NeurIPS 2021 论文列表

We study adapting trained object detectors to unseen domains manifesting significant variations of object appearance, viewpoints and backgrounds. Most current methods align domains by either using image or instance-level feature alignment in an adversarial fashion. This often suffers due to the presence of unwanted background and as such lacks class-specific alignment. A common remedy to promote class-level alignment is to use high confidence predictions on the unlabelled domain as pseudo labels. These high confidence predictions are often fallacious since the model is poorly calibrated under domain shift. In this paper, we propose to leverage model’s predictive uncertainty to strike the right balance between adversarial feature alignment and class-level alignment. Specifically, we measure predictive uncertainty on class assignments and the bounding box predictions. Model predictions with low uncertainty are used to generate pseudo-labels for self-supervision, whereas the ones with higher uncertainty are used to generate tiles for an adversarial feature alignment stage. This synergy between tiling around the uncertain object regions and generating pseudo-labels from highly certain object regions allows us to capture both the image and instance level context during the model adaptation stage. We perform extensive experiments covering various domain shift scenarios. Our approach improves upon existing state-of-the-art methods with visible margins.

Optimization in the latent space of variational autoencoders is a promising approach to generate high-dimensional discrete objects that maximize an expensive black-box property (e.g., drug-likeness in molecular generation, function approximation with arithmetic expressions). However, existing methods lack robustness as they may decide to explore areas of the latent space for which no data was available during training and where the decoder can be unreliable, leading to the generation of unrealistic or invalid objects. We propose to leverage the epistemic uncertainty of the decoder to guide the optimization process. This is not trivial though, as a naive estimation of uncertainty in the high-dimensional and structured settings we consider would result in high estimator variance. To solve this problem, we introduce an importance sampling-based estimator that provides more robust estimates of epistemic uncertainty. Our uncertainty-guided optimization approach does not require modifications of the model architecture nor the training process. It produces samples with a better trade-off between black-box objective and validity of the generated samples, sometimes improving both simultaneously. We illustrate these advantages across several experimental settings in digit generation, arithmetic expression approximation and molecule generation for drug design.

Large language models have recently shown a remarkable ability for few-shot learning, including patterns of algorithmic nature. However, it is still an open question to determine what kind of patterns these models can capture and how many examples they need in their prompts. We frame this question as a teaching problem with strong priors, and study whether language models can identify simple algorithmic concepts from small witness sets. In particular, we explore how several GPT architectures, program induction systems and humans perform in terms of the complexity of the concept and the number of additional examples, and how much their behaviour differs. This first joint analysis of language models and machine teaching can address key questions for artificial intelligence and machine learning, such as whether some strong priors, and Occam’s razor in particular, can be distilled from data, making learning from a few examples possible.

Greedy algorithms have long been a workhorse for learning graphical models, and more broadly for learning statistical models with sparse structure. In the context of learning directed acyclic graphs, greedy algorithms are popular despite their worst-case exponential runtime. In practice, however, they are very efficient. We provide new insight into this phenomenon by studying a general greedy score-based algorithm for learning DAGs. Unlike edge-greedy algorithms such as the popular GES and hill-climbing algorithms, our approach is vertex-greedy and requires at most a polynomial number of score evaluations. We then show how recent polynomial-time algorithms for learning DAG models are a special case of this algorithm, thereby illustrating how these order-based algorithms can be rigourously interpreted as score-based algorithms. This observation suggests new score functions and optimality conditions based on the duality between Bregman divergences and exponential families, which we explore in detail. Explicit sample and computational complexity bounds are derived. Finally, we provide extensive experiments suggesting that this algorithm indeed optimizes the score in a variety of settings.

Self-Supervised Learning (SSL) has been shown to learn useful and information-preserving representations. Neural Networks (NNs) are widely applied, yet their weight space is still not fully understood. Therefore, we propose to use SSL to learn hyper-representations of the weights of populations of NNs. To that end, we introduce domain specific data augmentations and an adapted attention architecture. Our empirical evaluation demonstrates that self-supervised representation learning in this domain is able to recover diverse NN model characteristics. Further, we show that the proposed learned representations outperform prior work for predicting hyper-parameters, test accuracy, and generalization gap as well as transfer to out-of-distribution settings.

Normalizing flows (NF) are expressive as well as tractable density estimation methods whenever the support of the density is diffeomorphic to the entire data-space. However, real-world data sets typically live on (or very close to) low-dimensional manifolds thereby challenging the applicability of standard NF on real-world problems. Here we propose a novel method - called Denoising Normalizing Flow (DNF) - that estimates the density on the low-dimensional manifold while learning the manifold as well. The DNF works in 3 steps. First, it inflates the manifold - making it diffeomorphic to the entire data-space. Secondly, it learns an NF on the inflated manifold and finally it learns a denoising mapping - similarly to denoising autoencoders. The DNF relies on a single cost function and does not require to alternate between a density estimation phase and a manifold learning phase - as it is the case with other recent methods. Furthermore, we show that the DNF can learn meaningful low-dimensional representations from naturalistic images as well as generate high-quality samples.

We investigate how fairness relaxations scale to flexible classifiers like deep neural networks for images and text. We analyze an easy-to-use and robust way of imposing fairness constraints when training, and through this framework prove that some prior fairness surrogates exhibit degeneracies for non-convex models. We resolve these problems via three new surrogates: an adaptive data re-weighting, and two smooth upper-bounds that are provably more robust than some previous methods. Our surrogates perform comparably to the state-of-the-art on low-dimensional fairness benchmarks, while achieving superior accuracy and stability for more complex computer vision and natural language processing tasks.

This paper develops a conformal method to compute prediction intervals for non-parametric regression that can automatically adapt to skewed data. Leveraging black-box machine learning algorithms to estimate the conditional distribution of the outcome using histograms, it translates their output into the shortest prediction intervals with approximate conditional coverage. The resulting prediction intervals provably have marginal coverage in finite samples, while asymptotically achieving conditional coverage and optimal length if the black-box model is consistent. Numerical experiments with simulated and real data demonstrate improved performance compared to state-of-the-art alternatives, including conformalized quantile regression and other distributional conformal prediction approaches.

Neural agents trained in reinforcement learning settings can learn to communicate among themselves via discrete tokens, accomplishing as a team what agents would be unable to do alone. However, the current standard of using one-hot vectors as discrete communication tokens prevents agents from acquiring more desirable aspects of communication such as zero-shot understanding. Inspired by word embedding techniques from natural language processing, we propose neural agent architectures that enables them to communicate via discrete tokens derived from a learned, continuous space. We show in a decision theoretic framework that our technique optimizes communication over a wide range of scenarios, whereas one-hot tokens are only optimal under restrictive assumptions. In self-play experiments, we validate that our trained agents learn to cluster tokens in semantically-meaningful ways, allowing them communicate in noisy environments where other techniques fail. Lastly, we demonstrate both that agents using our method can effectively respond to novel human communication and that humans can understand unlabeled emergent agent communication, outperforming the use of one-hot communication.

Conducting efficient performance estimations of neural architectures is a major challenge in neural architecture search (NAS). To reduce the architecture training costs in NAS, one-shot estimators (OSEs) amortize the architecture training costs by sharing the parameters of one supernet between all architectures. Recently, zero-shot estimators (ZSEs) that involve no training are proposed to further reduce the architecture evaluation cost. Despite the high efficiency of these estimators, the quality of such estimations has not been thoroughly studied. In this paper, we conduct an extensive and organized assessment of OSEs and ZSEs on five NAS benchmarks: NAS-Bench-101/201/301, and NDS ResNet/ResNeXt-A. Specifically, we employ a set of NAS-oriented criteria to study the behavior of OSEs and ZSEs, and reveal their biases and variances. After analyzing how and why the OSE estimations are unsatisfying, we explore how to mitigate the correlation gap of OSEs from three perspectives. Through our analysis, we give out suggestions for future application and development of efficient architecture performance estimators. Furthermore, the analysis framework proposed in our work could be utilized in future research to give a more comprehensive understanding of newly designed architecture performance estimators. The code is available at https://github.com/walkerning/aw_nas.

Self-supervised Learning (SSL) including the mainstream contrastive learning has achieved great success in learning visual representations without data annotations. However, most of methods mainly focus on the instance level information (\ie, the different augmented images of the same instance should have the same feature or cluster into the same class), but there is a lack of attention on the relationships between different instances. In this paper, we introduced a novel SSL paradigm, which we term as relational self-supervised learning (ReSSL) framework that learns representations by modeling the relationship between different instances. Specifically, our proposed method employs sharpened distribution of pairwise similarities among different instances as \textit{relation} metric, which is thus utilized to match the feature embeddings of different augmentations. Moreover, to boost the performance, we argue that weak augmentations matter to represent a more reliable relation, and leverage momentum strategy for practical efficiency. Experimental results show that our proposed ReSSL significantly outperforms the previous state-of-the-art algorithms in terms of both performance and training efficiency.

Neural network compression techniques have become increasingly popular as they can drastically reduce the storage and computation requirements for very large networks. Recent empirical studies have illustrated that even simple pruning strategies can be surprisingly effective, and several theoretical studies have shown that compressible networks (in specific senses) should achieve a low generalization error. Yet, a theoretical characterization of the underlying causes that make the networks amenable to such simple compression schemes is still missing. In this study, focusing our attention on stochastic gradient descent (SGD), our main contribution is to link compressibility to two recently established properties of SGD: (i) as the network size goes to infinity, the system can converge to a mean-field limit, where the network weights behave independently [DBDFŞ20], (ii) for a large step-size/batch-size ratio, the SGD iterates can converge to a heavy-tailed stationary distribution [HM20, GŞZ21]. Assuming that both of these phenomena occur simultaneously, we prove that the networks are guaranteed to be '$\ell_p$-compressible', and the compression errors of different pruning techniques (magnitude, singular value, or node pruning) become arbitrarily small as the network size increases. We further prove generalization bounds adapted to our theoretical framework, which are consistent with the observation that the generalization error will be lower for more compressible networks. Our theory and numerical study on various neural networks show that large step-size/batch-size ratios introduce heavy tails, which, in combination with overparametrization, result in compressibility.

Learning auxiliary tasks, such as multiple predictions about the world, can provide many benefits to reinforcement learning systems. A variety of off-policy learning algorithms have been developed to learn such predictions, but as yet there is little work on how to adapt the behavior to gather useful data for those off-policy predictions. In this work, we investigate a reinforcement learning system designed to learn a collection of auxiliary tasks, with a behavior policy learning to take actions to improve those auxiliary predictions. We highlight the inherent non-stationarity in this continual auxiliary task learning problem, for both prediction learners and the behavior learner. We develop an algorithm based on successor features that facilitates tracking under non-stationary rewards, and prove the separation into learning successor features and rewards provides convergence rate improvements. We conduct an in-depth study into the resulting multi-prediction learning system.

Gathering training data is a key step of any supervised learning task, and it is both critical and expensive. Critical, because the quantity and quality of the training data has a high impact on the performance of the learned function. Expensive, because most practical cases rely on humans-in-the-loop to label the data. The process of determining the correct labels is much more expensive than comparing two items to see whether they belong to the same class. Thus motivated, we propose a setting for training data gathering where the human experts perform the comparatively cheap task of answering pairwise queries, and the computer groups the items into classes (which can be labeled cheaply at the very end of the process). Given the items, we consider two random models for the classes: one where the set partition they form is drawn uniformly, the other one where each item chooses its class independently following a fixed distribution. In the first model, we characterize the algorithms that minimize the average number of queries required to cluster the items and analyze their complexity. In the second model, we analyze a specific algorithm family, propose as a conjecture that they reach the minimum average number of queries and compare their performance to a random approach. We also propose solutions to handle errors or inconsistencies in the experts' answers.

Actor-critic methods are widely used in offline reinforcement learning practice, but are not so well-understood theoretically. We propose a new offline actor-critic algorithm that naturally incorporates the pessimism principle, leading to several key advantages compared to the state of the art. The algorithm can operate when the Bellman evaluation operator is closed with respect to the action value function of the actor's policies; this is a more general setting than the low-rank MDP model. Despite the added generality, the procedure is computationally tractable as it involves the solution of a sequence of second-order programs. We prove an upper bound on the suboptimality gap of the policy returned by the procedure that depends on the data coverage of any arbitrary, possibly data dependent comparator policy. The achievable guarantee is complemented with a minimax lower bound that is matching up to logarithmic factors.

We consider the problem of learning the causal MAG of a system from observational data in the presence of latent variables and selection bias. Constraint-based methods are one of the main approaches for solving this problem, but the existing methods are either computationally impractical when dealing with large graphs or lacking completeness guarantees. We propose a novel computationally efficient recursive constraint-based method that is sound and complete. The key idea of our approach is that at each iteration a specific type of variable is identified and removed. This allows us to learn the structure efficiently and recursively, as this technique reduces both the number of required conditional independence (CI) tests and the size of the conditioning sets. The former substantially reduces the computational complexity, while the latter results in more reliable CI tests. We provide an upper bound on the number of required CI tests in the worst case. To the best of our knowledge, this is the tightest bound in the literature. We further provide a lower bound on the number of CI tests required by any constraint-based method. The upper bound of our proposed approach and the lower bound at most differ by a factor equal to the number of variables in the worst case. We provide experimental results to compare the proposed approach with the state of the art on both synthetic and real-world structures.

Filter pruning has been widely used for neural network compression because of its enabled practical acceleration. To date, most of the existing filter pruning works explore the importance of filters via using intra-channel information. In this paper, starting from an inter-channel perspective, we propose to perform efficient filter pruning using Channel Independence, a metric that measures the correlations among different feature maps. The less independent feature map is interpreted as containing less useful information$/$knowledge, and hence its corresponding filter can be pruned without affecting model capacity. We systematically investigate the quantification metric, measuring scheme and sensitiveness$/$reliability of channel independence in the context of filter pruning. Our evaluation results for different models on various datasets show the superior performance of our approach. Notably, on CIFAR-10 dataset our solution can bring $0.75\%$ and $0.94\%$ accuracy increase over baseline ResNet-56 and ResNet-110 models, respectively, and meanwhile the model size and FLOPs are reduced by $42.8\%$ and $47.4\%$ (for ResNet-56) and $48.3\%$ and $52.1\%$ (for ResNet-110), respectively. On ImageNet dataset, our approach can achieve $40.8\%$ and $44.8\%$ storage and computation reductions, respectively, with $0.15\%$ accuracy increase over the baseline ResNet-50 model. The code is available at https://github.com/Eclipsess/CHIP_NeurIPS2021.

Many recent AI architectures are inspired by zero-sum games, however, the behavior of their dynamics is still not well understood. Inspired by this, we study standard gradient descent ascent (GDA) dynamics in a specific class of non-convex non-concave zero-sum games, that we call hidden zero-sum games. In this class, players control the inputs of smooth but possibly non-linear functions whose outputs are being applied as inputs to a convex-concave game. Unlike general zero-sum games, these games have a well-defined notion of solution; outcomes that implement the von-Neumann equilibrium of the ``hidden" convex-concave game. We provide conditions under which vanilla GDA provably converges not merely to local Nash, but the actual von-Neumann solution. If the hidden game lacks strict convexity properties, GDA may fail to converge to any equilibrium, however, by applying standard regularization techniques we can prove convergence to a von-Neumann solution of a slightly perturbed zero-sum game. Our convergence results are non-local despite working in the setting of non-convex non-concave games. Critically, under proper assumptions we combine the Center-Stable Manifold Theorem along with novel type of initialization dependent Lyapunov functions to prove that almost all initial conditions converge to the solution. Finally, we discuss diverse applications of our framework ranging from generative adversarial networks to evolutionary biology.

Reasoning in the real world is not divorced from situations. How to capture the present knowledge from surrounding situations and perform reasoning accordingly is crucial and challenging for machine intelligence. This paper introduces a new benchmark that evaluates the situated reasoning ability via situation abstraction and logic-grounded question answering for real-world videos, called Situated Reasoning in Real-World Videos (STAR). This benchmark is built upon the real-world videos associated with human actions or interactions, which are naturally dynamic, compositional, and logical. The dataset includes four types of questions, including interaction, sequence, prediction, and feasibility. We represent the situations in real-world videos by hyper-graphs connecting extracted atomic entities and relations (e.g., actions, persons, objects, and relationships). Besides visual perception, situated reasoning also requires structured situation comprehension and logical reasoning. Questions and answers are procedurally generated. The answering logic of each question is represented by a functional program based on a situation hyper-graph. We compare various existing video reasoning models and find that they all struggle on this challenging situated reasoning task. We further propose a diagnostic neuro-symbolic model that can disentangle visual perception, situation abstraction, language understanding, and functional reasoning to understand the challenges of this benchmark.