NeurIPS 2021 Papers

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

Generative adversarial networks (GANs) typically require ample data for training in order to synthesize high-fidelity images. Recent studies have shown that training GANs with limited data remains formidable due to discriminator overfitting, the underlying cause that impedes the generator's convergence. This paper introduces a novel strategy called Adaptive Pseudo Augmentation (APA) to encourage healthy competition between the generator and the discriminator. As an alternative method to existing approaches that rely on standard data augmentations or model regularization, APA alleviates overfitting by employing the generator itself to augment the real data distribution with generated images, which deceives the discriminator adaptively. Extensive experiments demonstrate the effectiveness of APA in improving synthesis quality in the low-data regime. We provide a theoretical analysis to examine the convergence and rationality of our new training strategy. APA is simple and effective. It can be added seamlessly to powerful contemporary GANs, such as StyleGAN2, with negligible computational cost. Code: https://github.com/EndlessSora/DeceiveD.

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

In the problems of image retrieval and few-shot classification, the mainstream approaches focus on learning a better feature representation. However, directly tackling the distance or similarity measure between images could also be efficient. To this end, we revisit the idea of re-ranking the top-k retrieved images in the context of image retrieval (e.g., the k-reciprocal nearest neighbors) and generalize this idea to transductive few-shot learning. We propose to meta-learn the re-ranking updates such that the similarity graph converges towards the target similarity graph induced by the image labels. Specifically, the re-ranking module takes as input an initial similarity graph between the query image and the contextual images using a pre-trained feature extractor, and predicts an improved similarity graph by leveraging the structure among the involved images. We show that our re-ranking approach can be applied to unseen images and can further boost existing approaches for both image retrieval and few-shot learning problems. Our approach operates either independently or in conjunction with classical re-ranking approaches, yielding clear and consistent improvements on image retrieval (CUB, Cars, SOP, rOxford5K and rParis6K) and transductive few-shot classification (Mini-ImageNet, tiered-ImageNet and CIFAR-FS) benchmarks. Our code is available at https://imagine.enpc.fr/~shenx/SSR/.

In this paper, we revisit the problem of smoothed online learning, in which the online learner suffers both a hitting cost and a switching cost, and target two performance metrics: competitive ratio and dynamic regret with switching cost. To bound the competitive ratio, we assume the hitting cost is known to the learner in each round, and investigate the simple idea of balancing the two costs by an optimization problem. Surprisingly, we find that minimizing the hitting cost alone is $\max(1, \frac{2}{\alpha})$-competitive for $\alpha$-polyhedral functions and $1 + \frac{4}{\lambda}$-competitive for $\lambda$-quadratic growth functions, both of which improve state-of-the-art results significantly. Moreover, when the hitting cost is both convex and $\lambda$-quadratic growth, we reduce the competitive ratio to $1 + \frac{2}{\sqrt{\lambda}}$ by minimizing the weighted sum of the hitting cost and the switching cost. To bound the dynamic regret with switching cost, we follow the standard setting of online convex optimization, in which the hitting cost is convex but hidden from the learner before making predictions. We modify Ader, an existing algorithm designed for dynamic regret, slightly to take into account the switching cost when measuring the performance. The proposed algorithm, named as Smoothed Ader, attains an optimal $O(\sqrt{T(1+P_T)})$ bound for dynamic regret with switching cost, where $P_T$ is the path-length of the comparator sequence. Furthermore, if the hitting cost is accessible in the beginning of each round, we obtain a similar guarantee without the bounded gradient condition, and establish an $\Omega(\sqrt{T(1+P_T)})$ lower bound to confirm the optimality.

The fuzzy or soft $k$-means objective is a popular generalization of the well-known $k$-means problem, extending the clustering capability of the $k$-means to datasets that are uncertain, vague and otherwise hard to cluster. In this paper, we propose a semi-supervised active clustering framework, where the learner is allowed to interact with an oracle (domain expert), asking for the similarity between a certain set of chosen items. We study the query and computational complexities of clustering in this framework. We prove that having a few of such similarity queries enables one to get a polynomial-time approximation algorithm to an otherwise conjecturally NP-hard problem. In particular, we provide algorithms for fuzzy clustering in this setting that ask $O(\mathsf{poly}(k)\log n)$ similarity queries and run with polynomial-time-complexity, where $n$ is the number of items. The fuzzy $k$-means objective is nonconvex, with $k$-means as a special case, and is equivalent to some other generic nonconvex problem such as non-negative matrix factorization. The ubiquitous Lloyd-type algorithms (or alternating-minimization algorithms) can get stuck at a local minima. Our results show that by making few similarity queries, the problem becomes easier to solve. Finally, we test our algorithms over real-world datasets, showing their effectiveness in real-world applications.

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

Progress in deep reinforcement learning (RL) is heavily driven by the availability of challenging benchmarks used for training agents. However, benchmarks that are widely adopted by the community are not explicitly designed for evaluating specific capabilities of RL methods. While there exist environments for assessing particular open problems in RL (such as exploration, transfer learning, unsupervised environment design, or even language-assisted RL), it is generally difficult to extend these to richer, more complex environments once research goes beyond proof-of-concept results. We present MiniHack, a powerful sandbox framework for easily designing novel RL environments. MiniHack is a one-stop shop for RL experiments with environments ranging from small rooms to complex, procedurally generated worlds. By leveraging the full set of entities and environment dynamics from NetHack, one of the richest grid-based video games, MiniHack allows designing custom RL testbeds that are fast and convenient to use. With this sandbox framework, novel environments can be designed easily, either using a human-readable description language or a simple Python interface. In addition to a variety of RL tasks and baselines, MiniHack can wrap existing RL benchmarks and provide ways to seamlessly add additional complexity.

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

In this paper we consider Thompson Sampling for combinatorial semi-bandits. We demonstrate that, perhaps surprisingly, Thompson Sampling is sub-optimal for this problem in the sense that its regret scales exponentially in the ambient dimension, and its minimax regret scales almost linearly. This phenomenon occurs under a wide variety of assumptions including both non-linear and linear reward functions in the Bernoulli distribution setting. We also show that including a fixed amount of forced exploration to Thompson Sampling does not alleviate the problem. We complement our theoretical results with numerical results and show that in practice Thompson Sampling indeed can perform very poorly in some high dimension situations.

Riemannian space forms, such as the Euclidean space, sphere and hyperbolic space, are popular and powerful representation spaces in machine learning. For instance, hyperbolic geometry is appropriate to represent graphs without cycles and has been used to extend Graph Neural Networks. Recently, some pseudo-Riemannian space forms that generalize both hyperbolic and spherical geometries have been exploited to learn a specific type of nonparametric embedding called ultrahyperbolic. The lack of geodesic between every pair of ultrahyperbolic points makes the task of learning parametric models (e.g., neural networks) difficult. This paper introduces a method to learn parametric models in ultrahyperbolic space. We experimentally show the relevance of our approach in the tasks of graph and node classification.

We study Bayesian automated mechanism design in unstructured dynamic environments, where a principal repeatedly interacts with an agent, and takes actions based on the strategic agent's report of the current state of the world. Both the principal and the agent can have arbitrary and potentially different valuations for the actions taken, possibly also depending on the actual state of the world. Moreover, at any time, the state of the world may evolve arbitrarily depending on the action taken by the principal. The goal is to compute an optimal mechanism which maximizes the principal's utility in the face of the self-interested strategic agent. We give an efficient algorithm for computing optimal mechanisms, with or without payments, under different individual-rationality constraints, when the time horizon is constant. Our algorithm is based on a sophisticated linear program formulation, which can be customized in various ways to accommodate richer constraints. For environments with large time horizons, we show that the principal's optimal utility is hard to approximate within a certain constant factor, complementing our algorithmic result. These results paint a relatively complete picture for automated dynamic mechanism design in unstructured environments. We further consider a special case of the problem where the agent is myopic, and give a refined efficient algorithm whose time complexity scales linearly in the time horizon. In the full version of the paper, we show that memoryless mechanisms, which are without loss of generality optimal in Markov decision processes without strategic behavior, do not provide a good solution for our problem, in terms of both optimality and computational tractability. Moreover, we present experimental results where our algorithms are applied to synthetic dynamic environments with different characteristics, which not only serve as a proof of concept for our algorithms, but also exhibit intriguing phenomena in dynamic mechanism design.

We present a generalization of Transformers to any-order permutation invariant data (sets, graphs, and hypergraphs). We begin by observing that Transformers generalize DeepSets, or first-order (set-input) permutation invariant MLPs. Then, based on recently characterized higher-order invariant MLPs, we extend the concept of self-attention to higher orders and propose higher-order Transformers for order-$k$ data ($k=2$ for graphs and $k>2$ for hypergraphs). Unfortunately, higher-order Transformers turn out to have prohibitive complexity $\mathcal{O}(n^{2k})$ to the number of input nodes $n$. To address this problem, we present sparse higher-order Transformers that have quadratic complexity to the number of input hyperedges, and further adopt the kernel attention approach to reduce the complexity to linear. In particular, we show that the sparse second-order Transformers with kernel attention are theoretically more expressive than message passing operations while having an asymptotically identical complexity. Our models achieve significant performance improvement over invariant MLPs and message-passing graph neural networks in large-scale graph regression and set-to-(hyper)graph prediction tasks. Our implementation is available at https://github.com/jw9730/hot.

Recent years have witnessed an increasing use of coordinated accounts on social media, operated by misinformation campaigns to influence public opinion and manipulate social outcomes. Consequently, there is an urgent need to develop an effective methodology for coordinated group detection to combat the misinformation on social media. However, existing works suffer from various drawbacks, such as, either limited performance due to extreme reliance on predefined signatures of coordination, or instead an inability to address the natural sparsity of account activities on social media with useful prior domain knowledge. Therefore, in this paper, we propose a coordination detection framework incorporating neural temporal point process with prior knowledge such as temporal logic or pre-defined filtering functions. Specifically, when modeling the observed data from social media with neural temporal point process, we jointly learn a Gibbs-like distribution of group assignment based on how consistent an assignment is to (1) the account embedding space and (2) the prior knowledge. To address the challenge that the distribution is hard to be efficiently computed and sampled from, we design a theoretically guaranteed variational inference approach to learn a mean-field approximation for it. Experimental results on a real-world dataset show the effectiveness of our proposed method compared to the SOTA model in both unsupervised and semi-supervised settings. We further apply our model on a COVID-19 Vaccine Tweets dataset. The detection result suggests the presence of suspicious coordinated efforts on spreading misinformation about COVID-19 vaccines.

Generating fluent and relevant language to describe visual content is critical for the video captioning task. Many existing methods generate captions using sequence models that predict words in a left-to-right order. In this paper, we investigate a graph-structured model for caption generation by explicitly modeling the hierarchical structure in the sentences to further improve the fluency and relevance of sentences. To this end, we propose a novel video captioning method that generates a sentence by first constructing a multi-modal dependency tree and then traversing the constructed tree, where the syntactic structure and semantic relationship in the sentence are represented by the tree topology. To take full advantage of the information from both vision and language, both the visual and textual representation features are encoded into each tree node. Different from existing dependency parsing methods that generate uni-modal dependency trees for language understanding, our method construct s multi-modal dependency trees for language generation of images and videos. We also propose a tree-structured reinforcement learning algorithm to effectively optimize the captioning model where a novel reward is designed by evaluating the semantic consistency between the generated sub-tree and the ground-truth tree. Extensive experiments on several video captioning datasets demonstrate the effectiveness of the proposed method.

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

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

KL-regularized reinforcement learning from expert demonstrations has proved successful in improving the sample efficiency of deep reinforcement learning algorithms, allowing them to be applied to challenging physical real-world tasks. However, we show that KL-regularized reinforcement learning with behavioral reference policies derived from expert demonstrations can suffer from pathological training dynamics that can lead to slow, unstable, and suboptimal online learning. We show empirically that the pathology occurs for commonly chosen behavioral policy classes and demonstrate its impact on sample efficiency and online policy performance. Finally, we show that the pathology can be remedied by non-parametric behavioral reference policies and that this allows KL-regularized reinforcement learning to significantly outperform state-of-the-art approaches on a variety of challenging locomotion and dexterous hand manipulation tasks.

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