NeurIPS 2021 Papers

In real-world decision making tasks, it is critical for data-driven reinforcement learning methods to be both stable and sample efficient. On-policy methods typically generate reliable policy improvement throughout training, while off-policy methods make more efficient use of data through sample reuse. In this work, we combine the theoretically supported stability benefits of on-policy algorithms with the sample efficiency of off-policy algorithms. We develop policy improvement guarantees that are suitable for the off-policy setting, and connect these bounds to the clipping mechanism used in Proximal Policy Optimization. This motivates an off-policy version of the popular algorithm that we call Generalized Proximal Policy Optimization with Sample Reuse. We demonstrate both theoretically and empirically that our algorithm delivers improved performance by effectively balancing the competing goals of stability and sample efficiency.

The audio-visual video parsing task aims to temporally parse a video into audio or visual event categories. However, it is labor intensive to temporally annotate audio and visual events and thus hampers the learning of a parsing model. To this end, we propose to explore additional cross-video and cross-modality supervisory signals to facilitate weakly-supervised audio-visual video parsing. The proposed method exploits both the common and diverse event semantics across videos to identify audio or visual events. In addition, our method explores event co-occurrence across audio, visual, and audio-visual streams. We leverage the explored cross-modality co-occurrence to localize segments of target events while excluding irrelevant ones. The discovered supervisory signals across different videos and modalities can greatly facilitate the training with only video-level annotations. Quantitative and qualitative results demonstrate that the proposed method performs favorably against existing methods on weakly-supervised audio-visual video parsing.

Convolutional networks are ubiquitous in deep learning. They are particularly useful for images, as they reduce the number of parameters, reduce training time, and increase accuracy. However, as a model of the brain they are seriously problematic, since they require weight sharing - something real neurons simply cannot do. Consequently, while neurons in the brain can be locally connected (one of the features of convolutional networks), they cannot be convolutional. Locally connected but non-convolutional networks, however, significantly underperform convolutional ones. This is troublesome for studies that use convolutional networks to explain activity in the visual system. Here we study plausible alternatives to weight sharing that aim at the same regularization principle, which is to make each neuron within a pool react similarly to identical inputs. The most natural way to do that is by showing the network multiple translations of the same image, akin to saccades in animal vision. However, this approach requires many translations, and doesn't remove the performance gap. We propose instead to add lateral connectivity to a locally connected network, and allow learning via Hebbian plasticity. This requires the network to pause occasionally for a sleep-like phase of "weight sharing". This method enables locally connected networks to achieve nearly convolutional performance on ImageNet and improves their fit to the ventral stream data, thus supporting convolutional networks as a model of the visual stream.

Counterfactual explanations are emerging as an attractive option for providing recourse to individuals adversely impacted by algorithmic decisions. As they are deployed in critical applications (e.g. law enforcement, financial lending), it becomes important to ensure that we clearly understand the vulnerabilties of these methods and find ways to address them. However, there is little understanding of the vulnerabilities and shortcomings of counterfactual explanations. In this work, we introduce the first framework that describes the vulnerabilities of counterfactual explanations and shows how they can be manipulated. More specifically, we show counterfactual explanations may converge to drastically different counterfactuals under a small perturbation indicating they are not robust. Leveraging this insight, we introduce a novel objective to train seemingly fair models where counterfactual explanations find much lower cost recourse under a slight perturbation. We describe how these models can unfairly provide low-cost recourse for specific subgroups in the data while appearing fair to auditors. We perform experiments on loan and violent crime prediction data sets where certain subgroups achieve up to 20x lower cost recourse under the perturbation. These results raise concerns regarding the dependability of current counterfactual explanation techniques, which we hope will inspire investigations in robust counterfactual explanations.

The existing literature on deep learning for tabular data proposes a wide range of novel architectures and reports competitive results on various datasets. However, the proposed models are usually not properly compared to each other and existing works often use different benchmarks and experiment protocols. As a result, it is unclear for both researchers and practitioners what models perform best. Additionally, the field still lacks effective baselines, that is, the easy-to-use models that provide competitive performance across different problems. In this work, we perform an overview of the main families of DL architectures for tabular data and raise the bar of baselines in tabular DL by identifying two simple and powerful deep architectures. The first one is a ResNet-like architecture which turns out to be a strong baseline that is often missing in prior works. The second model is our simple adaptation of the Transformer architecture for tabular data, which outperforms other solutions on most tasks. Both models are compared to many existing architectures on a diverse set of tasks under the same training and tuning protocols. We also compare the best DL models with Gradient Boosted Decision Trees and conclude that there is still no universally superior solution. The source code is available at https://github.com/yandex-research/rtdl.

In many online learning or multi-armed bandit problems, the taken actions or pulled arms are ordinal and required to be monotone over time. Examples include dynamic pricing, in which the firms use markup pricing policies to please early adopters and deter strategic waiting, and clinical trials, in which the dose allocation usually follows the dose escalation principle to prevent dose limiting toxicities. We consider the continuum-armed bandit problem when the arm sequence is required to be monotone. We show that when the unknown objective function is Lipschitz continuous, the regret is $O(T)$. When in addition the objective function is unimodal or quasiconcave, the regret is $\tilde O(T^{3/4})$ under the proposed algorithm, which is also shown to be the optimal rate. This deviates from the optimal rate $\tilde O(T^{2/3})$ in the continuous-armed bandit literature and demonstrates the cost to the learning efficiency brought by the monotonicity requirement.

Variational methods are extremely popular in the analysis of network data. Statistical guarantees obtained for these methods typically provide asymptotic normality for the problem of estimation of global model parameters under the stochastic block model. In the present work, we consider the case of networks with missing links that is important in application and show that the variational approximation to the maximum likelihood estimator converges at the minimax rate. This provides the first minimax optimal and tractable estimator for the problem of parameter estimation for the stochastic block model with missing links. We complement our results with numerical studies of simulated and real networks, which confirm the advantages of this estimator over current methods.

In two-player zero-sum extensive-form games, Nash equilibrium prescribes optimal strategies against perfectly rational opponents. However, it does not guarantee rational play in parts of the game tree that can only be reached by the players making mistakes. This can be problematic when operationalizing equilibria in the real world among imperfect players. Trembling-hand refinements are a sound remedy to this issue, and are subsets of Nash equilibria that are designed to handle the possibility that any of the players may make mistakes. In this paper, we initiate the study of equilibrium refinements for settings where one of the players is perfectly rational (the ``machine'') and the other may make mistakes. As we show, this endeavor has many pitfalls: many intuitively appealing approaches to refinement fail in various ways. On the positive side, we introduce a modification of the classical quasi-perfect equilibrium (QPE) refinement, which we call the one-sided quasi-perfect equilibrium. Unlike QPE, one-sided QPE only accounts for mistakes from one player and assumes that no mistakes will be made by the machine. We present experiments on standard benchmark games and an endgame from the famous man-machine match where the AI Libratus was the first to beat top human specialist professionals in heads-up no-limit Texas hold'em poker. We show that one-sided QPE can be computed more efficiently than all known prior refinements, paving the way to wider adoption of Nash equilibrium refinements in settings with perfectly rational machines (or humans perfectly actuating machine-generated strategies) that interact with players prone to mistakes. We also show that one-sided QPE tends to play better than a Nash equilibrium strategy against imperfect opponents.

We study prior-independent dynamic auction design with production costs for a value-maximizing buyer, a paradigm that is becoming prevalent recently following the development of automatic bidding algorithms in advertising platforms. In contrast to a utility-maximizing buyer, who maximizes the difference between her total value and total payment, a value-maximizing buyer aims to maximize her total value subject to a return on investment (ROI) constraint. Our main result is a dynamic mechanism with regret $\tilde{O}(T^{2/3})$, where $T$ is the time horizon, against the first-best benchmark, i.e., the maximum amount of revenue the seller can extract assuming all values of the buyer are publicly known.

We investigate the problem of active learning in the streaming setting in non-parametric regimes, where the labels are stochastically generated from a class of functions on which we make no assumptions whatsoever. We rely on recently proposed Neural Tangent Kernel (NTK) approximation tools to construct a suitable neural embedding that determines the feature space the algorithm operates on and the learned model computed atop. Since the shape of the label requesting threshold is tightly related to the complexity of the function to be learned, which is a-priori unknown, we also derive a version of the algorithm which is agnostic to any prior knowledge. This algorithm relies on a regret balancing scheme to solve the resulting online model selection problem, and is computationally efficient. We prove joint guarantees on the cumulative regret and number of requested labels which depend on the complexity of the labeling function at hand. In the linear case, these guarantees recover known minimax results of the generalization error as a function of the label complexity in a standard statistical learning setting.

It has been hypothesized that quantum computers may lend themselves well to applications in machine learning. In the present work, we analyze function classes defined via quantum kernels. Quantum computers offer the possibility to efficiently compute inner products of exponentially large density operators that are classically hard to compute. However, having an exponentially large feature space renders the problem of generalization hard. Furthermore, being able to evaluate inner products in high dimensional spaces efficiently by itself does not guarantee a quantum advantage, as already classically tractable kernels can correspond to high- or infinite-dimensional reproducing kernel Hilbert spaces (RKHS). We analyze the spectral properties of quantum kernels and find that we can expect an advantage if their RKHS is low dimensional and contains functions that are hard to compute classically. If the target function is known to lie in this class, this implies a quantum advantage, as the quantum computer can encode this inductive bias, whereas there is no classically efficient way to constrain the function class in the same way. However, we show that finding suitable quantum kernels is not easy because the kernel evaluation might require exponentially many measurements. In conclusion, our message is a somewhat sobering one: we conjecture that quantum machine learning models can offer speed-ups only if we manage to encode knowledge about the problem at hand into quantum circuits, while encoding the same bias into a classical model would be hard. These situations may plausibly occur when learning on data generated by a quantum process, however, they appear to be harder to come by for classical datasets.

Multi-agent behavior modeling and trajectory forecasting are crucial for the safe navigation of autonomous agents in interactive scenarios. Variational Autoencoder (VAE) has been widely applied in multi-agent interaction modeling to generate diverse behavior and learn a low-dimensional representation for interacting systems. However, existing literature did not formally discuss if a VAE-based model can properly encode interaction into its latent space. In this work, we argue that one of the typical formulations of VAEs in multi-agent modeling suffers from an issue we refer to as social posterior collapse, i.e., the model is prone to ignoring historical social context when predicting the future trajectory of an agent. It could cause significant prediction errors and poor generalization performance. We analyze the reason behind this under-explored phenomenon and propose several measures to tackle it. Afterward, we implement the proposed framework and experiment on real-world datasets for multi-agent trajectory prediction. In particular, we propose a novel sparse graph attention message-passing (sparse-GAMP) layer, which helps us detect social posterior collapse in our experiments. In the experiments, we verify that social posterior collapse indeed occurs. Also, the proposed measures are effective in alleviating the issue. As a result, the model attains better generalization performance when historical social context is informative for prediction.

Graph contrastive learning attracts/disperses node representations for similar/dissimilar node pairs under some notion of similarity. It may be combined with a low-dimensional embedding of nodes to preserve intrinsic and structural properties of a graph. In this paper, we extend the celebrated Laplacian Eigenmaps with contrastive learning, and call them COntrastive Laplacian EigenmapS (COLES). Starting from a GAN-inspired contrastive formulation, we show that the Jensen-Shannon divergence underlying many contrastive graph embedding models fails under disjoint positive and negative distributions, which may naturally emerge during sampling in the contrastive setting. In contrast, we demonstrate analytically that COLES essentially minimizes a surrogate of Wasserstein distance, which is known to cope well under disjoint distributions. Moreover, we show that the loss of COLES belongs to the family of so-called block-contrastive losses, previously shown to be superior compared to pair-wise losses typically used by contrastive methods. We show on popular benchmarks/backbones that COLES offers favourable accuracy/scalability compared to DeepWalk, GCN, Graph2Gauss, DGI and GRACE baselines.

We present Grammar-Based Grounded Language Learning (G2L2), a lexicalist approach toward learning a compositional and grounded meaning representation of language from grounded data, such as paired images and texts. At the core of G2L2 is a collection of lexicon entries, which map each word to a tuple of a syntactic type and a neuro-symbolic semantic program. For example, the word shiny has a syntactic type of adjective; its neuro-symbolic semantic program has the symbolic form $\lambda x.\textit{filter}(x, \textbf{SHINY})$, where the concept SHINY is associated with a neural network embedding, which will be used to classify shiny objects. Given an input sentence, G2L2 first looks up the lexicon entries associated with each token. It then derives the meaning of the sentence as an executable neuro-symbolic program by composing lexical meanings based on syntax. The recovered meaning programs can be executed on grounded inputs. To facilitate learning in an exponentially-growing compositional space, we introduce a joint parsing and expected execution algorithm, which does local marginalization over derivations to reduce the training time. We evaluate G2L2 on two domains: visual reasoning and language-driven navigation. Results show that G2L2 can generalize from small amounts of data to novel compositions of words.

Explanation techniques that synthesize small, interpretable changes to a given image while producing desired changes in the model prediction have become popular for introspecting black-box models. Commonly referred to as counterfactuals, the synthesized explanations are required to contain discernible changes (for easy interpretability) while also being realistic (consistency to the data manifold). In this paper, we focus on the case where we have access only to the trained deep classifier and not the actual training data. While the problem of inverting deep models to synthesize images from the training distribution has been explored, our goal is to develop a deep inversion approach to generate counterfactual explanations for a given query image. Despite their effectiveness in conditional image synthesis, we show that existing deep inversion methods are insufficient for producing meaningful counterfactuals. We propose DISC (Deep Inversion for Synthesizing Counterfactuals) that improves upon deep inversion by utilizing (a) stronger image priors, (b) incorporating a novel manifold consistency objective and (c) adopting a progressive optimization strategy. We find that, in addition to producing visually meaningful explanations, the counterfactuals from DISC are effective at learning classifier decision boundaries and are robust to unknown test-time corruptions.

The goal of self-supervised visual representation learning is to learn strong, transferable image representations, with the majority of research focusing on object or scene level. On the other hand, representation learning at part level has received significantly less attention. In this paper, we propose an unsupervised approach to object part discovery and segmentation and make three contributions. First, we construct a proxy task through a set of objectives that encourages the model to learn a meaningful decomposition of the image into its parts. Secondly, prior work argues for reconstructing or clustering pre-computed features as a proxy to parts; we show empirically that this alone is unlikely to find meaningful parts; mainly because of their low resolution and the tendency of classification networks to spatially smear out information. We suggest that image reconstruction at the level of pixels can alleviate this problem, acting as a complementary cue. Lastly, we show that the standard evaluation based on keypoint regression does not correlate well with segmentation quality and thus introduce different metrics, NMI and ARI, that better characterize the decomposition of objects into parts. Our method yields semantic parts which are consistent across fine-grained but visually distinct categories, outperforming the state of the art on three benchmark datasets. Code is available at the project page: https://www.robots.ox.ac.uk/~vgg/research/unsup-parts/.

Most existing point cloud detection models require large-scale, densely annotated datasets. They typically underperform in domain adaptation settings, due to geometry shifts caused by different physical environments or LiDAR sensor configurations. Therefore, it is challenging but valuable to learn transferable features between a labeled source domain and a novel target domain, without any access to target labels. To tackle this problem, we introduce the framework of 3D Contrastive Co-training (3D-CoCo) with two technical contributions. First, 3D-CoCo is inspired by our observation that the bird-eye-view (BEV) features are more transferable than low-level geometry features. We thus propose a new co-training architecture that includes separate 3D encoders with domain-specific parameters, as well as a BEV transformation module for learning domain-invariant features. Second, 3D-CoCo extends the approach of contrastive instance alignment to point cloud detection, whose performance was largely hindered by the mismatch between the fictitious distribution of BEV features, induced by pseudo-labels, and the true distribution. The mismatch is greatly reduced by 3D-CoCo with transformed point clouds, which are carefully designed by considering specific geometry priors. We construct new domain adaptation benchmarks using three large-scale 3D datasets. Experimental results show that our proposed 3D-CoCo effectively closes the domain gap and outperforms the state-of-the-art methods by large margins.

Transformer is a new kind of neural architecture which encodes the input data as powerful features via the attention mechanism. Basically, the visual transformers first divide the input images into several local patches and then calculate both representations and their relationship. Since natural images are of high complexity with abundant detail and color information, the granularity of the patch dividing is not fine enough for excavating features of objects in different scales and locations. In this paper, we point out that the attention inside these local patches are also essential for building visual transformers with high performance and we explore a new architecture, namely, Transformer iN Transformer (TNT). Specifically, we regard the local patches (\eg, 16$\times$16) as “visual sentences” and present to further divide them into smaller patches (\eg, 4$\times$4) as “visual words”. The attention of each word will be calculated with other words in the given visual sentence with negligible computational costs. Features of both words and sentences will be aggregated to enhance the representation ability. Experiments on several benchmarks demonstrate the effectiveness of the proposed TNT architecture, \eg, we achieve an 81.5\% top-1 accuracy on the ImageNet, which is about 1.7\% higher than that of the state-of-the-art visual transformer with similar computational cost. The PyTorch code is available at \url{https://github.com/huawei-noah/CV-Backbones}, and the MindSpore code is available at \url{https://gitee.com/mindspore/models/tree/master/research/cv/TNT}.

When facing uncertainty, decision-makers want predictions they can trust. A machine learning provider can convey confidence to decision-makers by guaranteeing their predictions are distribution calibrated--- amongst the inputs that receive a predicted vector of class probabilities q, the actual distribution over classes is given by q. For multi-class prediction problems, however, directly optimizing predictions under distribution calibration tends to be infeasible, requiring sample complexity that grows exponentially in the number of classes C. In this work, we introduce a new notion---decision calibration---that requires the predicted distribution and true distribution over classes to be ``indistinguishable'' to downstream decision-makers. This perspective gives a new characterization of distribution calibration: a predictor is distribution calibrated if and only if it is decision calibrated with respect to all decision-makers. Our main result shows that under a mild restriction, unlike distribution calibration, decision calibration is actually feasible. We design a recalibration algorithm that provably achieves decision calibration efficiently, provided that the decision-makers have a bounded number of actions (e.g., polynomial in C). We validate our recalibration algorithm empirically: compared to existing methods, decision calibration improves decision-making on skin lesion and ImageNet classification with modern neural network predictors.