NeurIPS 2021 论文列表

We address Stackelberg models of combinatorial congestion games (CCGs); we aim to optimize the parameters of CCGs so that the selfish behavior of non-atomic players attains desirable equilibria. This model is essential for designing such social infrastructures as traffic and communication networks. Nevertheless, computational approaches to the model have not been thoroughly studied due to two difficulties: (I) bilevel-programming structures and (II) the combinatorial nature of CCGs. We tackle them by carefully combining (I) the idea of \textit{differentiable} optimization and (II) data structures called \textit{zero-suppressed binary decision diagrams} (ZDDs), which can compactly represent sets of combinatorial strategies. Our algorithm numerically approximates the equilibria of CCGs, which we can differentiate with respect to parameters of CCGs by automatic differentiation. With the resulting derivatives, we can apply gradient-based methods to Stackelberg models of CCGs. Our method is tailored to induce Nesterov's acceleration and can fully utilize the empirical compactness of ZDDs. These technical advantages enable us to deal with CCGs with a vast number of combinatorial strategies. Experiments on real-world network design instances demonstrate the practicality of our method.

Imperative programming allows users to implement their deep neural networks (DNNs) easily and has become an essential part of recent deep learning (DL) frameworks. Recently, several systems have been proposed to combine the usability of imperative programming with the optimized performance of symbolic graph execution. Such systems convert imperative Python DL programs to optimized symbolic graphs and execute them. However, they cannot fully support the usability of imperative programming. For example, if an imperative DL program contains a Python feature with no corresponding symbolic representation (e.g., third-party library calls or unsupported dynamic control flows) they fail to execute the program. To overcome this limitation, we propose Terra, an imperative-symbolic co-execution system that can handle any imperative DL programs while achieving the optimized performance of symbolic graph execution. To achieve this, Terra builds a symbolic graph by decoupling DL operations from Python features. Then, Terra conducts the imperative execution to support all Python features, while delegating the decoupled operations to the symbolic execution. We evaluated Terra’s performance improvement and coverage with ten imperative DL programs for several DNN architectures. The results show that Terra can speed up the execution of all ten imperative DL programs, whereas AutoGraph, one of the state-of-the-art systems, fails to execute five of them.

Thompson sampling (TS) has attracted a lot of interest in the bandit area. It was introduced in the 1930s but has not been theoretically proven until recent years. All of its analysis in the combinatorial multi-armed bandit (CMAB) setting requires an exact oracle to provide optimal solutions with any input. However, such an oracle is usually not feasible since many combinatorial optimization problems are NP-hard and only approximation oracles are available. An example \cite{WangC18} has shown the failure of TS to learn with an approximation oracle. However, this oracle is uncommon and is designed only for a specific problem instance. It is still an open question whether the convergence analysis of TS can be extended beyond the exact oracle in CMAB. In this paper, we study this question under the greedy oracle, which is a common (approximation) oracle with theoretical guarantees to solve many (offline) combinatorial optimization problems. We provide a problem-dependent regret lower bound of order $\Omega(\log T/\Delta^2)$ to quantify the hardness of TS to solve CMAB problems with greedy oracle, where $T$ is the time horizon and $\Delta$ is some reward gap. We also provide an almost matching regret upper bound. These are the first theoretical results for TS to solve CMAB with a common approximation oracle and break the misconception that TS cannot work with approximation oracles.

In this paper, we propose a transformer-based procedure for the efficient registration of non-rigid 3D point clouds. The proposed approach is data-driven and adopts for the first time the transformers architecture in the registration task. Our method is general and applies to different settings. Given a fixed template with some desired properties (e.g. skinning weights or other animation cues), we can register raw acquired data to it, thereby transferring all the template properties to the input geometry. Alternatively, given a pair of shapes, our method can register the first onto the second (or vice-versa), obtaining a high-quality dense correspondence between the two. In both contexts, the quality of our results enables us to target real applications such as texture transfer and shape interpolation. Furthermore, we also show that including an estimation of the underlying density of the surface eases the learning process. By exploiting the potential of this architecture, we can train our model requiring only a sparse set of ground truth correspondences ($10\sim20\%$ of the total points). The proposed model and the analysis that we perform pave the way for future exploration of transformer-based architectures for registration and matching applications. Qualitative and quantitative evaluations demonstrate that our pipeline outperforms state-of-the-art methods for deformable and unordered 3D data registration on different datasets and scenarios.

The construction and theoretical analysis of the most popular universally consistent nonparametric density estimators hinge on one functional property: smoothness. In this paper we investigate the theoretical implications of incorporating a multi-view latent variable model, a type of low-rank model, into nonparametric density estimation. To do this we perform extensive analysis on histogram-style estimators that integrate a multi-view model. Our analysis culminates in showing that there exists a universally consistent histogram-style estimator that converges to any multi-view model with a finite number of Lipschitz continuous components at a rate of $\widetilde{O}(1/\sqrt[3]{n})$ in $L^1$ error. In contrast, the standard histogram estimator can converge at a rate slower than $1/\sqrt[d]{n}$ on the same class of densities. We also introduce a new nonparametric latent variable model based on the Tucker decomposition. A rudimentary implementation of our estimators experimentally demonstrates a considerable performance improvement over the standard histogram estimator. We also provide a thorough analysis of the sample complexity of our Tucker decomposition-based model and a variety of other results. Thus, our paper provides solid theoretical foundations for extending low-rank techniques to the nonparametric setting.

Domain adaptation (DA) aims to alleviate the domain shift between source domain and target domain. Most DA methods require access to the source data, but often that is not possible (e.g. due to data privacy or intellectual property). In this paper, we address the challenging source-free domain adaptation (SFDA) problem, where the source pretrained model is adapted to the target domain in the absence of source data. Our method is based on the observation that target data, which might no longer align with the source domain classifier, still forms clear clusters. We capture this intrinsic structure by defining local affinity of the target data, and encourage label consistency among data with high local affinity. We observe that higher affinity should be assigned to reciprocal neighbors, and propose a self regularization loss to decrease the negative impact of noisy neighbors. Furthermore, to aggregate information with more context, we consider expanded neighborhoods with small affinity values. In the experimental results we verify that the inherent structure of the target features is an important source of information for domain adaptation. We demonstrate that this local structure can be efficiently captured by considering the local neighbors, the reciprocal neighbors, and the expanded neighborhood. Finally, we achieve state-of-the-art performance on several 2D image and 3D point cloud recognition datasets. Code is available in https://github.com/Albert0147/SFDA_neighbors.

In this paper, we introduce DEBAGREEMENT, a dataset of 42,894 comment-reply pairs from the popular discussion website Reddit, annotated with agree, neutral or disagree labels. We collect data from five forums on Reddit: r/BlackLivesMatter, r/Brexit, r/climate, r/democrats, r/Republican. For each forum, we select comment pairs such that they form altogether a user interaction graph. DEBAGREEMENT presents a challenge for Natural Language Processing (NLP) systems, as it contains slang, sarcasm and topic-specific jokes, often present in online exchanges. We evaluate the performance of state-of-the-art language models on a (dis)agreement detection task, and investigate the use of contextual information available (graph, authorship, and temporal information). Since recent research has shown that context, such as social context or knowledge graph information, enables language models to better perform on downstream NLP tasks, DEBAGREEMENT provides novel opportunities for combining graph-based and text-based machine learning techniques to detect (dis)agreements online.

The generalization of representations learned via contrastive learning depends crucially on what features of the data are extracted. However, we observe that the contrastive loss does not always sufficiently guide which features are extracted, a behavior that can negatively impact the performance on downstream tasks via “shortcuts", i.e., by inadvertently suppressing important predictive features. We find that feature extraction is influenced by the difficulty of the so-called instance discrimination task (i.e., the task of discriminating pairs of similar points from pairs of dissimilar ones). Although harder pairs improve the representation of some features, the improvement comes at the cost of suppressing previously well represented features. In response, we propose implicit feature modification (IFM), a method for altering positive and negative samples in order to guide contrastive models towards capturing a wider variety of predictive features. Empirically, we observe that IFM reduces feature suppression, and as a result improves performance on vision and medical imaging tasks.

Much of the work in online learning focuses on the study of sublinear upper bounds on the regret. In this work, we initiate the study of best-case lower bounds in online convex optimization, wherein we bound the largest \emph{improvement} an algorithm can obtain relative to the single best action in hindsight. This problem is motivated by the goal of better understanding the adaptivity of a learning algorithm. Another motivation comes from fairness: it is known that best-case lower bounds are instrumental in obtaining algorithms for decision-theoretic online learning (DTOL) that satisfy a notion of group fairness. Our contributions are a general method to provide best-case lower bounds in Follow The Regularized Leader (FTRL) algorithms with time-varying regularizers, which we use to show that best-case lower bounds are of the same order as existing upper regret bounds: this includes situations with a fixed learning rate, decreasing learning rates, timeless methods, and adaptive gradient methods. In stark contrast, we show that the linearized version of FTRL can attain negative linear regret. Finally, in DTOL with two experts and binary losses, we fully characterize the best-case sequences, which provides a finer understanding of the best-case lower bounds.

There has been a recent surge of interest in designing Graph Neural Networks (GNNs) for semi-supervised learning tasks. Unfortunately this work has assumed that the nodes labeled for use in training were selected uniformly at random (i.e. are an IID sample). However in many real world scenarios gathering labels for graph nodes is both expensive and inherently biased -- so this assumption can not be met. GNNs can suffer poor generalization when this occurs, by overfitting to superfluous regularities present in the training data. In this work we present a method, Shift-Robust GNN (SR-GNN), designed to account for distributional differences between biased training data and the graph's true inference distribution. SR-GNN adapts GNN models for the presence of distributional shifts between the nodes which have had labels provided for training and the rest of the dataset. We illustrate the effectiveness of SR-GNN in a variety of experiments with biased training datasets on common GNN benchmark datasets for semi-supervised learning, where we see that SR-GNN outperforms other GNN baselines by accuracy, eliminating at least (~40%) of the negative effects introduced by biased training data. On the largest dataset we consider, ogb-arxiv, we observe an 2% absolute improvement over the baseline and reduce 30% of the negative effects.

Modeling the effect of sequence variation on function is a fundamental problem for understanding and designing proteins. Since evolution encodes information about function into patterns in protein sequences, unsupervised models of variant effects can be learned from sequence data. The approach to date has been to fit a model to a family of related sequences. The conventional setting is limited, since a new model must be trained for each prediction task. We show that using only zero-shot inference, without any supervision from experimental data or additional training, protein language models capture the functional effects of sequence variation, performing at state-of-the-art.

Current visual question answering (VQA) tasks mainly consider answering human-annotated questions for natural images. However, aside from natural images, abstract diagrams with semantic richness are still understudied in visual understanding and reasoning research. In this work, we introduce a new challenge of Icon Question Answering (IconQA) with the goal of answering a question in an icon image context. We release IconQA, a large-scale dataset that consists of 107,439 questions and three sub-tasks: multi-image-choice, multi-text-choice, and filling-in-the-blank. The IconQA dataset is inspired by real-world diagram word problems that highlight the importance of abstract diagram understanding and comprehensive cognitive reasoning. Thus, IconQA requires not only perception skills like object recognition and text understanding, but also diverse cognitive reasoning skills, such as geometric reasoning, commonsense reasoning, and arithmetic reasoning. To facilitate potential IconQA models to learn semantic representations for icon images, we further release an icon dataset Icon645 which contains 645,687 colored icons on 377 classes. We conduct extensive user studies and blind experiments and reproduce a wide range of advanced VQA methods to benchmark the IconQA task. Also, we develop a strong IconQA baseline Patch-TRM that applies a pyramid cross-modal Transformer with input diagram embeddings pre-trained on the icon dataset. IconQA and Icon645 are available at https://iconqa.github.io.

Graph Neural Networks (GNNs) are limited in their expressive power, struggle with long-range interactions and lack a principled way to model higher-order structures. These problems can be attributed to the strong coupling between the computational graph and the input graph structure. The recently proposed Message Passing Simplicial Networks naturally decouple these elements by performing message passing on the clique complex of the graph. Nevertheless, these models can be severely constrained by the rigid combinatorial structure of Simplicial Complexes (SCs). In this work, we extend recent theoretical results on SCs to regular Cell Complexes, topological objects that flexibly subsume SCs and graphs. We show that this generalisation provides a powerful set of graph "lifting" transformations, each leading to a unique hierarchical message passing procedure. The resulting methods, which we collectively call CW Networks (CWNs), are strictly more powerful than the WL test and not less powerful than the 3-WL test. In particular, we demonstrate the effectiveness of one such scheme, based on rings, when applied to molecular graph problems. The proposed architecture benefits from provably larger expressivity than commonly used GNNs, principled modelling of higher-order signals and from compressing the distances between nodes. We demonstrate that our model achieves state-of-the-art results on a variety of molecular datasets.

Recent advances in remote sensing products allow near-real time monitoring of the Earth’s surface. Despite increasing availability of near-daily time-series of satellite imagery, there has been little exploration of deep learning methods to utilize the unprecedented temporal density of observations. This is particularly interesting in crop monitoring where time-series remote sensing data has been used frequently to exploit phenological differences of crops in the growing cycle over time. In this work, we present DENETHOR: The DynamicEarthNET dataset for Harmonized, inter-Operabel, analysis-Ready, daily crop monitoring from space. Our dataset contains daily, analysis-ready Planet Fusion data together with Sentinel-1 radar and Sentinel-2 optical time-series for crop type classification in Northern Germany. Our baseline experiments underline that incorporating the available spatial and temporal information fully may not be straightforward and could require the design of tailored architectures. The dataset presents two main challenges to the community: Exploit the temporal dimension for improved crop classification and ensure that models can handle a domain shift to a different year.

We propose a simple architecture for deep reinforcement learning by embedding inputs into a learned Fourier basis and show that it improves the sample efficiency of both state-based and image-based RL. We perform infinite-width analysis of our architecture using the Neural Tangent Kernel and theoretically show that tuning the initial variance of the Fourier basis is equivalent to functional regularization of the learned deep network. That is, these learned Fourier features allow for adjusting the degree to which networks underfit or overfit different frequencies in the training data, and hence provide a controlled mechanism to improve the stability and performance of RL optimization. Empirically, this allows us to prioritize learning low-frequency functions and speed up learning by reducing networks' susceptibility to noise in the optimization process, such as during Bellman updates. Experiments on standard state-based and image-based RL benchmarks show clear benefits of our architecture over the baselines.

Deep learning has exhibited superior performance for various tasks, especially for high-dimensional datasets, such as images. To understand this property, we investigate the approximation and estimation ability of deep learning on {\it anisotropic Besov spaces}. The anisotropic Besov space is characterized by direction-dependent smoothness and includes several function classes that have been investigated thus far. We demonstrate that the approximation error and estimation error of deep learning only depend on the average value of the smoothness parameters in all directions. Consequently, the curse of dimensionality can be avoided if the smoothness of the target function is highly anisotropic. Unlike existing studies, our analysis does not require a low-dimensional structure of the input data. We also investigate the minimax optimality of deep learning and compare its performance with that of the kernel method (more generally, linear estimators). The results show that deep learning has better dependence on the input dimensionality if the target function possesses anisotropic smoothness, and it achieves an adaptive rate for functions with spatially inhomogeneous smoothness.

We consider the problem of generating rankings that are fair towards both users and item producers in recommender systems. We address both usual recommendation (e.g., of music or movies) and reciprocal recommendation (e.g., dating). Following concepts of distributive justice in welfare economics, our notion of fairness aims at increasing the utility of the worse-off individuals, which we formalize using the criterion of Lorenz efficiency. It guarantees that rankings are Pareto efficient, and that they maximally redistribute utility from better-off to worse-off, at a given level of overall utility. We propose to generate rankings by maximizing concave welfare functions, and develop an efficient inference procedure based on the Frank-Wolfe algorithm. We prove that unlike existing approaches based on fairness constraints, our approach always produces fair rankings. Our experiments also show that it increases the utility of the worse-off at lower costs in terms of overall utility.

In content-based image retrieval, the first-round retrieval result by simple visual feature comparison may be unsatisfactory, which can be refined by visual re-ranking techniques. In image retrieval, it is observed that the contextual similarity among the top-ranked images is an important clue to distinguish the semantic relevance. Inspired by this observation, in this paper, we propose a visual re-ranking method by contextual similarity aggregation with self-attention. In our approach, for each image in the top-K ranking list, we represent it into an affinity feature vector by comparing it with a set of anchor images. Then, the affinity features of the top-K images are refined by aggregating the contextual information with a transformer encoder. Finally, the affinity features are used to recalculate the similarity scores between the query and the top-K images for re-ranking of the latter. To further improve the robustness of our re-ranking model and enhance the performance of our method, a new data augmentation scheme is designed. Since our re-ranking model is not directly involved with the visual feature used in the initial retrieval, it is ready to be applied to retrieval result lists obtained from various retrieval algorithms. We conduct comprehensive experiments on four benchmark datasets to demonstrate the generality and effectiveness of our proposed visual re-ranking method.

The Bayes error rate (BER) is a fundamental concept in machine learning that quantifies the best possible accuracy any classifier can achieve on a fixed probability distribution. Despite years of research on building estimators of lower and upper bounds for the BER, these were usually compared only on synthetic datasets with known probability distributions, leaving two key questions unanswered: (1) How well do they perform on realistic, non-synthetic datasets?, and (2) How practical are they? Answering these is not trivial. Apart from the obvious challenge of an unknown BER for real-world datasets, there are two main aspects any BER estimator needs to overcome in order to be applicable in real-world settings: (1) the computational and sample complexity, and (2) the sensitivity and selection of hyper-parameters. In this work, we propose FeeBee, the first principled framework for analyzing and comparing BER estimators on modern real-world datasets with unknown probability distribution. We achieve this by injecting a controlled amount of label noise and performing multiple evaluations on a series of different noise levels, supported by a theoretical result which allows drawing conclusions about the evolution of the BER. By implementing and analyzing 7 multi-class BER estimators on 6 commonly used datasets of the computer vision and NLP domains, FeeBee allows a thorough study of these estimators, clearly identifying strengths and weaknesses of each, whilst being easily deployable on any future BER estimator.