NeurIPS 2020 论文列表

Offline reinforcement learning, wherein one uses off-policy data logged by a fixed behavior policy to evaluate and learn new policies, is crucial in applications where experimentation is limited such as medicine. We study the estimation of policy value and gradient of a deterministic policy from off-policy data when actions are continuous. Targeting deterministic policies, for which action is a deterministic function of state, is crucial since optimal policies are always deterministic (up to ties). In this setting, standard importance sampling and doubly robust estimators for policy value and gradient fail because the density ratio does not exist. To circumvent this issue, we propose several new doubly robust estimators based on different kernelization approaches. We analyze the asymptotic mean-squared error of each of these under mild rate conditions for nuisance estimators. Specifically, we demonstrate how to obtain a rate that is independent of the horizon length.

Domain generalization aims to learn from multiple source domains a predictive model that can generalize to unseen target domains. One essential problem in domain generalization is to learn discriminative domain-invariant features. To arrive at this, some methods introduce a domain discriminator through adversarial learning to match the feature distributions in multiple source domains. However, adversarial training can only guarantee that the learned features have invariant marginal distributions, while the invariance of conditional distributions is more important for prediction in new domains. To ensure the conditional invariance of learned features, we propose an entropy regularization term that measures the dependency between the learned features and the class labels. Combined with the typical task-related loss, e.g., cross-entropy loss for classification, and adversarial loss for domain discrimination, our overall objective is guaranteed to learn conditional-invariant features across all source domains and thus can learn classifiers with better generalization capabilities. We demonstrate the effectiveness of our method through comparison with state-of-the-art methods on both simulated and real-world datasets. Code is available at: https://github.com/sshan-zhao/DG

Recently, we have witnessed great progress in the field of medical imaging classification by adopting deep neural networks. However, the recent advanced models still require accessing sufficiently large and representative datasets for training, which is often unfeasible in clinically realistic environments. When trained on limited datasets, the deep neural network is lack of generalization capability, as the trained deep neural network on data within a certain distribution (e.g. the data captured by a certain device vendor or patient population) may not be able to generalize to the data with another distribution. In this paper, we introduce a simple but effective approach to improve the generalization capability of deep neural networks in the field of medical imaging classification. Motivated by the observation that the domain variability of the medical images is to some extent compact, we propose to learn a representative feature space through variational encoding with a novel linear-dependency regularization term to capture the shareable information among medical data collected from different domains. As a result, the trained neural network is expected to equip with better generalization capability to the ``unseen" medical data. Experimental results on two challenging medical imaging classification tasks indicate that our method can achieve better cross-domain generalization capability compared with state-of-the-art baselines.

Adversarial learning has demonstrated good performance in the unsupervised domain adaptation setting, by learning domain-invariant representations. However, recent work has shown limitations of this approach when label distributions differ between the source and target domains. In this paper, we propose a new assumption, \textit{generalized label shift} ($\glsa$), to improve robustness against mismatched label distributions. $\glsa$ states that, conditioned on the label, there exists a representation of the input that is invariant between the source and target domains. Under $\glsa$, we provide theoretical guarantees on the transfer performance of any classifier. We also devise necessary and sufficient conditions for $\glsa$ to hold, by using an estimation of the relative class weights between domains and an appropriate reweighting of samples. Our weight estimation method could be straightforwardly and generically applied in existing domain adaptation (DA) algorithms that learn domain-invariant representations, with small computational overhead. In particular, we modify three DA algorithms, JAN, DANN and CDAN, and evaluate their performance on standard and artificial DA tasks. Our algorithms outperform the base versions, with vast improvements for large label distribution mismatches. Our code is available at \url{https://tinyurl.com/y585xt6j}.

This paper is concerned with data-driven unsupervised domain adaptation, where it is unknown in advance how the joint distribution changes across domains, i.e., what factors or modules of the data distribution remain invariant or change across domains. To develop an automated way of domain adaptation with multiple source domains, we propose to use a graphical model as a compact way to encode the change property of the joint distribution, which can be learned from data, and then view domain adaptation as a problem of Bayesian inference on the graphical models. Such a graphical model distinguishes between constant and varied modules of the distribution and specifies the properties of the changes across domains, which serves as prior knowledge of the changing modules for the purpose of deriving the posterior of the target variable $Y$ in the target domain. This provides an end-to-end framework of domain adaptation, in which additional knowledge about how the joint distribution changes, if available, can be directly incorporated to improve the graphical representation. We discuss how causality-based domain adaptation can be put under this umbrella. Experimental results on both synthetic and real data demonstrate the efficacy of the proposed framework for domain adaptation.

Existing Neural Architecture Search (NAS) methods either encode neural architectures using discrete encodings that do not scale well, or adopt supervised learning-based methods to jointly learn architecture representations and optimize architecture search on such representations which incurs search bias. Despite the widespread use, architecture representations learned in NAS are still poorly understood. We observe that the structural properties of neural architectures are hard to preserve in the latent space if architecture representation learning and search are coupled, resulting in less effective search performance. In this work, we find empirically that pre-training architecture representations using only neural architectures without their accuracies as labels improves the downstream architecture search efficiency. To explain this finding, we visualize how unsupervised architecture representation learning better encourages neural architectures with similar connections and operators to cluster together. This helps map neural architectures with similar performance to the same regions in the latent space and makes the transition of architectures in the latent space relatively smooth, which considerably benefits diverse downstream search strategies.

Transfer learning is a widely-used paradigm in deep learning, where models pre-trained on standard datasets can be efficiently adapted to downstream tasks. Typically, better pre-trained models yield better transfer results, suggesting that initial accuracy is a key aspect of transfer learning performance. In this work, we identify another such aspect: we find that adversarially robust models, while less accurate, often perform better than their standard-trained counterparts when used for transfer learning. Specifically, we focus on adversarially robust ImageNet classifiers, and show that they yield improved accuracy on a standard suite of downstream classification tasks. Further analysis uncovers more differences between robust and standard models in the context of transfer learning. Our results are consistent with (and in fact, add to) recent hypotheses stating that robustness leads to improved feature representations. Code and models is available in the supplementary material.

Many science, engineering, and design optimization problems require balancing the trade-offs between several conflicting objectives. The objectives are often black-box functions whose evaluations are time-consuming and costly. Multi-objective Bayesian optimization can be used to automate the process of discovering the set of optimal solutions, called Pareto-optimal, while minimizing the number of performed evaluations. To further reduce the evaluation time in the optimization process, testing of several samples in parallel can be deployed. We propose a novel multi-objective Bayesian optimization algorithm that iteratively selects the best batch of samples to be evaluated in parallel. Our algorithm approximates and analyzes a piecewise-continuous Pareto set representation. This representation allows us to introduce a batch selection strategy that optimizes for both hypervolume improvement and diversity of selected samples in order to efficiently advance promising regions of the Pareto front. Experiments on both synthetic test functions and real-world benchmark problems show that our algorithm predominantly outperforms relevant state-of-the-art methods. Code is available at https://github.com/yunshengtian/DGEMO.

Adversarial attacks often involve random perturbations of the inputs drawn from uniform or Gaussian distributions, e.g. to initialize optimization-based white-box attacks or generate update directions in black-box attacks. These simple perturbations, however, could be sub-optimal as they are agnostic to the model being attacked. To improve the efficiency of these attacks, we propose Output Diversified Sampling (ODS), a novel sampling strategy that attempts to maximize diversity in the target model's outputs among the generated samples. While ODS is a gradient-based strategy, the diversity offered by ODS is transferable and can be helpful for both white-box and black-box attacks via surrogate models. Empirically, we demonstrate that ODS significantly improves the performance of existing white-box and black-box attacks. In particular, ODS reduces the number of queries needed for state-of-the-art black-box attacks on ImageNet by a factor of two.

Diverse image captioning models aim to learn one-to-many mappings that are innate to cross-domain datasets, such as of images and texts. Current methods for this task are based on generative latent variable models, eg. VAEs with structured latent spaces. Yet, the amount of multimodality captured by prior work is limited to that of the paired training data -- the true diversity of the underlying generative process is not fully captured. To address this limitation, we leverage the contextual descriptions in the dataset that explain similar contexts in different visual scenes. To this end, we introduce a novel factorization of the latent space, termed context-object split, to model diversity in contextual descriptions across images and texts within the dataset. Our framework not only enables diverse captioning through context-based pseudo supervision, but extends this to images with novel objects and without paired captions in the training data. We evaluate our COS-CVAE approach on the standard COCO dataset and on the held-out COCO dataset consisting of images with novel objects, showing significant gains in accuracy and diversity.

We consider the parameter estimation problem of a probabilistic generative model prescribed using a natural exponential family of distributions. For this problem, the typical maximum likelihood estimator usually overfits under limited training sample size, is sensitive to noise and may perform poorly on downstream predictive tasks. To mitigate these issues, we propose a distributionally robust maximum likelihood estimator that minimizes the worst-case expected log-loss uniformly over a parametric Kullback-Leibler ball around a parametric nominal distribution. Leveraging the analytical expression of the Kullback-Leibler divergence between two distributions in the same natural exponential family, we show that the min-max estimation problem is tractable in a broad setting, including the robust training of generalized linear models. Our novel robust estimator also enjoys statistical consistency and delivers promising empirical results in both regression and classification tasks.

Conditional estimation given specific covariate values (i.e., local conditional estimation or functional estimation) is ubiquitously useful with applications in engineering, social and natural sciences. Existing data-driven non-parametric estimators mostly focus on structured homogeneous data (e.g., weakly independently and stationary data), thus they are sensitive to adversarial noise and may perform poorly under a low sample size. To alleviate these issues, we propose a new distributionally robust estimator that generates non-parametric local estimates by minimizing the worst-case conditional expected loss over all adversarial distributions in a Wasserstein ambiguity set. We show that despite being generally intractable, the local estimator can be efficiently found via convex optimization under broadly applicable settings, and it is robust to the corruption and heterogeneity of the data. Various experiments show the competitive performance of this new class of estimator.

In this paper, we study communication efficient distributed algorithms for distributionally robust federated learning via periodic averaging with adaptive sampling. In contrast to standard empirical risk minimization, due to the minimax structure of the underlying optimization problem, a key difficulty arises from the fact that the global parameter that controls the mixture of local losses can only be updated infrequently on the global stage. To compensate for this, we propose a Distributionally Robust Federated Averaging (DRFA) algorithm that employs a novel snapshotting scheme to approximate the accumulation of history gradients of the mixing parameter. We analyze the convergence rate of DRFA in both convex-linear and nonconvex-linear settings. We also generalize the proposed idea to objectives with regularization on the mixture parameter and propose a proximal variant, dubbed as DRFA-Prox, with provable convergence rates. We also analyze an alternative optimization method for regularized case in strongly-convex-strongly-concave and non-convex (under PL condition)-strongly-concave settings. To the best of our knowledge, this paper is the first to solve distributionally robust federated learning with reduced communication, and to analyze the efficiency of local descent methods on distributed minimax problems. We give corroborating experimental evidence for our theoretical results in federated learning settings.

Robustness to adversarial attacks is an important concern due to the fragility of deep neural networks to small perturbations, and has received an abundance of attention in recent years. Distributional Robust Optimization (DRO), a particularly promising way of addressing this challenge, studies robustness via divergence-based uncertainty sets and has provided valuable insights into robustification strategies such as regularisation. In the context of machine learning, majority of existing results have chosen $f$-divergences, Wasserstein distances and more recently, the Maximum Mean Discrepancy (MMD) to construct uncertainty sets. We extend this line of work for the purposes of understanding robustness via regularization by studying uncertainty sets constructed with Integral Probability Metrics (IPMs) - a large family of divergences including the MMD, Total Variation and Wasserstein distances. Our main result shows that DRO under \textit{any} choice of IPM corresponds to a family of regularization penalties, which recover and improve upon existing results in the setting of MMD and Wasserstein distances. Due to the generality of our result, we show that other choices of IPMs correspond to other commonly used penalties in machine learning. Furthermore, we extend our results to shed light on adversarial generative modelling via $f$-GANs, constituting the first study of distributional robustness for the $f$-GAN objective. Our results unveil the inductive properties of the discriminator set with regards to robustness, allowing us to give positive comments for a number of existing penalty-based GAN methods such as Wasserstein-, MMD- and Sobolev-GANs. In summary, our results intimately link GANs to distributional robustness, extend previous results on DRO and contribute to our understanding of the link between regularization and robustness at large.

We study three notions of uncertainty quantification---calibration, confidence intervals and prediction sets---for binary classification in the distribution-free setting, that is without making any distributional assumptions on the data. With a focus towards calibration, we establish a 'tripod' of theorems that connect these three notions for score-based classifiers. A direct implication is that distribution-free calibration is only possible, even asymptotically, using a scoring function whose level sets partition the feature space into at most countably many sets. Parametric calibration schemes such as variants of Platt scaling do not satisfy this requirement, while nonparametric schemes based on binning do. To close the loop, we derive distribution-free confidence intervals for binned probabilities for both fixed-width and uniform-mass binning. As a consequence of our 'tripod' theorems, these confidence intervals for binned probabilities lead to distribution-free calibration. We also derive extensions to settings with streaming data and covariate shift.

In crowd counting, each training image contains multiple people, where each person is annotated by a dot. Existing crowd counting methods need to use a Gaussian to smooth each annotated dot or to estimate the likelihood of every pixel given the annotated point. In this paper, we show that imposing Gaussians to annotations hurts generalization performance. Instead, we propose to use Distribution Matching for crowd COUNTing (DM-Count). In DM-Count, we use Optimal Transport (OT) to measure the similarity between the normalized predicted density map and the normalized ground truth density map. To stabilize OT computation, we include a Total Variation loss in our model. We show that the generalization error bound of DM-Count is tighter than that of the Gaussian smoothed methods. In terms of Mean Absolute Error, DM-Count outperforms the previous state-of-the-art methods by a large margin on two large-scale counting datasets, UCF-QNRF and NWPU, and achieves the state-of-the-art results on the ShanghaiTech and UCF-CC50 datasets. DM-Count reduced the error of the state-of-the-art published result by approximately 16%. Code is available at https://github.com/cvlab-stonybrook/DM-Count.

While semi-supervised learning (SSL) has proven to be a promising way for leveraging unlabeled data when labeled data is scarce, the existing SSL algorithms typically assume that training class distributions are balanced. However, these SSL algorithms trained under imbalanced class distributions can severely suffer when generalizing to a balanced testing criterion, since they utilize biased pseudo-labels of unlabeled data toward majority classes. To alleviate this issue, we formulate a convex optimization problem to softly refine the pseudo-labels generated from the biased model, and develop a simple algorithm, named Distribution Aligning Refinery of Pseudo-label (DARP) that solves it provably and efficiently. Under various class imbalanced semi-supervised scenarios, we demonstrate the effectiveness of DARP and its compatibility with state-of-the-art SSL schemes.

Recently, there is a growing interest in the study of median-based algorithms for distributed non-convex optimization. Two prominent examples include signSGD with majority vote, an effective approach for communication reduction via 1-bit compression on the local gradients, and medianSGD, an algorithm recently proposed to ensure robustness against Byzantine workers. The convergence analyses for these algorithms critically rely on the assumption that all the distributed data are drawn iid from the same distribution. However, in applications such as Federated Learning, the data across different nodes or machines can be inherently heterogeneous, which violates such an iid assumption. This work analyzes signSGD and medianSGD in distributed settings with heterogeneous data. We show that these algorithms are non-convergent whenever there is some disparity between the expected median and mean over the local gradients. To overcome this gap, we provide a novel gradient correction mechanism that perturbs the local gradients with noise, which we show can provably close the gap between mean and median of the gradients. The proposed methods largely preserve nice properties of these median-based algorithms, such as the low per-iteration communication complexity of signSGD, and further enjoy global convergence to stationary solutions. Our perturbation technique can be of independent interest when one wishes to estimate mean through a median estimator.

We develop a distributed second order optimization algorithm that is communication-efficient as well as robust against Byzantine failures of the worker machines. We propose an iterative approximate Newton-type algorithm, where the worker machines communicate \emph{only once} per iteration with the central machine. This is in sharp contrast with the state-of-the-art distributed second order algorithms like GIANT \cite{giant}, DINGO\cite{dingo}, where the worker machines send (functions of) local gradient and Hessian sequentially; thus ending up communicating twice with the central machine per iteration. Furthermore, we employ a simple norm based thresholding rule to filter-out the Byzantine worker machines. We establish the linear-quadratic rate of convergence of our proposed algorithm and establish that the communication savings and Byzantine resilience attributes only correspond to a small statistical error rate for arbitrary convex loss functions. To the best of our knowledge, this is the first work that addresses the issue of Byzantine resilience in second order distributed optimization. Furthermore, we validate our theoretical results with extensive experiments on synthetically generated and benchmark LIBSVM \cite{libsvm} data-set and demonstrate convergence guarantees.