ICML 2022 Papers

We propose a fundamental theory on ensemble learning that evaluates a given ensemble system by a well-grounded set of metrics. Previous studies used a variant of Fano’s inequality of information theory and derived a lower bound of the classification error rate on the basis of the accuracy and diversity of models. We revisit the original Fano’s inequality and argue that the studies did not take into account the information lost when multiple model predictions are combined into a final prediction. To address this issue, we generalize the previous theory to incorporate the information loss. Further, we empirically validate and demonstrate the proposed theory through extensive experiments on actual systems. The theory reveals the strengths and weaknesses of systems on each metric, which will push the theoretical understanding of ensemble learning and give us insights into designing systems.

Attention mechanisms are dominating the explainability of deep models. They produce probability distributions over the input, which are widely deemed as feature-importance indicators. However, in this paper, we find one critical limitation in attention explanations: weakness in identifying the polarity of feature impact. This would be somehow misleading – features with higher attention weights may not faithfully contribute to model predictions; instead, they can impose suppression effects. With this finding, we reflect on the explainability of current attention-based techniques, such as Attention $\bigodot$ Gradient and LRP-based attention explanations. We first propose an actionable diagnostic methodology (henceforth faithfulness violation test) to measure the consistency between explanation weights and the impact polarity. Through the extensive experiments, we then show that most tested explanation methods are unexpectedly hindered by the faithfulness violation issue, especially the raw attention. Empirical analyses on the factors affecting violation issues further provide useful observations for adopting explanation methods in attention models.

This paper studies the accelerated gradient descent for general nonconvex problems under the gradient Lipschitz and Hessian Lipschitz assumptions. We establish that a simple restarted accelerated gradient descent (AGD) finds an $\epsilon$-approximate first-order stationary point in $O(\epsilon^{-7/4})$ gradient computations with simple proofs. Our complexity does not hide any polylogarithmic factors, and thus it improves over the state-of-the-art one by the $O(\log\frac{1}{\epsilon})$ factor. Our simple algorithm only consists of Nesterov’s classical AGD and a restart mechanism, and it does not need the negative curvature exploitation or the optimization of regularized surrogate functions. Technically, our simple proof does not invoke the analysis for the strongly convex AGD, which is crucial to remove the $O(\log\frac{1}{\epsilon})$ factor.

The rise of Federated Learning (FL) is bringing machine learning to edge computing by utilizing data scattered across edge devices. However, the heterogeneity of edge network topologies and the uncertainty of wireless transmission are two major obstructions of FL’s wide application in edge computing, leading to prohibitive convergence time and high communication cost. In this work, we propose an FL scheme to address both challenges simultaneously. Specifically, we enable edge devices to learn self-distilled neural networks that are readily prunable to arbitrary sizes, which capture the knowledge of the learning domain in a nested and progressive manner. Not only does our approach tackle system heterogeneity by serving edge devices with varying model architectures, but it also alleviates the issue of connection uncertainty by allowing transmitting part of the model parameters under faulty network connections, without wasting the contributing knowledge of the transmitted parameters. Extensive empirical studies show that under system heterogeneity and network instability, our approach demonstrates significant resilience and higher communication efficiency compared to the state-of-the-art.

Outlier-robust principal component analysis (ORPCA) has been broadly applied in scientific discovery in the last decades. In this paper, we study online ORPCA, an important variant that addresses the practical challenge that the data points arrive in a sequential manner and the goal is to recover the underlying subspace of the clean data with one pass of the data. Our main contribution is the first provable algorithm that enjoys comparable recovery guarantee to the best known batch algorithm, while significantly improving upon the state-of-the-art online ORPCA algorithms. The core technique is a robust version of the residual norm which, informally speaking, leverages not only the importance of a data point, but also how likely it behaves as an outlier.

Comparison of data representations is a complex multi-aspect problem. We propose a method for comparing two data representations. We introduce the Representation Topology Divergence (RTD) score measuring the dissimilarity in multi-scale topology between two point clouds of equal size with a one-to-one correspondence between points. The two data point clouds can lie in different ambient spaces. The RTD score is one of the few topological data analysis based practical methods applicable to real machine learning datasets. Experiments show the agreement of RTD with the intuitive assessment of data representation similarity. The proposed RTD score is sensitive to the data representation’s fine topological structure. We use the RTD score to gain insights on neural networks representations in computer vision and NLP domains for various problems: training dynamics analysis, data distribution shift, transfer learning, ensemble learning, disentanglement assessment.

Adversarial training (AT) defends deep neural networks against adversarial attacks. One challenge that limits its practical application is the performance degradation on clean samples. A major bottleneck identified by previous works is the widely used batch normalization (BN), which struggles to model the different statistics of clean and adversarial training samples in AT. Although the dominant approach is to extend BN to capture this mixture of distribution, we propose to completely eliminate this bottleneck by removing all BN layers in AT. Our normalizer-free robust training (NoFrost) method extends recent advances in normalizer-free networks to AT for its unexplored advantage on handling the mixture distribution challenge. We show that NoFrost achieves adversarial robustness with only a minor sacrifice on clean sample accuracy. On ImageNet with ResNet50, NoFrost achieves $74.06%$ clean accuracy, which drops merely $2.00%$ from standard training. In contrast, BN-based AT obtains $59.28%$ clean accuracy, suffering a significant $16.78%$ drop from standard training. In addition, NoFrost achieves a $23.56%$ adversarial robustness against PGD attack, which improves the $13.57%$ robustness in BN-based AT. We observe better model smoothness and larger decision margins from NoFrost, which make the models less sensitive to input perturbations and thus more robust. Moreover, when incorporating more data augmentations into NoFrost, it achieves comprehensive robustness against multiple distribution shifts. Code and pre-trained models are public at https://github.com/amazon-research/normalizer-free-robust-training.

Recent unsupervised pre-training methods have shown to be effective on language and vision domains by learning useful representations for multiple downstream tasks. In this paper, we investigate if such unsupervised pre-training methods can also be effective for vision-based reinforcement learning (RL). To this end, we introduce a framework that learns representations useful for understanding the dynamics via generative pre-training on videos. Our framework consists of two phases: we pre-train an action-free latent video prediction model, and then utilize the pre-trained representations for efficiently learning action-conditional world models on unseen environments. To incorporate additional action inputs during fine-tuning, we introduce a new architecture that stacks an action-conditional latent prediction model on top of the pre-trained action-free prediction model. Moreover, for better exploration, we propose a video-based intrinsic bonus that leverages pre-trained representations. We demonstrate that our framework significantly improves both final performances and sample-efficiency of vision-based RL in a variety of manipulation and locomotion tasks. Code is available at \url{https://github.com/younggyoseo/apv}.

We study reinforcement learning for partially observed Markov decision processes (POMDPs) with infinite observation and state spaces, which remains less investigated theoretically. To this end, we make the first attempt at bridging partial observability and function approximation for a class of POMDPs with a linear structure. In detail, we propose a reinforcement learning algorithm (Optimistic Exploration via Adversarial Integral Equation or OP-TENET) that attains an $\epsilon$-optimal policy within $O(1/\epsilon^2)$ episodes. In particular, the sample complexity scales polynomially in the intrinsic dimension of the linear structure and is independent of the size of the observation and state spaces. The sample efficiency of OP-TENET is enabled by a sequence of ingredients: (i) a Bellman operator with finite memory, which represents the value function in a recursive manner, (ii) the identification and estimation of such an operator via an adversarial integral equation, which features a smoothed discriminator tailored to the linear structure, and (iii) the exploration of the observation and state spaces via optimism, which is based on quantifying the uncertainty in the adversarial integral equation.

Offline reinforcement learning (RL) extends the paradigm of classical RL algorithms to purely learning from static datasets, without interacting with the underlying environment during the learning process. A key challenge of offline RL is the instability of policy training, caused by the mismatch between the distribution of the offline data and the undiscounted stationary state-action distribution of the learned policy. To avoid the detrimental impact of distribution mismatch, we regularize the undiscounted stationary distribution of the current policy towards the offline data during the policy optimization process. Further, we train a dynamics model to both implement this regularization and better estimate the stationary distribution of the current policy, reducing the error induced by distribution mismatch. On a wide range of continuous-control offline RL datasets, our method indicates competitive performance, which validates our algorithm. The code is publicly available.

In performative prediction, the deployment of a predictive model triggers a shift in the data distribution. As these shifts are typically unknown ahead of time, the learner needs to deploy a model to get feedback about the distribution it induces. We study the problem of finding near-optimal models under performativity while maintaining low regret. On the surface, this problem might seem equivalent to a bandit problem. However, it exhibits a fundamentally richer feedback structure that we refer to as performative feedback: after every deployment, the learner receives samples from the shifted distribution rather than bandit feedback about the reward. Our main contribution is regret bounds that scale only with the complexity of the distribution shifts and not that of the reward function. The key algorithmic idea is careful exploration of the distribution shifts that informs a novel construction of confidence bounds on the risk of unexplored models. The construction only relies on smoothness of the shifts and does not assume convexity. More broadly, our work establishes a conceptual approach for leveraging tools from the bandits literature for the purpose of regret minimization with performative feedback.

We propose an algorithm that uses linear function approximation (LFA) for stochastic shortest path (SSP). Under minimal assumptions, it obtains sublinear regret, is computationally efficient, and uses stationary policies. To our knowledge, this is the first such algorithm in the LFA literature (for SSP or other formulations). Our algorithm is a special case of a more general one, which achieves regret square root in the number of episodes given access to a computation oracle.

Despite the rapid advancement of semantic discovery in the latent space of Generative Adversarial Networks (GANs), existing approaches either are limited to finding global attributes or rely on a number of segmentation masks to identify local attributes. In this work, we present a highly efficient algorithm to factorize the latent semantics learned by GANs concerning an arbitrary image region. Concretely, we revisit the task of local manipulation with pre-trained GANs and formulate region-based semantic discovery as a dual optimization problem. Through an appropriately defined generalized Rayleigh quotient, we manage to solve such a problem without any annotations or training. Experimental results on various state-of-the-art GAN models demonstrate the effectiveness of our approach, as well as its superiority over prior arts regarding precise control, region robustness, speed of implementation, and simplicity of use.

We revisit the classical problem of deriving convergence rates for the maximum likelihood estimator (MLE) in finite mixture models. The Wasserstein distance has become a standard loss function for the analysis of parameter estimation in these models, due in part to its ability to circumvent label switching and to accurately characterize the behaviour of fitted mixture components with vanishing weights. However, the Wasserstein distance is only able to capture the worst-case convergence rate among the remaining fitted mixture components. We demonstrate that when the log-likelihood function is penalized to discourage vanishing mixing weights, stronger loss functions can be derived to resolve this shortcoming of the Wasserstein distance. These new loss functions accurately capture the heterogeneity in convergence rates of fitted mixture components, and we use them to sharpen existing pointwise and uniform convergence rates in various classes of mixture models. In particular, these results imply that a subset of the components of the penalized MLE typically converge significantly faster than could have been anticipated from past work. We further show that some of these conclusions extend to the traditional MLE. Our theoretical findings are supported by a simulation study to illustrate these improved convergence rates.

In temporal-difference reinforcement learning algorithms, variance in value estimation can cause instability and overestimation of the maximal target value. Many algorithms have been proposed to reduce overestimation, including several recent ensemble methods, however none have shown success in sample-efficient learning through addressing estimation variance as the root cause of overestimation. In this paper, we propose MeanQ, a simple ensemble method that estimates target values as ensemble means. Despite its simplicity, MeanQ shows remarkable sample efficiency in experiments on the Atari Learning Environment benchmark. Importantly, we find that an ensemble of size 5 sufficiently reduces estimation variance to obviate the lagging target network, eliminating it as a source of bias and further gaining sample efficiency. We justify intuitively and empirically the design choices in MeanQ, including the necessity of independent experience sampling. On a set of 26 benchmark Atari environments, MeanQ outperforms all tested baselines, including the best available baseline, SUNRISE, at 100K interaction steps in 16/26 environments, and by 68% on average. MeanQ also outperforms Rainbow DQN at 500K steps in 21/26 environments, and by 49% on average, and achieves average human-level performance using 200K ($\pm$100K) interaction steps. Our implementation is available at https://github.com/indylab/MeanQ.

Many problems in RL, such as meta-RL, robust RL, generalization in RL, and temporal credit assignment, can be cast as POMDPs. In theory, simply augmenting model-free RL with memory-based architectures, such as recurrent neural networks, provides a general approach to solving all types of POMDPs. However, prior work has found that such recurrent model-free RL methods tend to perform worse than more specialized algorithms that are designed for specific types of POMDPs. This paper revisits this claim. We find that careful architecture and hyperparameter decisions can often yield a recurrent model-free implementation that performs on par with (and occasionally substantially better than) more sophisticated recent techniques. We compare to 21 environments from 6 prior specialized methods and find that our implementation achieves greater sample efficiency and asymptotic performance than these methods on 18/21 environments. We also release a simple and efficient implementation of recurrent model-free RL for future work to use as a baseline for POMDPs.

Empirically observed time series in physics, biology, or medicine, are commonly generated by some underlying dynamical system (DS) which is the target of scientific interest. There is an increasing interest to harvest machine learning methods to reconstruct this latent DS in a data-driven, unsupervised way. In many areas of science it is common to sample time series observations from many data modalities simultaneously, e.g. electrophysiological and behavioral time series in a typical neuroscience experiment. However, current machine learning tools for reconstructing DSs usually focus on just one data modality. Here we propose a general framework for multi-modal data integration for the purpose of nonlinear DS reconstruction and the analysis of cross-modal relations. This framework is based on dynamically interpretable recurrent neural networks as general approximators of nonlinear DSs, coupled to sets of modality-specific decoder models from the class of generalized linear models. Both an expectation-maximization and a variational inference algorithm for model training are advanced and compared. We show on nonlinear DS benchmarks that our algorithms can efficiently compensate for too noisy or missing information in one data channel by exploiting other channels, and demonstrate on experimental neuroscience data how the algorithm learns to link different data domains to the underlying dynamics.

Constrained reinforcement learning (CRL) has gained significant interest recently, since safety constraints satisfaction is critical for real-world problems. However, existing CRL methods constraining discounted cumulative costs generally lack rigorous definition and guarantee of safety. In contrast, in the safe control research, safety is defined as persistently satisfying certain state constraints. Such persistent safety is possible only on a subset of the state space, called feasible set, where an optimal largest feasible set exists for a given environment. Recent studies incorporate feasible sets into CRL with energy-based methods such as control barrier function (CBF), safety index (SI), and leverage prior conservative estimations of feasible sets, which harms the performance of the learned policy. To deal with this problem, this paper proposes the reachability CRL (RCRL) method by using reachability analysis to establish the novel self-consistency condition and characterize the feasible sets. The feasible sets are represented by the safety value function, which is used as the constraint in CRL. We use the multi-time scale stochastic approximation theory to prove that the proposed algorithm converges to a local optimum, where the largest feasible set can be guaranteed. Empirical results on different benchmarks validate the learned feasible set, the policy performance, and constraint satisfaction of RCRL, compared to CRL and safe control baselines.

The word mover’s distance (WMD) is a fundamental technique for measuring the similarity of two documents. As the crux of WMD, it can take advantage of the underlying geometry of the word space by employing an optimal transport formulation. The original study on WMD reported that WMD outperforms classical baselines such as bag-of-words (BOW) and TF-IDF by significant margins in various datasets. In this paper, we point out that the evaluation in the original study could be misleading. We re-evaluate the performances of WMD and the classical baselines and find that the classical baselines are competitive with WMD if we employ an appropriate preprocessing, i.e., L1 normalization. In addition, we introduce an analogy between WMD and L1-normalized BOW and find that not only the performance of WMD but also the distance values resemble those of BOW in high dimensional spaces.