NeurIPS 2021 Papers

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

Transformers have achieved success in both language and vision domains. However, it is prohibitively expensive to scale them to long sequences such as long documents or high-resolution images, because self-attention mechanism has quadratic time and memory complexities with respect to the input sequence length. In this paper, we propose Long-Short Transformer (Transformer-LS), an efficient self-attention mechanism for modeling long sequences with linear complexity for both language and vision tasks. It aggregates a novel long-range attention with dynamic projection to model distant correlations and a short-term attention to capture fine-grained local correlations. We propose a dual normalization strategy to account for the scale mismatch between the two attention mechanisms. Transformer-LS can be applied to both autoregressive and bidirectional models without additional complexity. Our method outperforms the state-of-the-art models on multiple tasks in language and vision domains, including the Long Range Arena benchmark, autoregressive language modeling, and ImageNet classification. For instance, Transformer-LS achieves 0.97 test BPC on enwik8 using half the number of parameters than previous method, while being faster and is able to handle 3x as long sequences compared to its full-attention version on the same hardware. On ImageNet, it can obtain the state-of-the-art results (e.g., a moderate size of 55.8M model solely trained on 224x224 ImageNet-1K can obtain Top-1 accuracy 84.1%), while being more scalable on high-resolution images. The source code and models are released at https://github.com/NVIDIA/transformer-ls.

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

Weakly supervised semantic segmentation produces pixel-level localization from class labels; however, a classifier trained on such labels is likely to focus on a small discriminative region of the target object. We interpret this phenomenon using the information bottleneck principle: the final layer of a deep neural network, activated by the sigmoid or softmax activation functions, causes an information bottleneck, and as a result, only a subset of the task-relevant information is passed on to the output. We first support this argument through a simulated toy experiment and then propose a method to reduce the information bottleneck by removing the last activation function. In addition, we introduce a new pooling method that further encourages the transmission of information from non-discriminative regions to the classification. Our experimental evaluations demonstrate that this simple modification significantly improves the quality of localization maps on both the PASCAL VOC 2012 and MS COCO 2014 datasets, exhibiting a new state-of-the-art performance for weakly supervised semantic segmentation.

In low-level vision such as single image super-resolution (SISR), traditional MSE or L_1 loss function treats every pixel equally with the assumption that the importance of all pixels is the same. However, it has been long recognized that texture and edge areas carry more important visual information than smooth areas in photographic images. How to achieve such spatial adaptation in a principled manner has been an open problem in both traditional model-based and modern learning-based approaches toward SISR. In this paper, we propose a new adaptive weighted loss for SISR to train deep networks focusing on challenging situations such as textured and edge pixels with high uncertainty. Specifically, we introduce variance estimation characterizing the uncertainty on a pixel-by-pixel basis into SISR solutions so the targeted pixels in a high-resolution image (mean) and their corresponding uncertainty (variance) can be learned simultaneously. Moreover, uncertainty estimation allows us to leverage conventional wisdom such as sparsity prior for regularizing SISR solutions. Ultimately, pixels with large certainty (e.g., texture and edge pixels) will be prioritized for SISR according to their importance to visual quality. For the first time, we demonstrate that such uncertainty-driven loss can achieve better results than MSE or L_1 loss for a wide range of network architectures. Experimental results on three popular SISR networks show that our proposed uncertainty-driven loss has achieved better PSNR performance than traditional loss functions without any increased computation during testing. The code is available at https://see.xidian.edu.cn/faculty/wsdong/Projects/UDL-SR.htm

To benefit the learning of a new task, meta-learning has been proposed to transfer a well-generalized meta-model learned from various meta-training tasks. Existing meta-learning algorithms randomly sample meta-training tasks with a uniform probability, under the assumption that tasks are of equal importance. However, it is likely that tasks are detrimental with noise or imbalanced given a limited number of meta-training tasks. To prevent the meta-model from being corrupted by such detrimental tasks or dominated by tasks in the majority, in this paper, we propose an adaptive task scheduler (ATS) for the meta-training process. In ATS, for the first time, we design a neural scheduler to decide which meta-training tasks to use next by predicting the probability being sampled for each candidate task, and train the scheduler to optimize the generalization capacity of the meta-model to unseen tasks. We identify two meta-model-related factors as the input of the neural scheduler, which characterize the difficulty of a candidate task to the meta-model. Theoretically, we show that a scheduler taking the two factors into account improves the meta-training loss and also the optimization landscape. Under the setting of meta-learning with noise and limited budgets, ATS improves the performance on both miniImageNet and a real-world drug discovery benchmark by up to 13% and 18%, respectively, compared to state-of-the-art task schedulers.

Automatically detecting anomalies in event data can provide substantial value in domains such as healthcare, DevOps, and information security. In this paper, we frame the problem of detecting anomalous continuous-time event sequences as out-of-distribution (OOD) detection for temporal point processes (TPPs). First, we show how this problem can be approached using goodness-of-fit (GoF) tests. We then demonstrate the limitations of popular GoF statistics for TPPs and propose a new test that addresses these shortcomings. The proposed method can be combined with various TPP models, such as neural TPPs, and is easy to implement. In our experiments, we show that the proposed statistic excels at both traditional GoF testing, as well as at detecting anomalies in simulated and real-world data.

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.

Bayesian optimization (BO) conventionally relies on handcrafted acquisition functions (AFs) to sequentially determine the sample points. However, it has been widely observed in practice that the best-performing AF in terms of regret can vary significantly under different types of black-box functions. It has remained a challenge to design one AF that can attain the best performance over a wide variety of black-box functions. This paper aims to attack this challenge through the perspective of reinforced few-shot AF learning (FSAF). Specifically, we first connect the notion of AFs with Q-functions and view a deep Q-network (DQN) as a surrogate differentiable AF. While it serves as a natural idea to combine DQN and an existing few-shot learning method, we identify that such a direct combination does not perform well due to severe overfitting, which is particularly critical in BO due to the need of a versatile sampling policy. To address this, we present a Bayesian variant of DQN with the following three features: (i) It learns a distribution of Q-networks as AFs based on the Kullback-Leibler regularization framework. This inherently provides the uncertainty required in sampling for BO and mitigates overfitting. (ii) For the prior of the Bayesian DQN, we propose to use a demo policy induced by an off-the-shelf AF for better training stability. (iii) On the meta-level, we leverage the meta-loss of Bayesian model-agnostic meta-learning, which serves as a natural companion to the proposed FSAF. Moreover, with the proper design of the Q-networks, FSAF is general-purpose in that it is agnostic to the dimension and the cardinality of the input domain. Through extensive experiments, we demonstrate that the FSAF achieves comparable or better regrets than the state-of-the-art benchmarks on a wide variety of synthetic and real-world test functions.

Graph Convolutional Networks (GCNs), aiming to obtain the representation of a node by aggregating its neighbors, have demonstrated great power in tackling various analytics tasks on graph (network) data. The remarkable performance of GCNs typically relies on the homophily assumption of networks, while such assumption cannot always be satisfied, since the heterophily or randomness are also widespread in real-world. This gives rise to one fundamental question: whether networks with different structural properties should adopt different propagation mechanisms? In this paper, we first conduct an experimental investigation. Surprisingly, we discover that there are actually segmentation rules for the propagation mechanism, i.e., 1-hop, 2-hop and $k$-nearest neighbor ($k$NN) neighbors are more suitable as neighborhoods of network with complete homophily, complete heterophily and randomness, respectively. However, the real-world networks are complex, and may present diverse structural properties, e.g., the network dominated by homophily may contain a small amount of randomness. So can we reasonably utilize these segmentation rules to design a universal propagation mechanism independent of the network structural assumption? To tackle this challenge, we develop a new universal GCN framework, namely U-GCN. It first introduces a multi-type convolution to extract information from 1-hop, 2-hop and $k$NN networks simultaneously, and then designs a discriminative aggregation to sufficiently fuse them aiming to given learning objectives. Extensive experiments demonstrate the superiority of U-GCN over state-of-the-arts. The code and data are available at https://github.com/jindi-tju.

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

We consider sequential optimization of an unknown function in a reproducing kernel Hilbert space. We propose a Gaussian process-based algorithm and establish its order-optimal regret performance (up to a poly-logarithmic factor). This is the first GP-based algorithm with an order-optimal regret guarantee. The proposed algorithm is rooted in the methodology of domain shrinking realized through a sequence of tree-based region pruning and refining to concentrate queries in increasingly smaller high-performing regions of the function domain. The search for high-performing regions is localized and guided by an iterative estimation of the optimal function value to ensure both learning efficiency and computational efficiency. Compared with the prevailing GP-UCB family of algorithms, the proposed algorithm reduces computational complexity by a factor of $O(T^{2d-1})$ (where $T$ is the time horizon and $d$ the dimension of the function domain).

The state-of-the-art deep neural networks are vulnerable to common corruptions (e.g., input data degradations, distortions, and disturbances caused by weather changes, system error, and processing). While much progress has been made in analyzing and improving the robustness of models in image understanding, the robustness in video understanding is largely unexplored. In this paper, we establish a corruption robustness benchmark, Mini Kinetics-C and Mini SSV2-C, which considers temporal corruptions beyond spatial corruptions in images. We make the first attempt to conduct an exhaustive study on the corruption robustness of established CNN-based and Transformer-based spatial-temporal models. The study provides some guidance on robust model design and training: Transformer-based model performs better than CNN-based models on corruption robustness; the generalization ability of spatial-temporal models implies robustness against temporal corruptions; model corruption robustness (especially robustness in the temporal domain) enhances with computational cost and model capacity, which may contradict the current trend of improving the computational efficiency of models. Moreover, we find the robustness intervention for image-related tasks (e.g., training models with noise) may not work for spatial-temporal models. Our codes are available on https://github.com/Newbeeyoung/Video-Corruption-Robustness.

The Hilbert-Schmidt Independence Criterion (HSIC) is a powerful kernel-based statistic for assessing the generalized dependence between two multivariate variables. However, independence testing based on the HSIC is not directly possible for cluster-correlated data. Such a correlation pattern among the observations arises in many practical situations, e.g., family-based and longitudinal data, and requires proper accommodation. Therefore, we propose a novel HSIC-based independence test to evaluate the dependence between two multivariate variables based on cluster-correlated data. Using the previously proposed empirical HSIC as our test statistic, we derive its asymptotic distribution under the null hypothesis of independence between the two variables but in the presence of sample correlation. Based on both simulation studies and real data analysis, we show that, with clustered data, our approach effectively controls type I error and has a higher statistical power than competing methods.

Humans and animals explore their environment and acquire useful skills even in the absence of clear goals, exhibiting intrinsic motivation. The study of intrinsic motivation in artificial agents is concerned with the following question: what is a good general-purpose objective for an agent? We study this question in dynamic partially-observed environments, and argue that a compact and general learning objective is to minimize the entropy of the agent's state visitation estimated using a latent state-space model. This objective induces an agent to both gather information about its environment, corresponding to reducing uncertainty, and to gain control over its environment, corresponding to reducing the unpredictability of future world states. We instantiate this approach as a deep reinforcement learning agent equipped with a deep variational Bayes filter. We find that our agent learns to discover, represent, and exercise control of dynamic objects in a variety of partially-observed environments sensed with visual observations without extrinsic reward.

Works on lottery ticket hypothesis (LTH) and single-shot network pruning (SNIP) have raised a lot of attention currently on post-training pruning (iterative magnitude pruning), and before-training pruning (pruning at initialization). The former method suffers from an extremely large computation cost and the latter usually struggles with insufficient performance. In comparison, during-training pruning, a class of pruning methods that simultaneously enjoys the training/inference efficiency and the comparable performance, temporarily, has been less explored. To better understand during-training pruning, we quantitatively study the effect of pruning throughout training from the perspective of pruning plasticity (the ability of the pruned networks to recover the original performance). Pruning plasticity can help explain several other empirical observations about neural network pruning in literature. We further find that pruning plasticity can be substantially improved by injecting a brain-inspired mechanism called neuroregeneration, i.e., to regenerate the same number of connections as pruned. We design a novel gradual magnitude pruning (GMP) method, named gradual pruning with zero-cost neuroregeneration (GraNet), that advances state of the art. Perhaps most impressively, its sparse-to-sparse version for the first time boosts the sparse-to-sparse training performance over various dense-to-sparse methods with ResNet-50 on ImageNet without extending the training time. We release all codes in https://github.com/Shiweiliuiiiiiii/GraNet.

Almost every single image restoration problem has a closely related parameter, such as the scale factor in super-resolution, the noise level in image denoising, and the quality factor in JPEG deblocking. Although recent studies on image restoration problems have achieved great success due to the development of deep neural networks, they handle the parameter involved in an unsophisticated way. Most previous researchers either treat problems with different parameter levels as independent tasks, and train a specific model for each parameter level; or simply ignore the parameter, and train a single model for all parameter levels. The two popular approaches have their own shortcomings. The former is inefficient in computing and the latter is ineffective in performance. In this work, we propose a novel system called functional neural network (FuncNet) to solve a parametric image restoration problem with a single model. Unlike a plain neural network, the smallest conceptual element of our FuncNet is no longer a floating-point variable, but a function of the parameter of the problem. This feature makes it both efficient and effective for a parametric problem. We apply FuncNet to super-resolution, image denoising, and JPEG deblocking. The experimental results show the superiority of our FuncNet on all three parametric image restoration tasks over the state of the arts.

Spectral normalization (SN) is a widely-used technique for improving the stability and sample quality of Generative Adversarial Networks (GANs). However, current understanding of SN's efficacy is limited. In this work, we show that SN controls two important failure modes of GAN training: exploding and vanishing gradients. Our proofs illustrate a (perhaps unintentional) connection with the successful LeCun initialization. This connection helps to explain why the most popular implementation of SN for GANs requires no hyper-parameter tuning, whereas stricter implementations of SN have poor empirical performance out-of-the-box. Unlike LeCun initialization which only controls gradient vanishing at the beginning of training, SN preserves this property throughout training. Building on this theoretical understanding, we propose a new spectral normalization technique: Bidirectional Scaled Spectral Normalization (BSSN), which incorporates insights from later improvements to LeCun initialization: Xavier initialization and Kaiming initialization. Theoretically, we show that BSSN gives better gradient control than SN. Empirically, we demonstrate that it outperforms SN in sample quality and training stability on several benchmark datasets.

Large scale distributed optimization has become the default tool for the training of supervised machine learning models with a large number of parameters and training data. Recent advancements in the field provide several mechanisms for speeding up the training, including {\em compressed communication}, {\em variance reduction} and {\em acceleration}. However, none of these methods is capable of exploiting the inherently rich data-dependent smoothness structure of the local losses beyond standard smoothness constants. In this paper, we argue that when training supervised models, {\em smoothness matrices}---information-rich generalizations of the ubiquitous smoothness constants---can and should be exploited for further dramatic gains, both in theory and practice. In order to further alleviate the communication burden inherent in distributed optimization, we propose a novel communication sparsification strategy that can take full advantage of the smoothness matrices associated with local losses. To showcase the power of this tool, we describe how our sparsification technique can be adapted to three distributed optimization algorithms---DCGD, DIANA and ADIANA---yielding significant savings in terms of communication complexity. The new methods always outperform the baselines, often dramatically so.