConnect (BC) and its many variations have become the de facto standard for neural network quantization. However, our understanding of the inner workings of BC is still quite limited. We attempt to close this gap in four different aspects: (a) we show that existing quantization algorithms, including post-training quantization, are surprisingly similar to each other; (b) we argue for proximal maps as a natural family of quantizers that is both easy to design and analyze; (c) we refine the observation that BC is a special case of dual averaging, which itself is a special case of the generalized conditional gradient algorithm; (d) consequently, we propose ProxConnect (PC) as a generalization of BC and we prove its convergence properties by exploiting the established connections. We conduct experiments on CIFAR-10 and ImageNet, and verify that PC achieves competitive performance.

Direct policy search serves as one of the workhorses in modern reinforcement learning (RL), and its applications in continuous control tasks have recently attracted increasing attention. In this work, we investigate the convergence theory of policy gradient (PG) methods for learning the linear risk-sensitive and robust controller. In particular, we develop PG methods that can be implemented in a derivative-free fashion by sampling system trajectories, and establish both global convergence and sample complexity results in the solutions of two fundamental settings in risk-sensitive and robust control: the finite-horizon linear exponential quadratic Gaussian, and the finite-horizon linear-quadratic disturbance attenuation problems. As a by-product, our results also provide the first sample complexity for the global convergence of PG methods on solving zero-sum linear-quadratic dynamic games, a nonconvex-nonconcave minimax optimization problem that serves as a baseline setting in multi-agent reinforcement learning (MARL) with continuous spaces. One feature of our algorithms is that during the learning phase, a certain level of robustness/risk-sensitivity of the controller is preserved, which we termed as the implicit regularization property, and is an essential requirement in safety-critical control systems.

When a deep learning model is deployed in the wild, it can encounter test data drawn from distributions different from the training data distribution and suffer drop in performance. For safe deployment, it is essential to estimate the accuracy of the pre-trained model on the test data. However, the labels for the test inputs are usually not immediately available in practice, and obtaining them can be expensive. This observation leads to two challenging tasks: (1) unsupervised accuracy estimation, which aims to estimate the accuracy of a pre-trained classifier on a set of unlabeled test inputs; (2) error detection, which aims to identify mis-classified test inputs. In this paper, we propose a principled and practically effective framework that simultaneously addresses the two tasks. The proposed framework iteratively learns an ensemble of models to identify mis-classified data points and performs self-training to improve the ensemble with the identified points. Theoretical analysis demonstrates that our framework enjoys provable guarantees for both accuracy estimation and error detection under mild conditions readily satisfied by practical deep learning models. Along with the framework, we proposed and experimented with two instantiations and achieved state-of-the-art results on 59 tasks. For example, on iWildCam, one instantiation reduces the estimation …

Most of the existing GNNs can be modeled via the Uniform Message Passing framework. This framework considers all the attributes of each node in its entirety, shares the uniform propagation weights along each edge, and focuses on the uniform weight learning. The design of this framework possesses two prerequisites, the simplification of homophily and heterophily to the node-level property and the ignorance of attribute differences. Unfortunately, different attributes possess diverse characteristics. In this paper, the network homophily rate defined with respect to the node labels is extended to attribute homophily rate by taking the attributes as weak labels. Based on this attribute homophily rate, we propose a Diverse Message Passing (DMP) framework, which specifies every attribute propagation weight on each edge. Besides, we propose two specific strategies to significantly reduce the computational complexity of DMP to prevent the overfitting issue. By investigating the spectral characteristics, existing spectral GNNs are actually equivalent to a degenerated version of DMP. From the perspective of numerical optimization, we provide a theoretical analysis to demonstrate DMP's powerful representation ability and the ability of alleviating the over-smoothing issue. Evaluations on various real networks demonstrate the superiority of our DMP on handling the networks with heterophily and …

We introduce Dynaboard, an evaluation-as-a-service framework for hosting benchmarks and conducting holistic model comparison, integrated with the Dynabench platform. Our platform evaluates NLP models directly instead of relying on self-reported metrics or predictions on a single dataset. Under this paradigm, models are submitted to be evaluated in the cloud, circumventing the issues of reproducibility, accessibility, and backwards compatibility that often hinder benchmarking in NLP. This allows users to interact with uploaded models in real time to assess their quality, and permits the collection of additional metrics such as memory use, throughput, and robustness, which -- despite their importance to practitioners -- have traditionally been absent from leaderboards. On each task, models are ranked according to the Dynascore, a novel utility-based aggregation of these statistics, which users can customize to better reflect their preferences, placing more/less weight on a particular axis of evaluation or dataset. As state-of-the-art NLP models push the limits of traditional benchmarks, Dynaboard offers a standardized solution for a more diverse and comprehensive evaluation of model quality.

Active learning sequentially selects the best instance for labeling by optimizing an acquisition function to enhance data/label efficiency. The selection can be either from a discrete instance set (pool-based scenario) or a continuous instance space (query synthesis scenario). In this work, we study both active learning scenarios for Gaussian Process Classification (GPC). The existing active learning strategies that maximize the Estimated Error Reduction (EER) aim at reducing the classification error after training with the new acquired instance in a one-step-look-ahead manner. The computation of EER-based acquisition functions is typically prohibitive as it requires retraining the GPC with every new query. Moreover, as the EER is not smooth, it can not be combined with gradient-based optimization techniques to efficiently explore the continuous instance space for query synthesis. To overcome these critical limitations, we develop computationally efficient algorithms for EER-based active learning with GPC. We derive the joint predictive distribution of label pairs as a one-dimensional integral, as a result of which the computation of the acquisition function avoids retraining the GPC for each query, remarkably reducing the computational overhead. We also derive the gradient chain rule to efficiently calculate the gradient of the acquisition function, which leads to the first query …

We propose a new discretization of the mirror-Langevin diffusion and give a crisp proof of its convergence. Our analysis uses relative convexity/smoothness and self-concordance, ideas which originated in convex optimization, together with a new result in optimal transport that generalizes the displacement convexity of the entropy. Unlike prior works, our result both (1) requires much weaker assumptions on the mirror map and the target distribution, and (2) has vanishing bias as the step size tends to zero. In particular, for the task of sampling from a log-concave distribution supported on a compact set, our theoretical results are significantly better than the existing guarantees.

Recent advances in deep neural networks allowed artificial agents to derive their own emergent languages that promote interaction, coordination, and collaboration within a group. Just as we humans have succeeded in creating a shared language that allows us to interact within a large group, can the emergent communication within an artificial group converge to a shared, agreed language? This research provides an analytical study of the shared emergent language within the group communication settings of different sizes and connectivities. As the group size increases up to hundreds, agents start to speak dissimilar languages, but the rate at which they successfully communicate is maintained. We observe the emergence of different dialects when we restrict the group communication to have local connectivities only. Finally, we provide optimization results of group communication graphs when the number of agents one can communicate with is restricted or when we penalize communication between distant agent pairs. The optimized communication graphs show superior communication success rates compared to graphs with same number of links as well as the emergence of hub nodes and scale-free networks.

Neural agents trained in reinforcement learning settings can learn to communicate among themselves via discrete tokens, accomplishing as a team what agents would be unable to do alone. However, the current standard of using one-hot vectors as discrete communication tokens prevents agents from acquiring more desirable aspects of communication such as zero-shot understanding. Inspired by word embedding techniques from natural language processing, we propose neural agent architectures that enables them to communicate via discrete tokens derived from a learned, continuous space. We show in a decision theoretic framework that our technique optimizes communication over a wide range of scenarios, whereas one-hot tokens are only optimal under restrictive assumptions. In self-play experiments, we validate that our trained agents learn to cluster tokens in semantically-meaningful ways, allowing them communicate in noisy environments where other techniques fail. Lastly, we demonstrate both that agents using our method can effectively respond to novel human communication and that humans can understand unlabeled emergent agent communication, outperforming the use of one-hot communication.

The first order derivative of a data density can be estimated efficiently by denoising score matching, and has become an important component in many applications, such as image generation and audio synthesis. Higher order derivatives provide additional local information about the data distribution and enable new applications. Although they can be estimated via automatic differentiation of a learned density model, this can amplify estimation errors and is expensive in high dimensional settings. To overcome these limitations, we propose a method to directly estimate high order derivatives (scores) of a data density from samples. We first show that denoising score matching can be interpreted as a particular case of Tweedie’s formula. By leveraging Tweedie’s formula on higher order moments, we generalize denoising score matching to estimate higher order derivatives. We demonstrate empirically that models trained with the proposed method can approximate second order derivatives more efficiently and accurately than via automatic differentiation. We show that our models can be used to quantify uncertainty in denoising and to improve the mixing speed of Langevin dynamics via Ozaki discretization for sampling synthetic data and natural images.

Many applications of generative models rely on the marginalization of their high-dimensional output probability distributions. Normalization functions that yield sparse probability distributions can make exact marginalization more computationally tractable. However, sparse normalization functions usually require alternative loss functions for training since the log-likelihood is undefined for sparse probability distributions. Furthermore, many sparse normalization functions often collapse the multimodality of distributions. In this work, we present ev-softmax, a sparse normalization function that preserves the multimodality of probability distributions. We derive its properties, including its gradient in closed-form, and introduce a continuous family of approximations to ev-softmax that have full support and can be trained with probabilistic loss functions such as negative log-likelihood and Kullback-Leibler divergence. We evaluate our method on a variety of generative models, including variational autoencoders and auto-regressive architectures. Our method outperforms existing dense and sparse normalization techniques in distributional accuracy. We demonstrate that ev-softmax successfully reduces the dimensionality of probability distributions while maintaining multimodality.

Social recommendation has shown promising improvements over traditional systems since it leverages social correlation data as an additional input. Most existing work assumes that all data are available to the recommendation platform. However, in practice, user-item interaction data (e.g.,rating) and user-user social data are usually generated by different platforms, and both of which contain sensitive information. Therefore, "How to perform secure and efficient social recommendation across different platforms, where the data are highly-sparse in nature" remains an important challenge. In this work, we bring secure computation techniques into social recommendation, and propose S3Rec, a sparsity-aware secure cross-platform social recommendation framework. As a result, our model can not only improve the recommendation performance of the rating platform by incorporating the sparse social data on the social platform, but also protect data privacy of both platforms. Moreover, to further improve model training efficiency, we propose two secure sparse matrix multiplication protocols based on homomorphic encryption and private information retrieval. Our experiments on two benchmark datasets demonstrate the effectiveness of S3Rec.

Federated learning (FL) coordinates with numerous heterogeneous devices to collaboratively train a shared model while preserving user privacy. Despite its multiple advantages, FL faces new challenges. One challenge arises when devices drop out of the training process. In this case, the convergence of popular FL algorithms such as FedAvg is severely influenced by the straggling devices. To tackle this challenge, we study federated learning algorithms in the presence of arbitrary device unavailability and propose an algorithm named Memory-augmented Impatient Federated Averaging (MIFA). Our algorithm efficiently avoids excessive latency induced by inactive devices, and corrects the gradient bias using the memorized latest updates from them. We prove that MIFA achieves minimax optimal convergence rates on non-i.i.d. data for both strongly convex and non-convex smooth functions. We also provide an explicit characterization of the improvement over baseline algorithms through a case study, and validate the results by numerical experiments on real-world datasets.

Fine-grained zero-shot learning task requires some form of side-information to transfer discriminative information from seen to unseen classes. As manually annotated visual attributes are extremely costly and often impractical to obtain for a large number of classes, in this study we use DNA as a side information for the first time for fine-grained zero-shot classification of species. Mitochondrial DNA plays an important role as a genetic marker in evolutionary biology and has been used to achieve near perfect accuracy in species classification of living organisms. We implement a simple hierarchical Bayesian model that uses DNA information to establish the hierarchy in the image space and employs local priors to define surrogate classes for unseen ones. On the benchmark CUB dataset we show that DNA can be equally promising, yet in general a more accessible alternative than word vectors as a side information. This is especially important as obtaining robust word representations for fine-grained species names is not a practicable goal when information about these species in free-form text is limited. On a newly compiled fine-grained insect dataset that uses DNA information from over a thousand species we show that the Bayesian approach outperforms state-of-the-art by a wide margin.

Temporal abstraction in reinforcement learning (RL), offers the promise of improving generalization and knowledge transfer in complex environments, by propagating information more efficiently over time. Although option learning was initially formulated in a way that allows updating many options simultaneously, using off-policy, intra-option learning (Sutton, Precup & Singh, 1999) , many of the recent hierarchical reinforcement learning approaches only update a single option at a time: the option currently executing. We revisit and extend intra-option learning in the context of deep reinforcement learning, in order to enable updating all options consistent with current primitive action choices, without introducing any additional estimates. Our method can therefore be naturally adopted in most hierarchical RL frameworks. When we combine our approach with the option-critic algorithm for option discovery, we obtain significant improvements in performance and data-efficiency across a wide variety of domains.

Federated learning (FL) is a popular distributed learning framework that trains a global model through iterative communications between a central server and edge devices. Recent works have demonstrated that FL is vulnerable to model poisoning attacks. Several server-based defense approaches (e.g. robust aggregation), have been proposed to mitigate such attacks. However, we empirically show that under extremely strong attacks, these defensive methods fail to guarantee the robustness of FL. More importantly, we observe that as long as the global model is polluted, the impact of attacks on the global model will remain in subsequent rounds even if there are no subsequent attacks. In this work, we propose a client-based defense, named White Blood Cell for Federated Learning (FL-WBC), which can mitigate model poisoning attacks that have already polluted the global model. The key idea of FL-WBC is to identify the parameter space where long-lasting attack effect on parameters resides and perturb that space during local training. Furthermore, we derive a certified robustness guarantee against model poisoning attacks and a convergence guarantee to FedAvg after applying our FL-WBC. We conduct experiments on FasionMNIST and CIFAR10 to evaluate the defense against state-of-the-art model poisoning attacks. The results demonstrate that our method can …

Recently, Vision Transformer and its variants have shown great promise on various computer vision tasks. The ability to capture local and global visual dependencies through self-attention is the key to its success. But it also brings challenges due to quadratic computational overhead, especially for the high-resolution vision tasks(e.g., object detection). Many recent works have attempted to reduce the cost and improve model performance by applying either coarse-grained global attention or fine-grained local attention. However, both approaches cripple the modeling power of the original self-attention mechanism of multi-layer Transformers, leading to sub-optimal solutions. In this paper, we present focal attention, a new attention mechanism that incorporates both fine-grained local and coarse-grained global interactions. In this new mechanism, each token attends its closest surrounding tokens at the fine granularity and the tokens far away at a coarse granularity and thus can capture both short- and long-range visual dependencies efficiently and effectively. With focal attention, we propose a new variant of Vision Transformer models, called Focal Transformers, which achieve superior performance over the state-of-the-art (SoTA) Vision Transformers on a range of public image classification and object detection benchmarks. In particular, our Focal Transformer models with a moderate size of 51.1M and a large …

Hierarchical Bayesian methods enable information sharing across regression problems on multiple groups of data. While standard practice is to model regression parameters (effects) as (1) exchangeable across the groups and (2) correlated to differing degrees across covariates, we show that this approach exhibits poor statistical performance when the number of covariates exceeds the number of groups. For instance, in statistical genetics, we might regress dozens of traits (defining groups) for thousands of individuals (responses) on up to millions of genetic variants (covariates). When an analyst has more covariates than groups, we argue that it is often preferable to instead model effects as (1) exchangeable across covariates and (2) correlated to differing degrees across groups. To this end, we propose a hierarchical model expressing our alternative perspective. We devise an empirical Bayes estimator for learning the degree of correlation between groups. We develop theory that demonstrates that our method outperforms the classic approach when the number of covariates dominates the number of groups, and corroborate this result empirically on several high-dimensional multiple regression and classification problems.

We formulate the continual learning (CL) problem via dynamic programming and model the trade-off between catastrophic forgetting and generalization as a two-player sequential game. In this approach, player 1 maximizes the cost due to lack of generalization whereas player 2 minimizes the cost due to catastrophic forgetting. We show theoretically that a balance point between the two players exists for each task and that this point is stable (once the balance is achieved, the two players stay at the balance point). Next, we introduce balanced continual learning (BCL), which is designed to attain balance between generalization and forgetting and empirically demonstrate that BCL is comparable to or better than the state of the art.

A Forster transform is an operation that turns a multivariate distribution into one with good anti-concentration properties. While a Forster transform does not always exist, we show that any distribution can be efficiently decomposed as a disjoint mixture of few distributions for which a Forster transform exists and can be computed efficiently. As the main application of this result, we obtain the first polynomial-time algorithm for distribution-independent PAC learning of halfspaces in the Massart noise model with strongly polynomial sample complexity, i.e., independent of the bit complexity of the examples. Previous algorithms for this learning problem incurred sample complexity scaling polynomially with the bit complexity, even though such a dependence is not information-theoretically necessary.

Attention mechanism has shown great performance and efficiency in a lot of deep learning models, in which relative position encoding plays a crucial role. However, when introducing attention to manifolds, there is no canonical local coordinate system to parameterize neighborhoods. To address this issue, we propose an equivariant transformer to make our model agnostic to the orientation of local coordinate systems (\textit{i.e.}, gauge equivariant), which employs multi-head self-attention to jointly incorporate both position-based and content-based information. To enhance expressive ability, we adopt regular field of cyclic groups as feature fields in intermediate layers, and propose a novel method to parallel transport the feature vectors in these fields. In addition, we project the position vector of each point onto its local coordinate system to disentangle the orientation of the coordinate system in ambient space (\textit{i.e.}, global coordinate system), achieving rotation invariance. To the best of our knowledge, we are the first to introduce gauge equivariance to self-attention, thus name our model Gauge Equivariant Transformer (GET), which can be efficiently implemented on triangle meshes. Extensive experiments show that GET achieves state-of-the-art performance on two common recognition tasks.

(Distributionally) robust optimization has gained momentum in machine learning community recently, due to its promising applications in developing generalizable learning paradigms. In this paper, we derive generalization bounds for robust optimization and Wasserstein robust optimization for Lipschitz and piecewise Hölder smooth loss functions under both stochastic and adversarial setting, assuming that the underlying data distribution satisfies transportation-information inequalities. The proofs are built on new generalization bounds for variation regularization (such as Lipschitz or gradient regularization) and its connection with robustness.

There is an increasing need for effective active learning algorithms that are compatible with deep neural networks. This paper motivates and revisits a classic, Fisher-based active selection objective, and proposes BAIT, a practical, tractable, and high-performing algorithm that makes it viable for use with neural models. BAIT draws inspiration from the theoretical analysis of maximum likelihood estimators (MLE) for parametric models. It selects batches of samples by optimizing a bound on the MLE error in terms of the Fisher information, which we show can be implemented efficiently at scale by exploiting linear-algebraic structure especially amenable to execution on modern hardware. Our experiments demonstrate that BAIT outperforms the previous state of the art on both classification and regression problems, and is flexible enough to be used with a variety of model architectures.

We explore task-free continual learning (CL), in which a model is trained to avoid catastrophic forgetting in the absence of explicit task boundaries or identities. Among many efforts on task-free CL, a notable family of approaches are memory-based that store and replay a subset of training examples. However, the utility of stored seen examples may diminish over time since CL models are continually updated. Here, we propose Gradient based Memory EDiting (GMED), a framework for editing stored examples in continuous input space via gradient updates, in order to create more "challenging" examples for replay. GMED-edited examples remain similar to their unedited forms, but can yield increased loss in the upcoming model updates, thereby making the future replays more effective in overcoming catastrophic forgetting. By construction, GMED can be seamlessly applied in conjunction with other memory-based CL algorithms to bring further improvement. Experiments validate the effectiveness of GMED, and our best method significantly outperforms baselines and previous state-of-the-art on five out of six datasets.

The generalization mystery of overparametrized deep nets has motivated efforts to understand how gradient descent (GD) converges to low-loss solutions that generalize well. Real-life neural networks are initialized from small random values and trained with cross-entropy loss for classification (unlike the "lazy" or "NTK" regime of training where analysis was more successful), and a recent sequence of results (Lyu and Li, 2020; Chizat and Bach, 2020; Ji and Telgarsky, 2020) provide theoretical evidence that GD may converge to the "max-margin" solution with zero loss, which presumably generalizes well. However, the global optimality of margin is proved only in some settings where neural nets are infinitely or exponentially wide. The current paper is able to establish this global optimality for two-layer Leaky ReLU nets trained with gradient flow on linearly separable and symmetric data, regardless of the width. The analysis also gives some theoretical justification for recent empirical findings (Kalimeris et al., 2019) on the so-called simplicity bias of GD towards linear or other "simple" classes of solutions, especially early in training. On the pessimistic side, the paper suggests that such results are fragile. A simple data manipulation can make gradient flow converge to a linear classifier with suboptimal margin.

Noisy labels are inevitable in large real-world datasets. In this work, we explore an area understudied by previous works --- how the network's architecture impacts its robustness to noisy labels. We provide a formal framework connecting the robustness of a network to the alignments between its architecture and target/noise functions. Our framework measures a network's robustness via the predictive power in its representations --- the test performance of a linear model trained on the learned representations using a small set of clean labels. We hypothesize that a network is more robust to noisy labels if its architecture is more aligned with the target function than the noise. To support our hypothesis, we provide both theoretical and empirical evidence across various neural network architectures and different domains. We also find that when the network is well-aligned with the target function, its predictive power in representations could improve upon state-of-the-art (SOTA) noisy-label-training methods in terms of test accuracy and even outperform sophisticated methods that use clean labels.

We present a High-Resolution Transformer (HRFormer) that learns high-resolution representations for dense prediction tasks, in contrast to the original Vision Transformer that produces low-resolution representations and has high memory and computational cost. We take advantage of the multi-resolution parallel design introduced in high-resolution convolutional networks (HRNet [45]), along with local-window self-attention that performs self-attention over small non-overlapping image windows [21], for improving the memory and computation efficiency. In addition, we introduce a convolution into the FFN to exchange information across the disconnected image windows. We demonstrate the effectiveness of the HighResolution Transformer on both human pose estimation and semantic segmentation tasks, e.g., HRFormer outperforms Swin transformer [27] by 1.3 AP on COCO pose estimation with 50% fewer parameters and 30% fewer FLOPs. Code is available at: https://github.com/HRNet/HRFormer

Learned Iterative Shrinkage-Thresholding Algorithm (LISTA) introduces the concept of unrolling an iterative algorithm and training it like a neural network. It has had great success on sparse recovery. In this paper, we show that adding momentum to intermediate variables in the LISTA network achieves a better convergence rate and, in particular, the network with instance-optimal parameters is superlinearly convergent. Moreover, our new theoretical results lead to a practical approach of automatically and adaptively calculating the parameters of a LISTA network layer based on its previous layers. Perhaps most surprisingly, such an adaptive-parameter procedure reduces the training of LISTA to tuning only three hyperparameters from data: a new record set in the context of the recent advances on trimming down LISTA complexity. We call this new ultra-light weight network HyperLISTA. Compared to state-of-the-art LISTA models, HyperLISTA achieves almost the same performance on seen data distributions and performs better when tested on unseen distributions (specifically, those with different sparsity levels and nonzero magnitudes). Code is available: https://github.com/VITA-Group/HyperLISTA.

We introduce a generic template for developing regret minimization algorithms in the Stochastic Shortest Path (SSP) model, which achieves minimax optimal regret as long as certain properties are ensured. The key of our analysis is a new technique called implicit finite-horizon approximation, which approximates the SSP model by a finite-horizon counterpart only in the analysis without explicit implementation. Using this template, we develop two new algorithms: the first one is model-free (the first in the literature to our knowledge) and minimax optimal under strictly positive costs; the second one is model-based and minimax optimal even with zero-cost state-action pairs, matching the best existing result from [Tarbouriech et al., 2021b]. Importantly, both algorithms admit highly sparse updates, making them computationally more efficient than all existing algorithms. Moreover, both can be made completely parameter-free.

In this paper, we provide theoretical results of estimation bounds and excess risk upper bounds for support vector machine (SVM) with sparse multi-kernel representation. These convergence rates for multi-kernel SVM are established by analyzing a Lasso-type regularized learning scheme within composite multi-kernel spaces. It is shown that the oracle rates of convergence of classifiers depend on the complexity of multi-kernels, the sparsity, a Bernstein condition and the sample size, which significantly improves on previous results even for the additive or linear cases. In summary, this paper not only provides unified theoretical results for multi-kernel SVMs, but also enriches the literature on high-dimensional nonparametric classification.

The generalization ability of most meta-reinforcement learning (meta-RL) methods is largely limited to test tasks that are sampled from the same distribution used to sample training tasks. To overcome the limitation, we propose Latent Dynamics Mixture (LDM) that trains a reinforcement learning agent with imaginary tasks generated from mixtures of learned latent dynamics. By training a policy on mixture tasks along with original training tasks, LDM allows the agent to prepare for unseen test tasks during training and prevents the agent from overfitting the training tasks. LDM significantly outperforms standard meta-RL methods in test returns on the gridworld navigation and MuJoCo tasks where we strictly separate the training task distribution and the test task distribution.

To promote better performance-bandwidth trade-off for multi-agent perception, we propose a novel distilled collaboration graph (DiscoGraph) to model trainable, pose-aware, and adaptive collaboration among agents. Our key novelties lie in two aspects. First, we propose a teacher-student framework to train DiscoGraph via knowledge distillation. The teacher model employs an early collaboration with holistic-view inputs; the student model is based on intermediate collaboration with single-view inputs. Our framework trains DiscoGraph by constraining post-collaboration feature maps in the student model to match the correspondences in the teacher model. Second, we propose a matrix-valued edge weight in DiscoGraph. In such a matrix, each element reflects the inter-agent attention at a specific spatial region, allowing an agent to adaptively highlight the informative regions. During inference, we only need to use the student model named as the distilled collaboration network (DiscoNet). Attributed to the teacher-student framework, multiple agents with the shared DiscoNet could collaboratively approach the performance of a hypothetical teacher model with a holistic view. Our approach is validated on V2X-Sim 1.0, a large-scale multi-agent perception dataset that we synthesized using CARLA and SUMO co-simulation. Our quantitative and qualitative experiments in multi-agent 3D object detection show that DiscoNet could not only achieve a better …

Functional connectivity (FC) between regions of the brain can be assessed by the degree of temporal correlation measured with functional neuroimaging modalities. Based on the fact that these connectivities build a network, graph-based approaches for analyzing the brain connectome have provided insights into the functions of the human brain. The development of graph neural networks (GNNs) capable of learning representation from graph structured data has led to increased interest in learning the graph representation of the brain connectome. Although recent attempts to apply GNN to the FC network have shown promising results, there is still a common limitation that they usually do not incorporate the dynamic characteristics of the FC network which fluctuates over time. In addition, a few studies that have attempted to use dynamic FC as an input for the GNN reported a reduction in performance compared to static FC methods, and did not provide temporal explainability. Here, we propose STAGIN, a method for learning dynamic graph representation of the brain connectome with spatio-temporal attention. Specifically, a temporal sequence of brain graphs is input to the STAGIN to obtain the dynamic graph representation, while novel READOUT functions and the Transformer encoder provide spatial and temporal explainability with attention, …

We propose a novel knowledge distillation approach to facilitate the transfer of dark knowledge from a teacher to a student. Contrary to most of the existing methods that rely on effective training of student models given pretrained teachers, we aim to learn the teacher models that are friendly to students and, consequently, more appropriate for knowledge transfer. In other words, at the time of optimizing a teacher model, the proposed algorithm learns the student branches jointly to obtain student-friendly representations. Since the main goal of our approach lies in training teacher models and the subsequent knowledge distillation procedure is straightforward, most of the existing knowledge distillation methods can adopt this technique to improve the performance of diverse student models in terms of accuracy and convergence speed. The proposed algorithm demonstrates outstanding accuracy in several well-known knowledge distillation techniques with various combinations of teacher and student models even in the case that their architectures are heterogeneous and there is no prior knowledge about student models at the time of training teacher networks

We study the problem of estimating at a central server the mean of a set of vectors distributed across several nodes (one vector per node). When the vectors are high-dimensional, the communication cost of sending entire vectors may be prohibitive, and it may be imperative for them to use sparsification techniques. While most existing work on sparsified mean estimation is agnostic to the characteristics of the data vectors, in many practical applications such as federated learning, there may be spatial correlations (similarities in the vectors sent by different nodes) or temporal correlations (similarities in the data sent by a single node over different iterations of the algorithm) in the data vectors. We leverage these correlations by simply modifying the decoding method used by the server to estimate the mean. We provide an analysis of the resulting estimation error as well as experiments for PCA, K-Means and Logistic Regression, which show that our estimators consistently outperform more sophisticated and expensive sparsification methods.

Soft-argmax operation is commonly adopted in detection-based methods to localize the target position in a differentiable manner. However, training the neural network with soft-argmax makes the shape of the probability map unconstrained. Consequently, the model lacks pixel-wise supervision through the map during training, leading to performance degradation. In this work, we propose sampling-argmax, a differentiable training method that imposes implicit constraints to the shape of the probability map by minimizing the expectation of the localization error. To approximate the expectation, we introduce a continuous formulation of the output distribution and develop a differentiable sampling process. The expectation can be approximated by calculating the average error of all samples drawn from the output distribution. We show that sampling-argmax can seamlessly replace the conventional soft-argmax operation on various localization tasks. Comprehensive experiments demonstrate the effectiveness and flexibility of the proposed method. Code is available at https://github.com/Jeff-sjtu/sampling-argmax

Crucial for building trust in deep learning models for critical real-world applications is efficient and theoretically sound uncertainty quantification, a task that continues to be challenging. Useful uncertainty information is expected to have two key properties: It should be valid (guaranteeing coverage) and discriminative (more uncertain when the expected risk is high). Moreover, when combined with deep learning (DL) methods, it should be scalable and affect the DL model performance minimally. Most existing Bayesian methods lack frequentist coverage guarantees and usually affect model performance. The few available frequentist methods are rarely discriminative and/or violate coverage guarantees due to unrealistic assumptions. Moreover, many methods are expensive or require substantial modifications to the base neural network. Building upon recent advances in conformal prediction [13, 33] and leveraging the classical idea of kernel regression, we propose Locally Valid and Discriminative prediction intervals (LVD), a simple, efficient, and lightweight method to construct discriminative prediction intervals (PIs) for almost any DL model. With no assumptions on the data distribution, such PIs also offer finite-sample local coverage guarantees (contrasted to the simpler marginal coverage). We empirically verify, using diverse datasets, that besides being the only locally valid method for DL, LVD also exceeds or matches the …

Learning in the brain is poorly understood and learning rules that respect biological constraints, yet yield deep hierarchical representations, are still unknown. Here, we propose a learning rule that takes inspiration from neuroscience and recent advances in self-supervised deep learning. Learning minimizes a simple layer-specific loss function and does not need to back-propagate error signals within or between layers. Instead, weight updates follow a local, Hebbian, learning rule that only depends on pre- and post-synaptic neuronal activity, predictive dendritic input and widely broadcasted modulation factors which are identical for large groups of neurons. The learning rule applies contrastive predictive learning to a causal, biological setting using saccades (i.e. rapid shifts in gaze direction). We find that networks trained with this self-supervised and local rule build deep hierarchical representations of images, speech and video.

We introduce the task of spatially localizing narrated interactions in videos. Key to our approach is the ability to learn to spatially localize interactions with self-supervision on a large corpus of videos with accompanying transcribed narrations. To achieve this goal, we propose a multilayer cross-modal attention network that enables effective optimization of a contrastive loss during training. We introduce a divided strategy that alternates between computing inter- and intra-modal attention across the visual and natural language modalities, which allows effective training via directly contrasting the two modalities' representations. We demonstrate the effectiveness of our approach by self-training on the HowTo100M instructional video dataset and evaluating on a newly collected dataset of localized described interactions in the YouCook2 dataset. We show that our approach outperforms alternative baselines, including shallow co-attention and full cross-modal attention. We also apply our approach to grounding phrases in images with weak supervision on Flickr30K and show that stacking multiple attention layers is effective and, when combined with a word-to-region loss, achieves state of the art on recall-at-one and pointing hand accuracies.

How related are the representations learned by neural language models, translation models, and language tagging tasks? We answer this question by adapting an encoder-decoder transfer learning method from computer vision to investigate the structure among 100 different feature spaces extracted from hidden representations of various networks trained on language tasks.This method reveals a low-dimensional structure where language models and translation models smoothly interpolate between word embeddings, syntactic and semantic tasks, and future word embeddings. We call this low-dimensional structure a language representation embedding because it encodes the relationships between representations needed to process language for a variety of NLP tasks. We find that this representation embedding can predict how well each individual feature space maps to human brain responses to natural language stimuli recorded using fMRI. Additionally, we find that the principal dimension of this structure can be used to create a metric which highlights the brain's natural language processing hierarchy. This suggests that the embedding captures some part of the brain's natural language representation structure.

Tensor network methods have been a key ingredient of advances in condensed matter physics and have recently sparked interest in the machine learning community for their ability to compactly represent very high-dimensional objects. Tensor network methods can for example be used to efficiently learn linear models in exponentially large feature spaces [Stoudenmire and Schwab, 2016]. In this work, we derive upper and lower bounds on the VC dimension and pseudo-dimension of a large class of tensor network models for classification, regression and completion. Our upper bounds hold for linear models parameterized by arbitrary tensor network structures, and we derive lower bounds for common tensor decomposition models~(CP, Tensor Train, Tensor Ring and Tucker) showing the tightness of our general upper bound. These results are used to derive a generalization bound which can be applied to classification with low rank matrices as well as linear classifiers based on any of the commonly used tensor decomposition models. As a corollary of our results, we obtain a bound on the VC dimension of the matrix product state classifier introduced in [Stoudenmire and Schwab, 2016] as a function of the so-called bond dimension~(i.e. tensor train rank), which answers an open problem listed by Cirac, Garre-Rubio …

Machine learning is vulnerable to a wide variety of attacks. It is now well understood that by changing the underlying data distribution, an adversary can poison the model trained with it or introduce backdoors. In this paper we present a novel class of training-time attacks that require no changes to the underlying dataset or model architecture, but instead only change the order in which data are supplied to the model. In particular, we find that the attacker can either prevent the model from learning, or poison it to learn behaviours specified by the attacker. Furthermore, we find that even a single adversarially-ordered epoch can be enough to slow down model learning, or even to reset all of the learning progress. Indeed, the attacks presented here are not specific to the model or dataset, but rather target the stochastic nature of modern learning procedures. We extensively evaluate our attacks on computer vision and natural language benchmarks to find that the adversary can disrupt model training and even introduce backdoors.

This paper studies Imitation Learning from Observations alone (ILFO) where the learner is presented with expert demonstrations that consist only of states visited by an expert (without access to actions taken by the expert). We present a provably efficient model-based framework MobILE to solve the ILFO problem. MobILE involves carefully trading off exploration against imitation - this is achieved by integrating the idea of optimism in the face of uncertainty into the distribution matching imitation learning (IL) framework. We provide a unified analysis for MobILE, and demonstrate that MobILE enjoys strong performance guarantees for classes of MDP dynamics that satisfy certain well studied notions of complexity. We also show that the ILFO problem is strictly harder than the standard IL problem by reducing ILFO to a multi-armed bandit problem indicating that exploration is necessary for solving ILFO efficiently. We complement these theoretical results with experimental simulations on benchmark OpenAI Gym tasks that indicate the efficacy of MobILE. Code for implementing the MobILE framework is available at https://github.com/rahulkidambi/MobILE-NeurIPS2021.

Human mobility prediction is a core functionality in many location-based services and applications. However, due to the sparsity of mobility data, it is not an easy task to predict future POIs (place-of-interests) that are going to be visited. In this paper, we propose MobTCast, a Transformer-based context-aware network for mobility prediction. Specifically, we explore the influence of four types of context in mobility prediction: temporal, semantic, social, and geographical contexts. We first design a base mobility feature extractor using the Transformer architecture, which takes both the history POI sequence and the semantic information as input. It handles both the temporal and semantic contexts. Based on the base extractor and the social connections of a user, we employ a self-attention module to model the influence of the social context. Furthermore, unlike existing methods, we introduce a location prediction branch in MobTCast as an auxiliary task to model the geographical context and predict the next location. Intuitively, the geographical distance between the location of the predicted POI and the predicted location from the auxiliary branch should be as close as possible. To reflect this relation, we design a consistency loss to further improve the POI prediction performance. In our experimental results, MobTCast …

Transformer has been widely used for self-supervised pre-training in Natural Language Processing (NLP) and achieved great success. However, it has not been fully explored in visual self-supervised learning. Meanwhile, previous methods only consider the high-level feature and learning representation from a global perspective, which may fail to transfer to the downstream dense prediction tasks focusing on local features. In this paper, we present a novel Masked Self-supervised Transformer approach named MST, which can explicitly capture the local context of an image while preserving the global semantic information. Specifically, inspired by the Masked Language Modeling (MLM) in NLP, we propose a masked token strategy based on the multi-head self-attention map, which dynamically masks some tokens of local patches without damaging the crucial structure for self-supervised learning. More importantly, the masked tokens together with the remaining tokens are further recovered by a global image decoder, which preserves the spatial information of the image and is more friendly to the downstream dense prediction tasks. The experiments on multiple datasets demonstrate the effectiveness and generality of the proposed method. For instance, MST achieves Top-1 accuracy of 76.9% with DeiT-S only using 300-epoch pre-training by linear evaluation, which outperforms supervised methods with the same epoch …

Bayesian optimization (BO) is a sample-efficient approach to optimizing costly-to-evaluate black-box functions. Most BO methods ignore how evaluation costs may vary over the optimization domain. However, these costs can be highly heterogeneous and are often unknown in advance in many practical settings, such as hyperparameter tuning of machine learning algorithms or physics-based simulation optimization. Moreover, those few existing methods that acknowledge cost heterogeneity do not naturally accommodate a budget constraint on the total evaluation cost. This combination of unknown costs and a budget constraint introduces a new dimension to the exploration-exploitation trade-off, where learning about the cost incurs a cost itself. Existing methods do not reason about the various trade-offs of this problem in a principled way, leading often to poor performance. We formalize this claim by proving that the expected improvement and the expected improvement per unit of cost, arguably the two most widely used acquisition functions in practice, can be arbitrarily inferior with respect to the optimal non-myopic policy. To overcome the shortcomings of existing approaches, we propose the budgeted multi-step expected improvement, a non-myopic acquisition function that generalizes classical expected improvement to the setting of heterogeneous and unknown evaluation costs. We show that our acquisition function outperforms …

The Ladder of Causation describes three qualitatively different types of activities an agent may be interested in engaging in, namely, seeing (observational), doing (interventional), and imagining (counterfactual) (Pearl and Mackenzie, 2018). The inferential challenge imposed by the causal hierarchy is that data is collected by an agent observing or intervening in a system (layers 1 and 2), while its goal may be to understand what would have happened had it taken a different course of action, contrary to what factually ended up happening (layer 3). While there exists a solid understanding of the conditions under which cross-layer inferences are allowed from observations to interventions, the results are somewhat scarcer when targeting counterfactual quantities. In this paper, we study the identification of nested counterfactuals from an arbitrary combination of observations and experiments. Specifically, building on a more explicit definition of nested counterfactuals, we prove the counterfactual unnesting theorem (CUT), which allows one to map arbitrary nested counterfactuals to unnested ones. For instance, applications in mediation and fairness analysis usually evoke notions of direct, indirect, and spurious effects, which naturally require nesting. Second, we introduce a sufficient and necessary graphical condition for counterfactual identification from an arbitrary combination of observational and experimental …

How well do deep neural networks fare as models of mouse visual cortex? A majority of research to date suggests results far more mixed than those produced in the modeling of primate visual cortex. Here, we perform a large-scale benchmarking of dozens of deep neural network models in mouse visual cortex with both representational similarity analysis and neural regression. Using the Allen Brain Observatory's 2-photon calcium-imaging dataset of activity in over 6,000 reliable rodent visual cortical neurons recorded in response to natural scenes, we replicate previous findings and resolve previous discrepancies, ultimately demonstrating that modern neural networks can in fact be used to explain activity in the mouse visual cortex to a more reasonable degree than previously suggested. Using our benchmark as an atlas, we offer preliminary answers to overarching questions about levels of analysis (e.g. do models that better predict the representations of individual neurons also predict representational similarity across neural populations?); questions about the properties of models that best predict the visual system overall (e.g. is convolution or category-supervision necessary to better predict neural activity?); and questions about the mapping between biological and artificial representations (e.g. does the information processing hierarchy in deep nets match the anatomical hierarchy …

In recent years, substantial research on the methods for learning Hamiltonian equations has been conducted. Although these approaches are very promising, the commonly used representation of the Hamilton equation uses the generalized momenta, which are generally unknown. Therefore, the training data must be represented in this unknown coordinate system, and this causes difficulty in applying the model to real data. Meanwhile, Hamiltonian equations also have a coordinate-free expression that is expressed by using the symplectic 2-form. In this study, we propose a model that learns the symplectic form from data using neural networks, thereby providing a method for learning Hamiltonian equations from data represented in general coordinate systems, which are not limited to the generalized coordinates and the generalized momenta. Consequently, the proposed method is capable not only of modeling target equations of both Hamiltonian and Lagrangian formalisms but also of extracting unknown Hamiltonian structures hidden in the data. For example, many polynomial ordinary differential equations such as the Lotka-Volterra equation are known to admit non-trivial Hamiltonian structures, and our numerical experiments show that such structures can be certainly learned from data. Technically, each symplectic 2-form is associated with a skew-symmetric matrix, but not all skew-symmetric matrices define the symplectic …

Reinforcement learning (RL) is typically viewed as the problem of estimating single-step policies (for model-free RL) or single-step models (for model-based RL), leveraging the Markov property to factorize the problem in time. However, we can also view RL as a sequence modeling problem: predict a sequence of actions that leads to a sequence of high rewards. Viewed in this way, it is tempting to consider whether powerful, high-capacity sequence prediction models that work well in other supervised learning domains, such as natural-language processing, can also provide simple and effective solutions to the RL problem. To this end, we explore how RL can be reframed as "one big sequence modeling" problem, using state-of-the-art Transformer architectures to model distributions over sequences of states, actions, and rewards. Addressing RL as a sequence modeling problem significantly simplifies a range of design decisions: we no longer require separate behavior policy constraints, as is common in prior work on offline model-free RL, and we no longer require ensembles or other epistemic uncertainty estimators, as is common in prior work on model-based RL. All of these roles are filled by the same Transformer sequence model. In our experiments, we demonstrate the flexibility of this approach across imitation …

Model-based reinforcement learning has attracted wide attention due to its superior sample efficiency. Despite its impressive success so far, it is still unclear how to appropriately schedule the important hyperparameters to achieve adequate performance, such as the real data ratio for policy optimization in Dyna-style model-based algorithms. In this paper, we first theoretically analyze the role of real data in policy training, which suggests that gradually increasing the ratio of real data yields better performance. Inspired by the analysis, we propose a framework named AutoMBPO to automatically schedule the real data ratio as well as other hyperparameters in training model-based policy optimization (MBPO) algorithm, a representative running case of model-based methods. On several continuous control tasks, the MBPO instance trained with hyperparameters scheduled by AutoMBPO can significantly surpass the original one, and the real data ratio schedule found by AutoMBPO shows consistency with our theoretical analysis.

A seminal result in game theory is von Neumann's minmax theorem, which states that zero-sum games admit an essentially unique equilibrium solution. Classical learning results build on this theorem to show that online no-regret dynamics converge to an equilibrium in a time-average sense in zero-sum games. In the past several years, a key research direction has focused on characterizing the transient behavior of such dynamics. General results in this direction show that broad classes of online learning dynamics are cyclic, and formally Poincar\'{e} recurrent, in zero-sum games. We analyze the robustness of these online learning behaviors in the case of periodic zero-sum games with a time-invariant equilibrium. This model generalizes the usual repeated game formulation while also being a realistic and natural model of a repeated competition between players that depends on exogenous environmental variations such as time-of-day effects, week-to-week trends, and seasonality. Interestingly, time-average convergence may fail even in the simplest such settings, in spite of the equilibrium being fixed. In contrast, using novel analysis methods, we show that Poincar\'{e} recurrence provably generalizes despite the complex, non-autonomous nature of these dynamical systems.

Learning with neural networks relies on the complexity of their representable functions, but more importantly, their particular assignment of typical parameters to functions of different complexity. Taking the number of activation regions as a complexity measure, recent works have shown that the practical complexity of deep ReLU networks is often far from the theoretical maximum. In this work, we show that this phenomenon also occurs in networks with maxout (multi-argument) activation functions and when considering the decision boundaries in classification tasks. We also show that the parameter space has a multitude of full-dimensional regions with widely different complexity, and obtain nontrivial lower bounds on the expected complexity. Finally, we investigate different parameter initialization procedures and show that they can increase the speed of convergence in training.

Point clouds and sets are input data-types which pose unique problems to deep learning. Since sets can have variable cardinality and are unchanged by permutation, the input space for these problems naturally form infinite-dimensional non-Euclidean spaces. Despite these mathematical difficulties, PointNet (Qi et al. 2017) and Deep Sets (Zaheer et al. 2017) introduced foundational neural network architectures to address these problems. In this paper we present a unified framework to study the expressive power of such networks as well as their extensions beyond point clouds (partially addressing a conjecture on the extendibility of DeepSets along the way). To this end, we demonstrate the crucial role that the Hausdorff and Wasserstein metrics play and prove new cardinality-agnostic universality results to characterize exactly which functions can be approximated by these models. In particular, these results imply that PointNet generally cannot approximate averages of continuous functions over sets (e.g. center-of-mass or higher moments) implying that DeepSets is strictly more expressive than PointNet in the constant cardinality setting. Moreover, we obtain explicit lower-bounds on the approximation error and present a simple method to produce arbitrarily many examples of this failure-mode. Counterintuitively, we also prove that in the unbounded cardinality setting that any function which …

We study the theoretical convergence properties of random-search methods when optimizing non-convex objective functions without having access to derivatives. We prove that standard random-search methods that do not rely on second-order information converge to a second-order stationary point. However, they suffer from an exponential complexity in terms of the input dimension of the problem. In order to address this issue, we propose a novel variant of random search that exploits negative curvature by only relying on function evaluations. We prove that this approach converges to a second-order stationary point at a much faster rate than vanilla methods: namely, the complexity in terms of the number of function evaluations is only linear in the problem dimension. We test our algorithm empirically and find good agreements with our theoretical results.

In recent years, personalized federated learning (pFL) has attracted increasing attention for its potential in dealing with statistical heterogeneity among clients. However, the state-of-the-art pFL methods rely on model parameters aggregation at the server side, which require all models to have the same structure and size, and thus limits the application for more heterogeneous scenarios. To deal with such model constraints, we exploit the potentials of heterogeneous model settings and propose a novel training framework to employ personalized models for different clients. Specifically, we formulate the aggregation procedure in original pFL into a personalized group knowledge transfer training algorithm, namely, KT-pFL, which enables each client to maintain a personalized soft prediction at the server side to guide the others' local training. KT-pFL updates the personalized soft prediction of each client by a linear combination of all local soft predictions using a knowledge coefficient matrix, which can adaptively reinforce the collaboration among clients who own similar data distribution. Furthermore, to quantify the contributions of each client to others' personalized training, the knowledge coefficient matrix is parameterized so that it can be trained simultaneously with the models. The knowledge coefficient matrix and the model parameters are alternatively updated in each round following …

We consider interactive learning in the realizable setting and develop a general framework to handle problems ranging from best arm identification to active classification. We begin our investigation with the observation that agnostic algorithms \emph{cannot} be minimax-optimal in the realizable setting. Hence, we design novel computationally efficient algorithms for the realizable setting that match the minimax lower bound up to logarithmic factors and are general-purpose, accommodating a wide variety of function classes including kernel methods, H{\"o}lder smooth functions, and convex functions. The sample complexities of our algorithms can be quantified in terms of well-known quantities like the extended teaching dimension and haystack dimension. However, unlike algorithms based directly on those combinatorial quantities, our algorithms are computationally efficient. To achieve computational efficiency, our algorithms sample from the version space using Monte Carlo ``hit-and-run'' algorithms instead of maintaining the version space explicitly. Our approach has two key strengths. First, it is simple, consisting of two unifying, greedy algorithms. Second, our algorithms have the capability to seamlessly leverage prior knowledge that is often available and useful in practice. In addition to our new theoretical results, we demonstrate empirically that our algorithms are competitive with Gaussian process UCB methods.

Standard lossy image compression algorithms aim to preserve an image's appearance, while minimizing the number of bits needed to transmit it. However, the amount of information actually needed by the user for downstream tasks -- e.g., deciding which product to click on in a shopping website -- is likely much lower. To achieve this lower bitrate, we would ideally only transmit the visual features that drive user behavior, while discarding details irrelevant to the user's decisions. We approach this problem by training a compression model through human-in-the-loop learning as the user performs tasks with the compressed images. The key insight is to train the model to produce a compressed image that induces the user to take the same action that they would have taken had they seen the original image. To approximate the loss function for this model, we train a discriminator that tries to distinguish whether a user's action was taken in response to the compressed image or the original. We evaluate our method through experiments with human participants on four tasks: reading handwritten digits, verifying photos of faces, browsing an online shopping catalogue, and playing a car racing video game. The results show that our method learns to …

Data efficiency is a key challenge for deep reinforcement learning. We address this problem by using unlabeled data to pretrain an encoder which is then finetuned on a small amount of task-specific data. To encourage learning representations which capture diverse aspects of the underlying MDP, we employ a combination of latent dynamics modelling and unsupervised goal-conditioned RL. When limited to 100k steps of interaction on Atari games (equivalent to two hours of human experience), our approach significantly surpasses prior work combining offline representation pretraining with task-specific finetuning, and compares favourably with other pretraining methods that require orders of magnitude more data. Our approach shows particular promise when combined with larger models as well as more diverse, task-aligned observational data -- approaching human-level performance and data-efficiency on Atari in our best setting.

In settings ranging from weather forecasts to political prognostications to financial projections, probability estimates of future binary outcomes often evolve over time. For example, the estimated likelihood of rain on a specific day changes by the hour as new information becomes available. Given a collection of such probability paths, we introduce a Bayesian framework -- which we call the Gaussian latent information martingale, or GLIM -- for modeling the structure of dynamic predictions over time. Suppose, for example, that the likelihood of rain in a week is 50%, and consider two hypothetical scenarios. In the first, one expects the forecast to be equally likely to become either 25% or 75% tomorrow; in the second, one expects the forecast to stay constant for the next several days. A time-sensitive decision-maker might select a course of action immediately in the latter scenario, but may postpone their decision in the former, knowing that new information is imminent. We model these trajectories by assuming predictions update according to a latent process of information flow, which is inferred from historical data. In contrast to general methods for time series analysis, this approach preserves important properties of probability paths such as the martingale structure and appropriate …

A key challenge for reinforcement learning is solving long-horizon planning problems. Recent work has leveraged programs to guide reinforcement learning in these settings. However, these approaches impose a high manual burden on the user since they must provide a guiding program for every new task. Partially observed environments further complicate the programming task because the program must implement a strategy that correctly, and ideally optimally, handles every possible configuration of the hidden regions of the environment. We propose a new approach, model predictive program synthesis (MPPS), that uses program synthesis to automatically generate the guiding programs. It trains a generative model to predict the unobserved portions of the world, and then synthesizes a program based on samples from this model in a way that is robust to its uncertainty. In our experiments, we show that our approach significantly outperforms non-program-guided approaches on a set of challenging benchmarks, including a 2D Minecraft-inspired environment where the agent must complete a complex sequence of subtasks to achieve its goal, and achieves a similar performance as using handcrafted programs to guide the agent. Our results demonstrate that our approach can obtain the benefits of program-guided reinforcement learning without requiring the user to provide a …

Recognizing and localizing objects in the 3D space is a crucial ability for an AI agent to perceive its surrounding environment. While significant progress has been achieved with expensive LiDAR point clouds, it poses a great challenge for 3D object detection given only a monocular image. While there exist different alternatives for tackling this problem, it is found that they are either equipped with heavy networks to fuse RGB and depth information or empirically ineffective to process millions of pseudo-LiDAR points. With in-depth examination, we realize that these limitations are rooted in inaccurate object localization. In this paper, we propose a novel and lightweight approach, dubbed {\em Progressive Coordinate Transforms} (PCT) to facilitate learning coordinate representations. Specifically, a localization boosting mechanism with confidence-aware loss is introduced to progressively refine the localization prediction. In addition, semantic image representation is also exploited to compensate for the usage of patch proposals. Despite being lightweight and simple, our strategy allows us to establish a new state-of-the-art among the monocular 3D detectors on the competitive KITTI benchmark. At the same time, our proposed PCT shows great generalization to most coordinate-based 3D detection frameworks.

Traditional seismic inversion (SI) maps the hundreds of terabytes of raw-field data to subsurface properties in gigabytes. This inversion process is expensive, requiring over a year of human and computational effort. Recently, data-driven approaches equipped with Deep learning (DL) are envisioned to improve SI efficiency. However, these improvements are restricted to data with highly reduced scale and complexity. To extend these approaches to real-scale seismic data, researchers need to process raw nav-merge seismic data into an image and perform convolution. We argue that this convolution-based way of SI is not only computationally expensive but also conceptually problematic. Seismic data is not naturally an image and need not be processed as images. In this work, we go beyond convolution and propose a novel SI method. We solve the scalability of SI by proposing a new auxiliary learning paradigm for SI (Aux-SI). This paradigm breaks the SI into local inversion tasks, which predicts each small chunk of subsurface properties using surrounding seismic data. Aux-SI combines these local predictions to obtain the entire subsurface model. However, even this local inversion is still challenging due to: (1) high-dimensional, spatially irregular multi-modal seismic data, (2) there is no concrete spatial mapping (or alignment) between subsurface …

Normalizing flows are invertible neural networks with tractable change-of-volume terms, which allow optimization of their parameters to be efficiently performed via maximum likelihood. However, data of interest are typically assumed to live in some (often unknown) low-dimensional manifold embedded in a high-dimensional ambient space. The result is a modelling mismatch since -- by construction -- the invertibility requirement implies high-dimensional support of the learned distribution. Injective flows, mappings from low- to high-dimensional spaces, aim to fix this discrepancy by learning distributions on manifolds, but the resulting volume-change term becomes more challenging to evaluate. Current approaches either avoid computing this term entirely using various heuristics, or assume the manifold is known beforehand and therefore are not widely applicable. Instead, we propose two methods to tractably calculate the gradient of this term with respect to the parameters of the model, relying on careful use of automatic differentiation and techniques from numerical linear algebra. Both approaches perform end-to-end nonlinear manifold learning and density estimation for data projected onto this manifold. We study the trade-offs between our proposed methods, empirically verify that we outperform approaches ignoring the volume-change term by more accurately learning manifolds and the corresponding distributions on them, and show promising results …

As an important step towards visual reasoning, visual grounding (e.g., phrase localization, referring expression comprehension / segmentation) has been widely explored. Previous approaches to referring expression comprehension (REC) or segmentation (RES) either suffer from limited performance, due to a two-stage setup, or require the designing of complex task-specific one-stage architectures. In this paper, we propose a simple one-stage multi-task framework for visual grounding tasks. Specifically, we leverage a transformer architecture, where two modalities are fused in a visual-lingual encoder. In the decoder, the model learns to generate contextualized lingual queries which are then decoded and used to directly regress the bounding box and produce a segmentation mask for the corresponding referred regions. With this simple but highly contextualized model, we outperform state-of-the-art methods by a large margin on both REC and RES tasks. We also show that a simple pre-training schedule (on an external dataset) further improves the performance. Extensive experiments and ablations illustrate that our model benefits greatly from contextualized information and multi-task training.

In reinforcement learning, experience replay stores past samples for further reuse. Prioritized sampling is a promising technique to better utilize these samples. Previous criteria of prioritization include TD error, recentness and corrective feedback, which are mostly heuristically designed. In this work, we start from the regret minimization objective, and obtain an optimal prioritization strategy for Bellman update that can directly maximize the return of the policy. The theory suggests that data with higher hindsight TD error, better on-policiness and more accurate Q value should be assigned with higher weights during sampling. Thus most previous criteria only consider this strategy partially. We not only provide theoretical justifications for previous criteria, but also propose two new methods to compute the prioritization weight, namely ReMERN and ReMERT. ReMERN learns an error network, while ReMERT exploits the temporal ordering of states. Both methods outperform previous prioritized sampling algorithms in challenging RL benchmarks, including MuJoCo, Atari and Meta-World.

Reinforcement learning (RL) algorithms assume that users specify tasks by manually writing down a reward function. However, this process can be laborious and demands considerable technical expertise. Can we devise RL algorithms that instead enable users to specify tasks simply by providing examples of successful outcomes? In this paper, we derive a control algorithm that maximizes the future probability of these successful outcome examples. Prior work has approached similar problems with a two-stage process, first learning a reward function and then optimizing this reward function using another reinforcement learning algorithm. In contrast, our method directly learns a value function from transitions and successful outcomes, without learning this intermediate reward function. Our method therefore requires fewer hyperparameters to tune and lines of code to debug. We show that our method satisfies a new data-driven Bellman equation, where examples take the place of the typical reward function term. Experiments show that our approach outperforms prior methods that learn explicit reward functions.

Graph neural networks are powerful architectures for structured datasets. However, current methods struggle to represent long-range dependencies. Scaling the depth or width of GNNs is insufficient to broaden receptive fields as larger GNNs encounter optimization instabilities such as vanishing gradients and representation oversmoothing, while pooling-based approaches have yet to become as universally useful as in computer vision. In this work, we propose the use of Transformer-based self-attention to learn long-range pairwise relationships, with a novel “readout” mechanism to obtain a global graph embedding. Inspired by recent computer vision results that find position-invariant attention performant in learning long-range relationships, our method, which we call GraphTrans, applies a permutation-invariant Transformer module after a standard GNN module. This simple architecture leads to state-of-the-art results on several graph classification tasks, outperforming methods that explicitly encode graph structure. Our results suggest that purely-learning-based approaches without graph structure may be suitable for learning high-level, long-range relationships on graphs. Code for GraphTrans is available at https://github.com/ucbrise/graphtrans.

Increasingly, copious amounts of consumer data are used to learn high-revenue mechanisms via machine learning. Existing research on mechanism design via machine learning assumes that there is a distribution over the buyers' values for the items for sale and that the learning algorithm's input is a training set sampled from this distribution. This setup makes the strong assumption that no noise is introduced during data collection. In order to help place mechanism design via machine learning on firm foundations, we investigate the extent to which this learning process is robust to noise. Optimizing revenue using noisy data is challenging because revenue functions are extremely volatile: an infinitesimal change in the buyers' values can cause a steep drop in revenue. Nonetheless, we provide guarantees when arbitrarily correlated noise is added to the training set; we only require that the noise has bounded magnitude or is sub-Gaussian. We conclude with an application of our guarantees to multi-task mechanism design, where there are multiple distributions over buyers' values and the goal is to learn a high-revenue mechanism per distribution. To our knowledge, we are the first to study mechanism design via machine learning with noisy data as well as multi-task mechanism design.

Recently, a series of algorithms have been explored for GAN compression, which aims to reduce tremendous computational overhead and memory usages when deploying GANs on resource-constrained edge devices. However, most of the existing GAN compression work only focuses on how to compress the generator, while fails to take the discriminator into account. In this work, we revisit the role of discriminator in GAN compression and design a novel generator-discriminator cooperative compression scheme for GAN compression, termed GCC. Within GCC, a selective activation discriminator automatically selects and activates convolutional channels according to a local capacity constraint and a global coordination constraint, which help maintain the Nash equilibrium with the lightweight generator during the adversarial training and avoid mode collapse. The original generator and discriminator are also optimized from scratch, to play as a teacher model to progressively refine the pruned generator and the selective activation discriminator. A novel online collaborative distillation scheme is designed to take full advantage of the intermediate feature of the teacher generator and discriminator to further boost the performance of the lightweight generator. Extensive experiments on various GAN-based generation tasks demonstrate the effectiveness and generalization of GCC. Among them, GCC contributes to reducing 80% computational costs while …

The CSGM framework (Bora-Jalal-Price-Dimakis'17) has shown that deepgenerative priors can be powerful tools for solving inverse problems.However, to date this framework has been empirically successful only oncertain datasets (for example, human faces and MNIST digits), and itis known to perform poorly on out-of-distribution samples. In thispaper, we present the first successful application of the CSGMframework on clinical MRI data. We train a generative prior on brainscans from the fastMRI dataset, and show that posterior sampling viaLangevin dynamics achieves high quality reconstructions. Furthermore,our experiments and theory show that posterior sampling is robust tochanges in the ground-truth distribution and measurement process.Our code and models are available at: \url{https://github.com/utcsilab/csgm-mri-langevin}.

We consider the problem of searching an input maximizing a black-box objective function given a static dataset of input-output queries. A popular approach to solving this problem is maintaining a proxy model, e.g., a deep neural network (DNN), that approximates the true objective function. Here, the main challenge is how to avoid adversarially optimized inputs during the search, i.e., the inputs where the DNN highly overestimates the true objective function. To handle the issue, we propose a new framework, coined robust model adaptation (RoMA), based on gradient-based optimization of inputs over the DNN. Specifically, it consists of two steps: (a) a pre-training strategy to robustly train the proxy model and (b) a novel adaptation procedure of the proxy model to have robust estimates for a specific set of candidate solutions. At a high level, our scheme utilizes the local smoothness prior to overcome the brittleness of the DNN. Experiments under various tasks show the effectiveness of RoMA compared with previous methods, obtaining state-of-the-art results, e.g., RoMA outperforms all at 4 out of 6 tasks and achieves runner-up results at the remaining tasks.

While federated learning (FL) allows efficient model training with local data at edge devices, among major issues still to be resolved are: slow devices known as stragglers and malicious attacks launched by adversaries. While the presence of both of these issues raises serious concerns in practical FL systems, no known schemes or combinations of schemes effectively address them at the same time. We propose Sageflow, staleness-aware grouping with entropy-based filtering and loss-weighted averaging, to handle both stragglers and adversaries simultaneously. Model grouping and weighting according to staleness (arrival delay) provides robustness against stragglers, while entropy-based filtering and loss-weighted averaging, working in a highly complementary fashion at each grouping stage, counter a wide range of adversary attacks. A theoretical bound is established to provide key insights into the convergence behavior of Sageflow. Extensive experimental results show that Sageflow outperforms various existing methods aiming to handle stragglers/adversaries.

Real world applications such as economics and policy making often involve solving multi-agent games with two unique features: (1) The agents are inherently asymmetric and partitioned into leaders and followers; (2) The agents have different reward functions, thus the game is general-sum. The majority of existing results in this field focuses on either symmetric solution concepts (e.g. Nash equilibrium) or zero-sum games. It remains open how to learn the Stackelberg equilibrium---an asymmetric analog of the Nash equilibrium---in general-sum games efficiently from noisy samples. This paper initiates the theoretical study of sample-efficient learning of the Stackelberg equilibrium, in the bandit feedback setting where we only observe noisy samples of the reward. We consider three representative two-player general-sum games: bandit games, bandit-reinforcement learning (bandit-RL) games, and linear bandit games. In all these games, we identify a fundamental gap between the exact value of the Stackelberg equilibrium and its estimated version using finitely many noisy samples, which can not be closed information-theoretically regardless of the algorithm. We then establish sharp positive results on sample-efficient learning of Stackelberg equilibrium with value optimal up to the gap identified above, with matching lower bounds in the dependency on the gap, error tolerance, and the …

We can compress a rectifier network while exactly preserving its underlying functionality with respect to a given input domain if some of its neurons are stable. However, current approaches to determine the stability of neurons with Rectified Linear Unit (ReLU) activations require solving or finding a good approximation to multiple discrete optimization problems. In this work, we introduce an algorithm based on solving a single optimization problem to identify all stable neurons. Our approach is on median 183 times faster than the state-of-art method on CIFAR-10, which allows us to explore exact compression on deeper (5 x 100) and wider (2 x 800) networks within minutes. For classifiers trained under an amount of L1 regularization that does not worsen accuracy, we can remove up to 56% of the connections on the CIFAR-10 dataset. The code is available at the following link, https://github.com/yuxwind/ExactCompression .

We propose a novel second-order optimization framework for training the emerging deep continuous-time models, specifically the Neural Ordinary Differential Equations (Neural ODEs). Since their training already involves expensive gradient computation by solving a backward ODE, deriving efficient second-order methods becomes highly nontrivial. Nevertheless, inspired by the recent Optimal Control (OC) interpretation of training deep networks, we show that a specific continuous-time OC methodology, called Differential Programming, can be adopted to derive backward ODEs for higher-order derivatives at the same O(1) memory cost. We further explore a low-rank representation of the second-order derivatives and show that it leads to efficient preconditioned updates with the aid of Kronecker-based factorization. The resulting method – named SNOpt – converges much faster than first-order baselines in wall-clock time, and the improvement remains consistent across various applications, e.g. image classification, generative flow, and time-series prediction. Our framework also enables direct architecture optimization, such as the integration time of Neural ODEs, with second-order feedback policies, strengthening the OC perspective as a principled tool of analyzing optimization in deep learning. Our code is available at https://github.com/ghliu/snopt.