NeurIPS 2021 Papers

Mainstream approaches for unsupervised domain adaptation (UDA) learn domain-invariant representations to narrow the domain shift, which are empirically effective but theoretically challenged by the hardness or impossibility theorems. Recently, self-training has been gaining momentum in UDA, which exploits unlabeled target data by training with target pseudo-labels. However, as corroborated in this work, under distributional shift, the pseudo-labels can be unreliable in terms of their large discrepancy from target ground truth. In this paper, we propose Cycle Self-Training (CST), a principled self-training algorithm that explicitly enforces pseudo-labels to generalize across domains. CST cycles between a forward step and a reverse step until convergence. In the forward step, CST generates target pseudo-labels with a source-trained classifier. In the reverse step, CST trains a target classifier using target pseudo-labels, and then updates the shared representations to make the target classifier perform well on the source data. We introduce the Tsallis entropy as a confidence-friendly regularization to improve the quality of target pseudo-labels. We analyze CST theoretically under realistic assumptions, and provide hard cases where CST recovers target ground truth, while both invariant feature learning and vanilla self-training fail. Empirical results indicate that CST significantly improves over the state-of-the-arts on visual recognition and sentiment analysis benchmarks.

Recovery of support of a sparse vector from simple measurements is a widely studied problem, considered under the frameworks of compressed sensing, 1-bit compressed sensing, and more general single index models. We consider generalizations of this problem: mixtures of linear regressions, and mixtures of linear classifiers, where the goal is to recover supports of multiple sparse vectors using only a small number of possibly noisy linear, and 1-bit measurements respectively. The key challenge is that the measurements from different vectors are randomly mixed. Both of these problems have also received attention recently. In mixtures of linear classifiers, an observation corresponds to the side of the queried hyperplane a random unknown vector lies in; whereas in mixtures of linear regressions we observe the projection of a random unknown vector on the queried hyperplane. The primary step in recovering the unknown vectors from the mixture is to first identify the support of all the individual component vectors. In this work, we study the number of measurements sufficient for recovering the supports of all the component vectors in a mixture in both these models. We provide algorithms that use a number of measurements polynomial in $k, \log n$ and quasi-polynomial in $\ell$, to recover the support of all the $\ell$ unknown vectors in the mixture with high probability when each individual component is a $k$-sparse $n$-dimensional vector.

Theoretical results show that neural networks can be approximated by Gaussian processes in the infinite-width limit. However, for fully connected networks, it has been previously shown that for any fixed network width, $n$, the Gaussian approximation gets worse as the network depth, $d$, increases. Given that modern networks are deep, this raises the question of how well modern architectures, like ResNets, are captured by the infinite-width limit. To provide a better approximation, we study ReLU ResNets in the infinite-depth-and-width limit, where \emph{both} depth and width tend to infinity as their ratio, $d/n$, remains constant. In contrast to the Gaussian infinite-width limit, we show theoretically that the network exhibits log-Gaussian behaviour at initialization in the infinite-depth-and-width limit, with parameters depending on the ratio $d/n$. Using Monte Carlo simulations, we demonstrate that even basic properties of standard ResNet architectures are poorly captured by the Gaussian limit, but remarkably well captured by our log-Gaussian limit. Moreover, our analysis reveals that ReLU ResNets at initialization are hypoactivated: fewer than half of the ReLUs are activated. Additionally, we calculate the interlayer correlations, which have the effect of exponentially increasing the variance of the network output. Based on our analysis, we introduce \emph{Balanced ResNets}, a simple architecture modification, which eliminates hypoactivation and interlayer correlations and is more amenable to theoretical analysis.

In real word applications, data generating process for training a machine learning model often differs from what the model encounters in the test stage. Understanding how and whether machine learning models generalize under such distributional shifts have been a theoretical challenge. Here, we study generalization in kernel regression when the training and test distributions are different using methods from statistical physics. Using the replica method, we derive an analytical formula for the out-of-distribution generalization error applicable to any kernel and real datasets. We identify an overlap matrix that quantifies the mismatch between distributions for a given kernel as a key determinant of generalization performance under distribution shift. Using our analytical expressions we elucidate various generalization phenomena including possible improvement in generalization when there is a mismatch. We develop procedures for optimizing training and test distributions for a given data budget to find best and worst case generalizations under the shift. We present applications of our theory to real and synthetic datasets and for many kernels. We compare results of our theory applied to Neural Tangent Kernel with simulations of wide networks and show agreement. We analyze linear regression in further depth.

Large Transformer models yield impressive results on many tasks, but are expensive to train, or even fine-tune, and so slow at decoding that their use and study becomes out of reach. We address this problem by leveraging sparsity. We study sparse variants for all layers in the Transformer and propose Scaling Transformers, a family of next generation Transformer models that use sparse layers to scale efficiently and perform unbatched decoding much faster than the standard Transformer as we scale up the model size. Surprisingly, the sparse layers are enough to obtain the same perplexity as the standard Transformer with the same number of parameters. We also integrate with prior sparsity approaches to attention and enable fast inference on long sequences even with limited memory. This results in performance competitive to the state-of-the-art on long text summarization.

We systematically study the query complexity of learning geodesically convex halfspaces on graphs. Geodesic convexity is a natural generalisation of Euclidean convexity and allows the definition of convex sets and halfspaces on graphs. We prove an upper bound on the query complexity linear in the treewidth and the minimum hull set size but only logarithmic in the diameter. We show tight lower bounds along well-established separation axioms and identify the Radon number as a central parameter of the query complexity and the VC dimension. While previous bounds typically depend on the cut size of the labelling, all parameters in our bounds can be computed from the unlabelled graph. We provide evidence that ground-truth communities in real-world graphs are often convex and empirically compare our proposed approach with other active learning algorithms.

We propose several schemes for upper bounding the optimal value of the constrained most probable explanation (CMPE) problem. Given a set of discrete random variables, two probabilistic graphical models defined over them and a real number $q$, this problem involves finding an assignment of values to all the variables such that the probability of the assignment is maximized according to the first model and is bounded by $q$ w.r.t. the second model. In prior work, it was shown that CMPE is a unifying problem with several applications and special cases including the nearest assignment problem, the decision preserving most probable explanation task and robust estimation. It was also shown that CMPE is NP-hard even on tractable models such as bounded treewidth networks and is hard for integer linear programming methods because it includes a dense global constraint. The main idea in our approach is to simplify the problem via Lagrange relaxation and decomposition to yield either a knapsack problem or the unconstrained most probable explanation (MPE) problem, and then solving the two problems, respectively using specialized knapsack algorithms and mini-buckets based upper bounding schemes. We evaluate our proposed scheme along several dimensions including quality of the bounds and computation time required on various benchmark graphical models and how it can be used to find heuristic, near-optimal feasible solutions in an example application pertaining to robust estimation and adversarial attacks on classifiers.

Despite tremendous success in many application scenarios, the training and inference costs of using deep learning are also rapidly increasing over time. The lottery ticket hypothesis (LTH) emerges as a promising framework to leverage a special sparse subnetwork (i.e., $\textit{winning ticket}$) instead of a full model for both training and inference, that can lower both costs without sacrificing the performance. The main resource bottleneck of LTH is however the extraordinary cost to find the sparse mask of the winning ticket. That makes the found winning ticket become a valuable asset to the owners, highlighting the necessity of protecting its copyright. Our setting adds a new dimension to the recently soaring interest in protecting against the intellectual property (IP) infringement of deep models and verifying their ownerships, since they take owners' massive/unique resources to develop or train. While existing methods explored encrypted weights or predictions, we investigate a unique way to leverage sparse topological information to perform $\textit{lottery verification}$, by developing several graph-based signatures that can be embedded as credentials. By further combining trigger set-based methods, our proposal can work in both white-box and black-box verification scenarios. Through extensive experiments, we demonstrate the effectiveness of lottery verification in diverse models (ResNet-20, ResNet-18, ResNet-50) on CIFAR-10 and CIFAR-100. Specifically, our verification is shown to be robust to removal attacks such as model fine-tuning and pruning, as well as several ambiguity attacks. Our codes are available at https://github.com/VITA-Group/NO-stealing-LTH.

Deep state-space models (DSSMs) enable temporal predictions by learning the underlying dynamics of observed sequence data. They are often trained by maximising the evidence lower bound. However, as we show, this does not ensure the model actually learns the underlying dynamics. We therefore propose a constrained optimisation framework as a general approach for training DSSMs. Building upon this, we introduce the extended Kalman VAE (EKVAE), which combines amortised variational inference with classic Bayesian filtering/smoothing to model dynamics more accurately than RNN-based DSSMs. Our results show that the constrained optimisation framework significantly improves system identification and prediction accuracy on the example of established state-of-the-art DSSMs. The EKVAE outperforms previous models w.r.t. prediction accuracy, achieves remarkable results in identifying dynamical systems, and can furthermore successfully learn state-space representations where static and dynamic features are disentangled.

A common approach to prediction and planning in partially observable domains is to use recurrent neural networks (RNNs), which ideally develop and maintain a latent memory about hidden, task-relevant factors. We hypothesize that many of these hidden factors in the physical world are constant over time, changing only sparsely. To study this hypothesis, we propose Gated $L_0$ Regularized Dynamics (GateL0RD), a novel recurrent architecture that incorporates the inductive bias to maintain stable, sparsely changing latent states. The bias is implemented by means of a novel internal gating function and a penalty on the $L_0$ norm of latent state changes. We demonstrate that GateL0RD can compete with or outperform state-of-the-art RNNs in a variety of partially observable prediction and control tasks. GateL0RD tends to encode the underlying generative factors of the environment, ignores spurious temporal dependencies, and generalizes better, improving sampling efficiency and overall performance in model-based planning and reinforcement learning tasks. Moreover, we show that the developing latent states can be easily interpreted, which is a step towards better explainability in RNNs.

The rapid increase in sizes of state-of-the-art DNN models, and consequently the increase in the compute and memory requirements of model training, has led to the development of many execution schemes such as data parallelism, pipeline model parallelism, tensor (intra-layer) model parallelism, and various memory-saving optimizations. However, no prior work has tackled the highly complex problem of optimally partitioning the DNN computation graph across many accelerators while combining all these parallelism modes and optimizations. In this work, we introduce Piper, an efficient optimization algorithm for this problem that is based on a two-level dynamic programming approach. Our two-level approach is driven by the insight that being given tensor-parallelization techniques for individual layers (e.g., Megatron-LM's splits for transformer layers) significantly reduces the search space and makes the global problem tractable, compared to considering tensor-parallel configurations for the entire DNN operator graph.

The recovery of sparse data is at the core of many applications in machine learning and signal processing. While such problems can be tackled using $\ell_1$-regularization as in the LASSO estimator and in the Basis Pursuit approach, specialized algorithms are typically required to solve the corresponding high-dimensional non-smooth optimization for large instances. Iteratively Reweighted Least Squares (IRLS) is a widely used algorithm for this purpose due to its excellent numerical performance. However, while existing theory is able to guarantee convergence of this algorithm to the minimizer, it does not provide a global convergence rate. In this paper, we prove that a variant of IRLS converges \emph{with a global linear rate} to a sparse solution, i.e., with a linear error decrease occurring immediately from any initialization if the measurements fulfill the usual null space property assumption. We support our theory by numerical experiments showing that our linear rate captures the correct dimension dependence. We anticipate that our theoretical findings will lead to new insights for many other use cases of the IRLS algorithm, such as in low-rank matrix recovery.

Adversarial imitation learning has become a popular framework for imitation in continuous control. Over the years, several variations of its components were proposed to enhance the performance of the learned policies as well as the sample complexity of the algorithm. In practice, these choices are rarely tested all together in rigorous empirical studies. It is therefore difficult to discuss and understand what choices, among the high-level algorithmic options as well as low-level implementation details, matter. To tackle this issue, we implement more than 50 of these choices in a generic adversarial imitation learning framework and investigate their impacts in a large-scale study (>500k trained agents) with both synthetic and human-generated demonstrations. We analyze the key results and highlight the most surprising findings.

An overarching goal in machine learning is to build a generalizable model with few samples. To this end, overparameterization has been the subject of immense interest to explain the generalization ability of deep nets even when the size of the dataset is smaller than that of the model. While the prior literature focuses on the classical supervised setting, this paper aims to demystify overparameterization for meta-learning. Here we have a sequence of linear-regression tasks and we ask: (1) Given earlier tasks, what is the optimal linear representation of features for a new downstream task? and (2) How many samples do we need to build this representation? This work shows that surprisingly, overparameterization arises as a natural answer to these fundamental meta-learning questions. Specifically, for (1), we first show that learning the optimal representation coincides with the problem of designing a task-aware regularization to promote inductive bias. We leverage this inductive bias to explain how the downstream task actually benefits from overparameterization, in contrast to prior works on few-shot learning. For (2), we develop a theory to explain how feature covariance can implicitly help reduce the sample complexity well below the degrees of freedom and lead to small estimation error. We then integrate these findings to obtain an overall performance guarantee for our meta-learning algorithm. Numerical experiments on real and synthetic data verify our insights on overparameterized meta-learning.

Generalized Zero-Shot Learning (GZSL) aims to recognize new categories with auxiliary semantic information, e.g., category attributes. In this paper, we handle the critical issue of domain shift problem, i.e., confusion between seen and unseen categories, by progressively improving cross-domain transferability and category discriminability of visual representations. Our approach, named Dual Progressive Prototype Network (DPPN), constructs two types of prototypes that record prototypical visual patterns for attributes and categories, respectively. With attribute prototypes, DPPN alternately searches attribute-related local regions and updates corresponding attribute prototypes to progressively explore accurate attribute-region correspondence. This enables DPPN to produce visual representations with accurate attribute localization ability, which benefits the semantic-visual alignment and representation transferability. Besides, along with progressive attribute localization, DPPN further projects category prototypes into multiple spaces to progressively repel visual representations from different categories, which boosts category discriminability. Both attribute and category prototypes are collaboratively learned in a unified framework, which makes visual representations of DPPN transferable and distinctive. Experiments on four benchmarks prove that DPPN effectively alleviates the domain shift problem in GZSL.

We introduce ViSER, a method for recovering articulated 3D shapes and dense3D trajectories from monocular videos. Previous work on high-quality reconstruction of dynamic 3D shapes typically relies on multiple camera views, strong category-specific priors, or 2D keypoint supervision. We show that none of these are required if one can reliably estimate long-range correspondences in a video, making use of only 2D object masks and two-frame optical flow as inputs. ViSER infers correspondences by matching 2D pixels to a canonical, deformable 3D mesh via video-specific surface embeddings that capture the pixel appearance of each surface point. These embeddings behave as a continuous set of keypoint descriptors defined over the mesh surface, which can be used to establish dense long-range correspondences across pixels. The surface embeddings are implemented as coordinate-based MLPs that are fit to each video via self-supervised losses.Experimental results show that ViSER compares favorably against prior work on challenging videos of humans with loose clothing and unusual poses as well as animals videos from DAVIS and YTVOS. Project page: viser-shape.github.io.

Inverse Reinforcement Learning (IRL) is the problem of finding a reward function which describes observed/known expert behavior. The IRL setting is remarkably useful for automated control, in situations where the reward function is difficult to specify manually or as a means to extract agent preference. In this work, we provide a new IRL algorithm for the continuous state space setting with unknown transition dynamics by modeling the system using a basis of orthonormal functions. Moreover, we provide a proof of correctness and formal guarantees on the sample and time complexity of our algorithm. Finally, we present synthetic experiments to corroborate our theoretical guarantees.

The three-dimensional reconstruction of multiple interacting humans given a monocular image is crucial for the general task of scene understanding, as capturing the subtleties of interaction is often the very reason for taking a picture. Current 3D human reconstruction methods either treat each person independently, ignoring most of the context, or reconstruct people jointly, but cannot recover interactions correctly when people are in close proximity. In this work, we introduce \textbf{REMIPS}, a model for 3D \underline{Re}construction of \underline{M}ultiple \underline{I}nteracting \underline{P}eople under Weak \underline{S}upervision. \textbf{REMIPS} can reconstruct a variable number of people directly from monocular images. At the core of our methodology stands a novel transformer network that combines unordered person tokens (one for each detected human) with positional-encoded tokens from image features patches. We introduce a novel unified model for self- and interpenetration-collisions based on a mesh approximation computed by applying decimation operators. We rely on self-supervised losses for flexibility and generalisation in-the-wild and incorporate self-contact and interaction-contact losses directly into the learning process. With \textbf{REMIPS}, we report state-of-the-art quantitative results on common benchmarks even in cases where no 3D supervision is used. Additionally, qualitative visual results show that our reconstructions are plausible in terms of pose and shape and coherent for challenging images, collected in-the-wild, where people are often interacting.

Adversarial risk quantifies the performance of classifiers on adversarially perturbed data. Numerous definitions of adversarial risk---not all mathematically rigorous and differing subtly in the details---have appeared in the literature. In this paper, we revisit these definitions, make them rigorous, and critically examine their similarities and differences. Our technical tools derive from optimal transport, robust statistics, functional analysis, and game theory. Our contributions include the following: generalizing Strassen’s theorem to the unbalanced optimal transport setting with applications to adversarial classification with unequal priors; showing an equivalence between adversarial robustness and robust hypothesis testing with $\infty$-Wasserstein uncertainty sets; proving the existence of a pure Nash equilibrium in the two-player game between the adversary and the algorithm; and characterizing adversarial risk by the minimum Bayes error between distributions belonging to the $\infty$-Wasserstein uncertainty sets. Our results generalize and deepen recently discovered connections between optimal transport and adversarial robustness and reveal new connections to Choquet capacities and game theory.