OpenRaiser/Intern-Atlas huggingface dataset:
Coresets for Time Series Clustering
Venue: Conference NeurIPS 2021
Year: 2021

We study the problem of constructing coresets for clustering problems with time series data. This problem has gained importance across many fields including biology, medicine, and economics due to the proliferation of sensors facilitating real-time measurement and rapid drop in storage costs. In particular, we consider the setting where the time series data on $N$ entities is generated from a Gaussian mixture model with autocorrelations over $k$ clusters in $\mathbb{R}^d$. Our main contribution is an algorithm to construct coresets for the maximum likelihood objective for this mixture model. Our algorithm is efficient, and under a mild boundedness assumption on the covariance matrices of the underlying Gaussians, the size of the coreset is independent of the number of entities $N$ and the number of observations for each entity, and depends only polynomially on $k$, $d$ and $1/\varepsilon$, where $\varepsilon$ is the error parameter. We empirically assess the performance of our coreset with synthetic data.
A Variational Perspective on Diffusion-Based Generative Models and Score Matching
Venue: Conference NeurIPS 2021
Year: 2021

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.
Does Preprocessing Help Training Over-parameterized Neural Networks?
Venue: Conference NeurIPS 2021
Year: 2021

Deep neural networks have achieved impressive performance in many areas. Designing a fast and provable method for training neural networks is a fundamental question in machine learning. The classical training method requires paying $Ω(mnd)$ cost for both forward computation and backward computation, where $m$ is the width of the neural network, and we are given $n$ training points in $d$-dimensional space. In this paper, we propose two novel preprocessing ideas to bypass this $Ω(mnd)$ barrier: $\bullet$ First, by preprocessing the initial weights of the neural networks, we can train the neural network in $\widetilde{O}(m^{1-Θ(1/d)} n d)$ cost per iteration. $\bullet$ Second, by preprocessing the input data points, we can train the neural network in $\widetilde{O} (m^{4/5} nd )$ cost per iteration. From the technical perspective, our result is a sophisticated combination of tools in different fields, greedy-type convergence analysis in optimization, sparsity observation in practical work, high-dimensional geometric search in data structure, concentration and anti-concentration in probability. Our results also provide theoretical insights for a large number of previously established fast training methods. In addition, our classical algorithm can be generalized to the Quantum computation model. Interestingly, we can get a similar sublinear cost per iteration but avoid preprocessing initial weights or input data points.
Causal Influence Detection for Improving Efficiency in Reinforcement Learning
Venue: Conference NeurIPS 2021
Year: 2021

Many reinforcement learning (RL) environments consist of independent entities that interact sparsely. In such environments, RL agents have only limited influence over other entities in any particular situation. Our idea in this work is that learning can be efficiently guided by knowing when and what the agent can influence with its actions. To achieve this, we introduce a measure of \emph{situation-dependent causal influence} based on conditional mutual information and show that it can reliably detect states of influence. We then propose several ways to integrate this measure into RL algorithms to improve exploration and off-policy learning. All modified algorithms show strong increases in data efficiency on robotic manipulation tasks.
Policy Optimization in Adversarial MDPs: Improved Exploration via Dilated Bonuses
Venue: Conference NeurIPS 2021
Year: 2021

Policy optimization is a widely-used method in reinforcement learning. Due to its local-search nature, however, theoretical guarantees on global optimality often rely on extra assumptions on the Markov Decision Processes (MDPs) that bypass the challenge of global exploration. To eliminate the need of such assumptions, in this work, we develop a general solution that adds dilated bonuses to the policy update to facilitate global exploration. To showcase the power and generality of this technique, we apply it to several episodic MDP settings with adversarial losses and bandit feedback, improving and generalizing the state-of-the-art. Specifically, in the tabular case, we obtain $\widetilde{\mathcal{O}}(\sqrt{T})$ regret where $T$ is the number of episodes, improving the $\widetilde{\mathcal{O}}({T}^{2/3})$ regret bound by Shani et al. (2020). When the number of states is infinite, under the assumption that the state-action values are linear in some low-dimensional features, we obtain $\widetilde{\mathcal{O}}({T}^{2/3})$ regret with the help of a simulator, matching the result of Neu and Olkhovskaya (2020) while importantly removing the need of an exploratory policy that their algorithm requires. When a simulator is unavailable, we further consider a linear MDP setting and obtain $\widetilde{\mathcal{O}}({T}^{14/15})$ regret, which is the first result for linear MDPs with adversarial losses and bandit feedback.
Multiclass versus Binary Differentially Private PAC Learning
Venue: Conference NeurIPS 2021
Year: 2021

We show a generic reduction from multiclass differentially private PAC learning to binary private PAC learning. We apply this transformation to a recently proposed binary private PAC learner to obtain a private multiclass learner with sample complexity that has a polynomial dependence on the multiclass Littlestone dimension and a poly-logarithmic dependence on the number of classes. This yields an exponential improvement in the dependence on both parameters over learners from previous work. Our proof extends the notion of $Ψ$-dimension defined in work of Ben-David et al. [JCSS '95] to the online setting and explores its general properties.
Cycle Self-Training for Domain Adaptation
Venue: Conference NeurIPS 2021
Year: 2021

Mainstream approaches for unsupervised domain adaptation (UDA) learn domain-invariant representations to narrow the domain shift. Recently, self-training has been gaining momentum in UDA, which exploits unlabeled target data by training with target pseudo-labels. However, as corroborated in this work, under distributional shift in UDA, the pseudo-labels can be unreliable in terms of their large discrepancy from target ground truth. Thereby, we propose Cycle Self-Training (CST), a principled self-training algorithm that explicitly enforces pseudo-labels to generalize across domains. CST cycles between a forward step and a reverse step until convergence. In the forward step, CST generates target pseudo-labels with a source-trained classifier. In the reverse step, CST trains a target classifier using target pseudo-labels, and then updates the shared representations to make the target classifier perform well on the source data. We introduce the Tsallis entropy as a confidence-friendly regularization to improve the quality of target pseudo-labels. We analyze CST theoretically under realistic assumptions, and provide hard cases where CST recovers target ground truth, while both invariant feature learning and vanilla self-training fail. Empirical results indicate that CST significantly improves over the state-of-the-arts on visual recognition and sentiment analysis benchmarks.
Stochastic Anderson Mixing for Nonconvex Stochastic Optimization
Venue: Conference NeurIPS 2021
Year: 2021

Anderson mixing (AM) is an acceleration method for fixed-point iterations. Despite its success and wide usage in scientific computing, the convergence theory of AM remains unclear, and its applications to machine learning problems are not well explored. In this paper, by introducing damped projection and adaptive regularization to classical AM, we propose a Stochastic Anderson Mixing (SAM) scheme to solve nonconvex stochastic optimization problems. Under mild assumptions, we establish the convergence theory of SAM, including the almost sure convergence to stationary points and the worst-case iteration complexity. Moreover, the complexity bound can be improved when randomly choosing an iterate as the output. To further accelerate the convergence, we incorporate a variance reduction technique into the proposed SAM. We also propose a preconditioned mixing strategy for SAM which can empirically achieve faster convergence or better generalization ability. Finally, we apply the SAM method to train various neural networks including the vanilla CNN, ResNets, WideResNet, ResNeXt, DenseNet and RNN. Experimental results on image classification and language model demonstrate the advantages of our method.
RMIX: Learning Risk-Sensitive Policies for Cooperative Reinforcement Learning Agents
Venue: Conference NeurIPS 2021
Year: 2021

Current value-based multi-agent reinforcement learning methods optimize individual Q values to guide individuals' behaviours via centralized training with decentralized execution (CTDE). However, such expected, i.e., risk-neutral, Q value is not sufficient even with CTDE due to the randomness of rewards and the uncertainty in environments, which causes the failure of these methods to train coordinating agents in complex environments. To address these issues, we propose RMIX, a novel cooperative MARL method with the Conditional Value at Risk (CVaR) measure over the learned distributions of individuals' Q values. Specifically, we first learn the return distributions of individuals to analytically calculate CVaR for decentralized execution. Then, to handle the temporal nature of the stochastic outcomes during executions, we propose a dynamic risk level predictor for risk level tuning. Finally, we optimize the CVaR policies with CVaR values used to estimate the target in TD error during centralized training and the CVaR values are used as auxiliary local rewards to update the local distribution via Quantile Regression loss. Empirically, we show that our method significantly outperforms state-of-the-art methods on challenging StarCraft II tasks, demonstrating enhanced coordination and improved sample efficiency.
COCO-LM: Correcting and Contrasting Text Sequences for Language Model Pretraining
Venue: Conference NeurIPS 2021
Year: 2021

We present a self-supervised learning framework, COCO-LM, that pretrains Language Models by COrrecting and COntrasting corrupted text sequences. Following ELECTRA-style pretraining, COCO-LM employs an auxiliary language model to corrupt text sequences, upon which it constructs two new tasks for pretraining the main model. The first token-level task, Corrective Language Modeling, is to detect and correct tokens replaced by the auxiliary model, in order to better capture token-level semantics. The second sequence-level task, Sequence Contrastive Learning, is to align text sequences originated from the same source input while ensuring uniformity in the representation space. Experiments on GLUE and SQuAD demonstrate that COCO-LM not only outperforms recent state-of-the-art pretrained models in accuracy, but also improves pretraining efficiency. It achieves the MNLI accuracy of ELECTRA with 50% of its pretraining GPU hours. With the same pretraining steps of standard base/large-sized models, COCO-LM outperforms the previous best models by 1+ GLUE average points.
Active Assessment of Prediction Services as Accuracy Surface Over Attribute Combinations
Venue: Conference NeurIPS 2021
Year: 2021

Our goal is to evaluate the accuracy of a black-box classification model, not as a single aggregate on a given test data distribution, but as a surface over a large number of combinations of attributes characterizing multiple test data distributions. Such attributed accuracy measures become important as machine learning models get deployed as a service, where the training data distribution is hidden from clients, and different clients may be interested in diverse regions of the data distribution. We present Attributed Accuracy Assay (AAA)--a Gaussian Process (GP)--based probabilistic estimator for such an accuracy surface. Each attribute combination, called an 'arm', is associated with a Beta density from which the service's accuracy is sampled. We expect the GP to smooth the parameters of the Beta density over related arms to mitigate sparsity. We show that obvious application of GPs cannot address the challenge of heteroscedastic uncertainty over a huge attribute space that is sparsely and unevenly populated. In response, we present two enhancements: pooling sparse observations, and regularizing the scale parameter of the Beta densities. After introducing these innovations, we establish the effectiveness of AAA in terms of both its estimation accuracy and exploration efficiency, through extensive experiments and analysis.
Learning to Compose Visual Relations
Venue: Conference NeurIPS 2021
Year: 2021

The visual world around us can be described as a structured set of objects and their associated relations. An image of a room may be conjured given only the description of the underlying objects and their associated relations. While there has been significant work on designing deep neural networks which may compose individual objects together, less work has been done on composing the individual relations between objects. A principal difficulty is that while the placement of objects is mutually independent, their relations are entangled and dependent on each other. To circumvent this issue, existing works primarily compose relations by utilizing a holistic encoder, in the form of text or graphs. In this work, we instead propose to represent each relation as an unnormalized density (an energy-based model), enabling us to compose separate relations in a factorized manner. We show that such a factorized decomposition allows the model to both generate and edit scenes that have multiple sets of relations more faithfully. We further show that decomposition enables our model to effectively understand the underlying relational scene structure. Project page at: https://composevisualrelations.github.io/.
Bandits with Knapsacks beyond the Worst Case
Venue: Conference NeurIPS 2021
Year: 2021

Bandits with Knapsacks (BwK) is a general model for multi-armed bandits under supply/budget constraints. While worst-case regret bounds for BwK are well-understood, we present three results that go beyond the worst-case perspective. First, we provide upper and lower bounds which amount to a full characterization for logarithmic, instance-dependent regret rates. Second, we consider "simple regret" in BwK, which tracks algorithm's performance in a given round, and prove that it is small in all but a few rounds. Third, we provide a general "reduction" from BwK to bandits which takes advantage of some known helpful structure, and apply this reduction to combinatorial semi-bandits, linear contextual bandits, and multinomial-logit bandits. Our results build on the BwK algorithm from \citet{AgrawalDevanur-ec14}, providing new analyses thereof.
Meta-learning to Improve Pre-training
Venue: Conference NeurIPS 2021
Year: 2021

Pre-training (PT) followed by fine-tuning (FT) is an effective method for training neural networks, and has led to significant performance improvements in many domains. PT can incorporate various design choices such as task and data reweighting strategies, augmentation policies, and noise models, all of which can significantly impact the quality of representations learned. The hyperparameters introduced by these strategies therefore must be tuned appropriately. However, setting the values of these hyperparameters is challenging. Most existing methods either struggle to scale to high dimensions, are too slow and memory-intensive, or cannot be directly applied to the two-stage PT and FT learning process. In this work, we propose an efficient, gradient-based algorithm to meta-learn PT hyperparameters. We formalize the PT hyperparameter optimization problem and propose a novel method to obtain PT hyperparameter gradients by combining implicit differentiation and backpropagation through unrolled optimization. We demonstrate that our method improves predictive performance on two real-world domains. First, we optimize high-dimensional task weighting hyperparameters for multitask pre-training on protein-protein interaction graphs and improve AUROC by up to 3.9%. Second, we optimize a data augmentation neural network for self-supervised PT with SimCLR on electrocardiography data and improve AUROC by up to 1.9%.
Fair Sparse Regression with Clustering: An Invex Relaxation for a Combinatorial Problem
Venue: Conference NeurIPS 2021
Year: 2021

In this paper, we study the problem of fair sparse regression on a biased dataset where bias depends upon a hidden binary attribute. The presence of a hidden attribute adds an extra layer of complexity to the problem by combining sparse regression and clustering with unknown binary labels. The corresponding optimization problem is combinatorial, but we propose a novel relaxation of it as an \emph{invex} optimization problem. To the best of our knowledge, this is the first invex relaxation for a combinatorial problem. We show that the inclusion of the debiasing/fairness constraint in our model has no adverse effect on the performance. Rather, it enables the recovery of the hidden attribute. The support of our recovered regression parameter vector matches exactly with the true parameter vector. Moreover, we simultaneously solve the clustering problem by recovering the exact value of the hidden attribute for each sample. Our method uses carefully constructed primal dual witnesses to provide theoretical guarantees for the combinatorial problem. To that end, we show that the sample complexity of our method is logarithmic in terms of the dimension of the regression parameter vector.
The Difficulty of Passive Learning in Deep Reinforcement Learning
Venue: Conference NeurIPS 2021
Year: 2021

Learning to act from observational data without active environmental interaction is a well-known challenge in Reinforcement Learning (RL). Recent approaches involve constraints on the learned policy or conservative updates, preventing strong deviations from the state-action distribution of the dataset. Although these methods are evaluated using non-linear function approximation, theoretical justifications are mostly limited to the tabular or linear cases. Given the impressive results of deep reinforcement learning, we argue for a need to more clearly understand the challenges in this setting. In the vein of Held & Hein's classic 1963 experiment, we propose the "tandem learning" experimental paradigm which facilitates our empirical analysis of the difficulties in offline reinforcement learning. We identify function approximation in conjunction with fixed data distributions as the strongest factors, thereby extending but also challenging hypotheses stated in past work. Our results provide relevant insights for offline deep reinforcement learning, while also shedding new light on phenomena observed in the online case of learning control.
Intriguing Properties of Vision Transformers
Venue: Conference NeurIPS 2021
Year: 2021

Vision transformers (ViT) have demonstrated impressive performance across various machine vision problems. These models are based on multi-head self-attention mechanisms that can flexibly attend to a sequence of image patches to encode contextual cues. An important question is how such flexibility in attending image-wide context conditioned on a given patch can facilitate handling nuisances in natural images e.g., severe occlusions, domain shifts, spatial permutations, adversarial and natural perturbations. We systematically study this question via an extensive set of experiments encompassing three ViT families and comparisons with a high-performing convolutional neural network (CNN). We show and analyze the following intriguing properties of ViT: (a) Transformers are highly robust to severe occlusions, perturbations and domain shifts, e.g., retain as high as 60% top-1 accuracy on ImageNet even after randomly occluding 80% of the image content. (b) The robust performance to occlusions is not due to a bias towards local textures, and ViTs are significantly less biased towards textures compared to CNNs. When properly trained to encode shape-based features, ViTs demonstrate shape recognition capability comparable to that of human visual system, previously unmatched in the literature. (c) Using ViTs to encode shape representation leads to an interesting consequence of accurate semantic segmentation without pixel-level supervision. (d) Off-the-shelf features from a single ViT model can be combined to create a feature ensemble, leading to high accuracy rates across a range of classification datasets in both traditional and few-shot learning paradigms. We show effective features of ViTs are due to flexible and dynamic receptive fields possible via the self-attention mechanism.
Editing a classifier by rewriting its prediction rules
Venue: Conference NeurIPS 2021
Year: 2021

We present a methodology for modifying the behavior of a classifier by directly rewriting its prediction rules. Our approach requires virtually no additional data collection and can be applied to a variety of settings, including adapting a model to new environments, and modifying it to ignore spurious features. Our code is available at https://github.com/MadryLab/EditingClassifiers .
Contrast and Mix: Temporal Contrastive Video Domain Adaptation with Background Mixing
Venue: Conference NeurIPS 2021
Year: 2021

Unsupervised domain adaptation which aims to adapt models trained on a labeled source domain to a completely unlabeled target domain has attracted much attention in recent years. While many domain adaptation techniques have been proposed for images, the problem of unsupervised domain adaptation in videos remains largely underexplored. In this paper, we introduce Contrast and Mix (CoMix), a new contrastive learning framework that aims to learn discriminative invariant feature representations for unsupervised video domain adaptation. First, unlike existing methods that rely on adversarial learning for feature alignment, we utilize temporal contrastive learning to bridge the domain gap by maximizing the similarity between encoded representations of an unlabeled video at two different speeds as well as minimizing the similarity between different videos played at different speeds. Second, we propose a novel extension to the temporal contrastive loss by using background mixing that allows additional positives per anchor, thus adapting contrastive learning to leverage action semantics shared across both domains. Moreover, we also integrate a supervised contrastive learning objective using target pseudo-labels to enhance discriminability of the latent space for video domain adaptation. Extensive experiments on several benchmark datasets demonstrate the superiority of our proposed approach over state-of-the-art methods. Project page: https://cvir.github.io/projects/comix