NeurIPS 2021 Papers

Extracting the interaction rules of biological agents from movement sequences pose challenges in various domains. Granger causality is a practical framework for analyzing the interactions from observed time-series data; however, this framework ignores the structures and assumptions of the generative process in animal behaviors, which may lead to interpretational problems and sometimes erroneous assessments of causality. In this paper, we propose a new framework for learning Granger causality from multi-animal trajectories via augmented theory-based behavioral models with interpretable data-driven models. We adopt an approach for augmenting incomplete multi-agent behavioral models described by time-varying dynamical systems with neural networks. For efficient and interpretable learning, our model leverages theory-based architectures separating navigation and motion processes, and the theory-guided regularization for reliable behavioral modeling. This can provide interpretable signs of Granger-causal effects over time, i.e., when specific others cause the approach or separation. In experiments using synthetic datasets, our method achieved better performance than various baselines. We then analyzed multi-animal datasets of mice, flies, birds, and bats, which verified our method and obtained novel biological insights.

We propose a methodology for modifying the behavior of a classifier by directly rewriting its prediction rules. Our method requires virtually no additional data collection and can be applied to a variety of settings, including adapting a model to new environments, and modifying it to ignore spurious features.

In human pedagogy, teachers and students can interact adaptively to maximize communication efficiency. The teacher adjusts her teaching method for different students, and the student, after getting familiar with the teacher’s instruction mechanism, can infer the teacher’s intention to learn faster. Recently, the benefits of integrating this cooperative pedagogy into machine concept learning in discrete spaces have been proved by multiple works. However, how cooperative pedagogy can facilitate machine parameter learning hasn’t been thoroughly studied. In this paper, we propose a gradient optimization based teacher-aware learner who can incorporate teacher’s cooperative intention into the likelihood function and learn provably faster compared with the naive learning algorithms used in previous machine teaching works. We give theoretical proof that the iterative teacher-aware learning (ITAL) process leads to local and global improvements. We then validate our algorithms with extensive experiments on various tasks including regression, classification, and inverse reinforcement learning using synthetic and real data. We also show the advantage of modeling teacher-awareness when agents are learning from human teachers.

There is an increasing interest in emulating Spiking Neural Networks (SNNs) on neuromorphic computing devices due to their low energy consumption. Recent advances have allowed training SNNs to a point where they start to compete with traditional Artificial Neural Networks (ANNs) in terms of accuracy, while at the same time being energy efficient when run on neuromorphic hardware. However, the process of training SNNs is still based on dense tensor operations originally developed for ANNs which do not leverage the spatiotemporally sparse nature of SNNs. We present here the first sparse SNN backpropagation algorithm which achieves the same or better accuracy as current state of the art methods while being significantly faster and more memory efficient. We show the effectiveness of our method on real datasets of varying complexity (Fashion-MNIST, Neuromophic-MNIST and Spiking Heidelberg Digits) achieving a speedup in the backward pass of up to $150$x, and $85\%$ more memory efficient, without losing accuracy.

Search-based tensor compilers can greatly accelerate the execution of machine learning models by generating high-performance tensor programs, such as matrix multiplications and convolutions. These compilers take a high-level mathematical expression as input and search for the fastest low-level implementations. At the core of the search procedure is a cost model which estimates the performance of different candidates to reduce the frequency of time-consuming on-device measurements. There has been a growing interest in using machine learning techniques to learn a cost model to ease the effort of building an analytical model. However, a standard dataset for pre-training and benchmarking learned cost models is lacking. We introduce TenSet, a large-scale tensor program performance dataset. TenSet contains 52 million program performance records collected from 6 hardware platforms. We provide comprehensive studies on how to learn and evaluate the cost models, including data collection, model architectures, loss functions, transfer learning, and evaluation metrics. We also show that a cost model pre-trained on TenSet can accelerate the search time in the state-of-the-art tensor compiler by up to 10$\times$. The dataset is available at https://github.com/tlc-pack/tenset.

Achieving transferability of targeted attacks is reputed to be remarkably difficult. The current state of the art has resorted to resource-intensive solutions that necessitate training model(s) for each target class with additional data. In our investigation, we find, however, that simple transferable attacks which require neither model training nor additional data can achieve surprisingly strong targeted transferability. This insight has been overlooked until now, mainly because the widespread practice of attacking with only few iterations has largely limited the attack convergence to optimal targeted transferability. In particular, we, for the first time, identify that a very simple logit loss can largely surpass the commonly adopted cross-entropy loss, and yield even better results than the resource-intensive state of the art. Our analysis spans a variety of transfer scenarios, especially including three new, realistic scenarios: an ensemble transfer scenario with little model similarity, a worse-case scenario with low-ranked target classes, and also a real-world attack on the Google Cloud Vision API. Results in these new transfer scenarios demonstrate that the commonly adopted, easy scenarios cannot fully reveal the actual strength of different attacks and may cause misleading comparative results. We also show the usefulness of the simple logit loss for generating targeted universal adversarial perturbations in a data-free manner. Overall, the aim of our analysis is to inspire a more meaningful evaluation on targeted transferability. Code is available at https://github.com/ZhengyuZhao/Targeted-Tansfer.

Learning to reconstruct 3D garments is important for dressing 3D human bodies of different shapes in different poses. Previous works typically rely on 2D images as input, which however suffer from the scale and pose ambiguities. To circumvent the problems caused by 2D images, we propose a principled framework, Garment4D, that uses 3D point cloud sequences of dressed humans for garment reconstruction. Garment4D has three dedicated steps: sequential garments registration, canonical garment estimation, and posed garment reconstruction. The main challenges are two-fold: 1) effective 3D feature learning for fine details, and 2) capture of garment dynamics caused by the interaction between garments and the human body, especially for loose garments like skirts. To unravel these problems, we introduce a novel Proposal-Guided Hierarchical Feature Network and Iterative Graph Convolution Network, which integrate both high-level semantic features and low-level geometric features for fine details reconstruction. Furthermore, we propose a Temporal Transformer for smooth garment motions capture. Unlike non-parametric methods, the reconstructed garment meshes by our method are separable from the human body and have strong interpretability, which is desirable for downstream tasks. As the first attempt at this task, high-quality reconstruction results are qualitatively and quantitatively illustrated through extensive experiments. Codes are available at https://github.com/hongfz16/Garment4D.

Adversarial attacks based on randomized search schemes have obtained state-of-the-art results in black-box robustness evaluation recently. However, as we demonstrate in this work, their efficiency in different query budget regimes depends on manual design and heuristic tuning of the underlying proposal distributions. We study how this issue can be addressed by adapting the proposal distribution online based on the information obtained during the attack. We consider Square Attack, which is a state-of-the-art score-based black-box attack, and demonstrate how its performance can be improved by a learned controller that adjusts the parameters of the proposal distribution online during the attack. We train the controller using gradient-based end-to-end training on a CIFAR10 model with white box access. We demonstrate that plugging the learned controller into the attack consistently improves its black-box robustness estimate in different query regimes by up to 20% for a wide range of different models with black-box access. We further show that the learned adaptation principle transfers well to the other data distributions such as CIFAR100 or ImageNet and to the targeted attack setting.

We introduce a framework that abstracts Reinforcement Learning (RL) as a sequence modeling problem. This allows us to draw upon the simplicity and scalability of the Transformer architecture, and associated advances in language modeling such as GPT-x and BERT. In particular, we present Decision Transformer, an architecture that casts the problem of RL as conditional sequence modeling. Unlike prior approaches to RL that fit value functions or compute policy gradients, Decision Transformer simply outputs the optimal actions by leveraging a causally masked Transformer. By conditioning an autoregressive model on the desired return (reward), past states, and actions, our Decision Transformer model can generate future actions that achieve the desired return. Despite its simplicity, Decision Transformer matches or exceeds the performance of state-of-the-art model-free offline RL baselines on Atari, OpenAI Gym, and Key-to-Door tasks.

The plug-and-play priors (PnP) and regularization by denoising (RED) methods have become widely used for solving inverse problems by leveraging pre-trained deep denoisers as image priors. While the empirical imaging performance and the theoretical convergence properties of these algorithms have been widely investigated, their recovery properties have not previously been theoretically analyzed. We address this gap by showing how to establish theoretical recovery guarantees for PnP/RED by assuming that the solution of these methods lies near the fixed-points of a deep neural network. We also present numerical results comparing the recovery performance of PnP/RED in compressive sensing against that of recent compressive sensing algorithms based on generative models. Our numerical results suggest that PnP with a pre-trained artifact removal network provides significantly better results compared to the existing state-of-the-art methods.

Instance-based interpretation methods have been widely studied for supervised learning methods as they help explain how black box neural networks predict. However, instance-based interpretations remain ill-understood in the context of unsupervised learning. In this paper, we investigate influence functions [Koh and Liang, 2017], a popular instance-based interpretation method, for a class of deep generative models called variational auto-encoders (VAE). We formally frame the counter-factual question answered by influence functions in this setting, and through theoretical analysis, examine what they reveal about the impact of training samples on classical unsupervised learning methods. We then introduce VAE- TracIn, a computationally efficient and theoretically sound solution based on Pruthi et al. [2020], for VAEs. Finally, we evaluate VAE-TracIn on several real world datasets with extensive quantitative and qualitative analysis.

In recent years, deep off-policy actor-critic algorithms have become a dominant approach to reinforcement learning for continuous control. One of the primary drivers of this improved performance is the use of pessimistic value updates to address function approximation errors, which previously led to disappointing performance. However, a direct consequence of pessimism is reduced exploration, running counter to theoretical support for the efficacy of optimism in the face of uncertainty. So which approach is best? In this work, we show that the most effective degree of optimism can vary both across tasks and over the course of learning. Inspired by this insight, we introduce a novel deep actor-critic framework, Tactical Optimistic and Pessimistic (TOP) estimation, which switches between optimistic and pessimistic value learning online. This is achieved by formulating the selection as a multi-arm bandit problem. We show in a series of continuous control tasks that TOP outperforms existing methods which rely on a fixed degree of optimism, setting a new state of the art in challenging pixel-based environments. Since our changes are simple to implement, we believe these insights can easily be incorporated into a multitude of off-policy algorithms.

Recent work in scientific machine learning has developed so-called physics-informed neural network (PINN) models. The typical approach is to incorporate physical domain knowledge as soft constraints on an empirical loss function and use existing machine learning methodologies to train the model. We demonstrate that, while existing PINN methodologies can learn good models for relatively trivial problems, they can easily fail to learn relevant physical phenomena for even slightly more complex problems. In particular, we analyze several distinct situations of widespread physical interest, including learning differential equations with convection, reaction, and diffusion operators. We provide evidence that the soft regularization in PINNs, which involves PDE-based differential operators, can introduce a number of subtle problems, including making the problem more ill-conditioned. Importantly, we show that these possible failure modes are not due to the lack of expressivity in the NN architecture, but that the PINN's setup makes the loss landscape very hard to optimize. We then describe two promising solutions to address these failure modes. The first approach is to use curriculum regularization, where the PINN's loss term starts from a simple PDE regularization, and becomes progressively more complex as the NN gets trained. The second approach is to pose the problem as a sequence-to-sequence learning task, rather than learning to predict the entire space-time at once. Extensive testing shows that we can achieve up to 1-2 orders of magnitude lower error with these methods as compared to regular PINN training.

The Neural Tangent Kernel (NTK) characterizes the behavior of infinitely-wide neural networks trained under least squares loss by gradient descent. Recent works also report that NTK regression can outperform finitely-wide neural networks trained on small-scale datasets. However, the computational complexity of kernel methods has limited its use in large-scale learning tasks. To accelerate learning with NTK, we design a near input-sparsity time approximation algorithm for NTK, by sketching the polynomial expansions of arc-cosine kernels: our sketch for the convolutional counterpart of NTK (CNTK) can transform any image using a linear runtime in the number of pixels. Furthermore, we prove a spectral approximation guarantee for the NTK matrix, by combining random features (based on leverage score sampling) of the arc-cosine kernels with a sketching algorithm. We benchmark our methods on various large-scale regression and classification tasks and show that a linear regressor trained on our CNTK features matches the accuracy of exact CNTK on CIFAR-10 dataset while achieving 150x speedup.

Unsupervised domain adaptation which aims to adapt models trained on a labeled source domain to a completely unlabeled target domain has attracted much attention in recent years. While many domain adaptation techniques have been proposed for images, the problem of unsupervised domain adaptation in videos remains largely underexplored. In this paper, we introduce Contrast and Mix (CoMix), a new contrastive learning framework that aims to learn discriminative invariant feature representations for unsupervised video domain adaptation. First, unlike existing methods that rely on adversarial learning for feature alignment, we utilize temporal contrastive learning to bridge the domain gap by maximizing the similarity between encoded representations of an unlabeled video at two different speeds as well as minimizing the similarity between different videos played at different speeds. Second, we propose a novel extension to the temporal contrastive loss by using background mixing that allows additional positives per anchor, thus adapting contrastive learning to leverage action semantics shared across both domains. Moreover, we also integrate a supervised contrastive learning objective using target pseudo-labels to enhance discriminability of the latent space for video domain adaptation. Extensive experiments on several benchmark datasets demonstrate the superiority of our proposed approach over state-of-the-art methods. Project page: https://cvir.github.io/projects/comix.

Geometric alignment appears in a variety of applications, ranging from domain adaptation, optimal transport, and normalizing flows in machine learning; optical flow and learned augmentation in computer vision and deformable registration within biomedical imaging. A recurring challenge is the alignment of domains whose topology is not the same; a problem that is routinely ignored, potentially introducing bias in downstream analysis. As a first step towards solving such alignment problems, we propose an unsupervised algorithm for the detection of changes in image topology. The model is based on a conditional variational auto-encoder and detects topological changes between two images during the registration step. We account for both topological changes in the image under spatial variation and unexpected transformations. Our approach is validated on two tasks and datasets: detection of topological changes in microscopy images of cells, and unsupervised anomaly detection brain imaging.

We consider the problem of offline policy evaluation~(OPE) with Markov decision processes~(MDPs), where the goal is to estimate the utility of given decision-making policies based on static datasets. Recently, theoretical understanding of OPE has been rapidly advanced under (approximate) realizability assumptions, i.e., where the environments of interest are well approximated with the given hypothetical models. On the other hand, the OPE under unrealizability has not been well understood as much as in the realizable setting despite its importance in real-world applications. To address this issue, we study the behavior of a simple existing OPE method called the linear direct method~(DM) under the unrealizability. Consequently, we obtain an asymptotically exact characterization of the OPE error in a doubly robust form. Leveraging this result, we also establish the nonparametric consistency of the tile-coding estimators under quite mild assumptions.

In the context of lossy compression, Blau \& Michaeli (2019) adopt a mathematical notion of perceptual quality and define the information rate-distortion-perception function, generalizing the classical rate-distortion tradeoff. We consider the notion of universal representations in which one may fix an encoder and vary the decoder to achieve any point within a collection of distortion and perception constraints. We prove that the corresponding information-theoretic universal rate-distortion-perception function is operationally achievable in an approximate sense. Under MSE distortion, we show that the entire distortion-perception tradeoff of a Gaussian source can be achieved by a single encoder of the same rate asymptotically. We then characterize the achievable distortion-perception region for a fixed representation in the case of arbitrary distributions, and identify conditions under which the aforementioned results continue to hold approximately. This motivates the study of practical constructions that are approximately universal across the RDP tradeoff, thereby alleviating the need to design a new encoder for each objective. We provide experimental results on MNIST and SVHN suggesting that on image compression tasks, the operational tradeoffs achieved by machine learning models with a fixed encoder suffer only a small penalty when compared to their variable encoder counterparts.

Multilayer-perceptrons (MLP) are known to struggle learning functions of high-frequencies, and in particular, instances of wide frequency bands. We present a progressive mapping scheme for input signals of MLP networks, enabling them to better fit a wide range of frequencies without sacrificing training stability or requiring any domain specific preprocessing. We introduce Spatially Adaptive Progressive Encoding (SAPE) layers, which gradually unmask signal components with increasing frequencies as a function of time and space. The progressive exposure of frequencies is monitored by a feedback loop throughout the neural optimization process, allowing changes to propagate at different rates among local spatial portions of the signal space. We demonstrate the advantage of our method on variety of domains and applications: regression of low dimensional signals and images, representation learning of occupancy networks, and a geometric task of mesh transfer between 3D shapes.