NeurIPS 2020 论文列表

Learning a stable Linear Dynamical System (LDS) from data involves creating models that both minimize reconstruction error and enforce stability of the learned representation. We propose a novel algorithm for learning stable LDSs. Using a recent characterization of stable matrices, we present an optimization method that ensures stability at every step and iteratively improves the reconstruction error using gradient directions derived in this paper. When applied to LDSs with inputs, our approach---in contrast to current methods for learning stable LDSs---updates both the state and control matrices, expanding the solution space and allowing for models with lower reconstruction error. We apply our algorithm in simulations and experiments to a variety of problems, including learning dynamic textures from image sequences and controlling a robotic manipulator. Compared to existing approaches, our proposed method achieves an \textit{orders-of-magnitude} improvement in reconstruction error and superior results in terms of control performance. In addition, it is \textit{provably} more memory efficient, with an $\mathcal{O}(n^2)$ space complexity compared to $\mathcal{O}(n^4)$ of competing alternatives, thus scaling to higher-dimensional systems when the other methods fail. The code of the proposed algorithm and animations of the results can be found at https://github.com/giorgosmamakoukas/MemoryEfficientStableLDS.

Reinforcement learning with sparse rewards is challenging because an agent can rarely obtain non-zero rewards and hence, gradient-based optimization of parameterized policies can be incremental and slow. Recent work demonstrated that using a memory buffer of previous successful trajectories can result in more effective policies. However, existing methods may overly exploit past successful experiences, which can encourage the agent to adopt sub-optimal and myopic behaviors. In this work, instead of focusing on good experiences with limited diversity, we propose to learn a trajectory-conditioned policy to follow and expand diverse past trajectories from a memory buffer. Our method allows the agent to reach diverse regions in the state space and improve upon the past trajectories to reach new states. We empirically show that our approach significantly outperforms count-based exploration methods (parametric approach) and self-imitation learning (parametric approach with non-parametric memory) on various complex tasks with local optima. In particular, without using expert demonstrations or resetting to arbitrary states, we achieve the state-of-the-art scores under five billion number of frames, on challenging Atari games such as Montezuma’s Revenge and Pitfall.

We are interested in understanding how well Transformer language models (TLMs) can perform reasoning tasks when trained on knowledge encoded in the form of natural language. We investigate their systematic generalization abilities on a logical reasoning task in natural language, which involves reasoning over relationships between entities grounded in first-order logical proofs. Specifically, we perform soft theorem-proving by leveraging TLMs to generate natural language proofs. We test the generated proofs for logical consistency, along with the accuracy of the final inference. We observe length-generalization issues when evaluated on longer-than-trained sequences. However, we observe TLMs improve their generalization performance after being exposed to longer, exhaustive proofs. In addition, we discover that TLMs are able to generalize better using backward-chaining proofs compared to their forward-chaining counterparts, while they find it easier to generate forward chaining proofs. We observe that models that are not trained to generate proofs are better at generalizing to problems based on longer proofs. This suggests that Transformers have efficient internal reasoning strategies that are harder to interpret. These results highlight the systematic generalization behavior of TLMs in the context of logical reasoning, and we believe this work motivates deeper inspection of their underlying reasoning strategies.

We study how robust current ImageNet models are to distribution shifts arising from natural variations in datasets. Most research on robustness focuses on synthetic image perturbations (noise, simulated weather artifacts, adversarial examples, etc.), which leaves open how robustness on synthetic distribution shift relates to distribution shift arising in real data. Informed by an evaluation of 204 ImageNet models in 213 different test conditions, we find that there is often little to no transfer of robustness from current synthetic to natural distribution shift. Moreover, most current techniques provide no robustness to the natural distribution shifts in our testbed. The main exception is training on larger and more diverse datasets, which in multiple cases increases robustness, but is still far from closing the performance gaps. Our results indicate that distribution shifts arising in real data are currently an open research problem.

Adversarial data augmentation has shown promise for training robust deep neural networks against unforeseen data shifts or corruptions. However, it is difficult to define heuristics to generate effective fictitious target distributions containing "hard" adversarial perturbations that are largely different from the source distribution. In this paper, we propose a novel and effective regularization term for adversarial data augmentation. We theoretically derive it from the information bottleneck principle, which results in a maximum-entropy formulation. Intuitively, this regularization term encourages perturbing the underlying source distribution to enlarge predictive uncertainty of the current model, so that the generated "hard" adversarial perturbations can improve the model robustness during training. Experimental results on three standard benchmarks demonstrate that our method consistently outperforms the existing state of the art by a statistically significant margin.

Gaussian processes are an effective model class for learning unknown functions, particularly in settings where accurately representing predictive uncertainty is of key importance. Motivated by applications in the physical sciences, the widely-used Matérn class of Gaussian processes has recently been generalized to model functions whose domains are Riemannian manifolds, by re-expressing said processes as solutions of stochastic partial differential equations. In this work, we propose techniques for computing the kernels of these processes on compact Riemannian manifolds via spectral theory of the Laplace-Beltrami operator in a fully constructive manner, thereby allowing them to be trained via standard scalable techniques such as inducing point methods. We also extend the generalization from the Matérn to the widely-used squared exponential Gaussian process. By allowing Riemannian Matérn Gaussian processes to be trained using well-understood techniques, our work enables their use in mini-batch, online, and non-conjugate settings, and makes them more accessible to machine learning practitioners.

We consider the problem of estimating the input and hidden variables of a stochastic multi-layer neural network from an observation of the output. The hidden variables in each layer are represented as matrices with statistical interactions along both rows as well as columns. This problem applies to matrix imputation, signal recovery via deep generative prior models, multi-task and mixed regression, and learning certain classes of two-layer neural networks. We extend a recently-developed algorithm -- Multi-Layer Vector Approximate Message Passing (ML-VAMP), for this matrix-valued inference problem. It is shown that the performance of the proposed Multi-Layer Matrix VAMP (ML-Mat-VAMP) algorithm can be exactly predicted in a certain random large-system limit, where the dimensions $N\times d$ of the unknown quantities grow as $N\rightarrow\infty$ with $d$ fixed. In the two-layer neural-network learning problem, this scaling corresponds to the case where the number of input features, as well as training samples, grow to infinity but the number of hidden nodes stays fixed. The analysis enables a precise prediction of the parameter and test error of the learning.

Modern large scale datasets are often plagued with missing entries. For tabular data with missing values, a flurry of imputation algorithms solve for a complete matrix which minimizes some penalized reconstruction error. However, almost none of them can estimate the uncertainty of its imputations. This paper pro- poses a probabilistic and scalable framework for missing value imputation with quantified uncertainty. Our model, the Low Rank Gaussian Copula, augments a standard probabilistic model, Probabilistic Principal Component Analysis, with marginal transformations for each column that allow the model to better match the distribution of the data. It naturally handles Boolean, ordinal, and real-valued observations and quantifies the uncertainty in each imputation. The time required to fit the model scales linearly with the number of rows and the number of columns in the dataset. Empirical results show the method yields state-of-the-art imputation accuracy across a wide range of data types, including those with high rank. Our uncertainty measure predicts imputation error well: entries with lower uncertainty do have lower imputation error (on average). Moreover, for real-valued data, the resulting confidence intervals are well-calibrated.

We consider a matrix completion problem that exploits social or item similarity graphs as side information. We develop a universal, parameter-free, and computationally efficient algorithm that starts with hierarchical graph clustering and then iteratively refines estimates both on graph clustering and matrix ratings. Under a hierarchical stochastic block model that well respects practically-relevant social graphs and a low-rank rating matrix model (to be detailed), we demonstrate that our algorithm achieves the information-theoretic limit on the number of observed matrix entries (i.e., optimal sample complexity) that is derived by maximum likelihood estimation together with a lower-bound impossibility result. One consequence of this result is that exploiting the hierarchical structure of social graphs yields a substantial gain in sample complexity relative to the one that simply identifies different groups without resorting to the relational structure across them. We conduct extensive experiments both on synthetic and real-world datasets to corroborate our theoretical results as well as to demonstrate significant performance improvements over other matrix completion algorithms that leverage graph side information.

Modern variational inference (VI) uses stochastic gradients to avoid intractable expectations, enabling large-scale probabilistic inference in complex models. VI posits a family of approximating distributions q and then finds the member of that family that is closest to the exact posterior p. Traditionally, VI algorithms minimize the “exclusive Kullback-Leibler (KL)” KL(q||p), often for computational convenience. Recent research, however, has also focused on the “inclusive KL” KL(p||q), which has good statistical properties that makes it more appropriate for certain inference problems. This paper develops a simple algorithm for reliably minimizing the inclusive KL using stochastic gradients with vanishing bias. This method, which we call Markovian score climbing (MSC), converges to a local optimum of the inclusive KL. It does not suffer from the systematic errors inherent in existing methods, such as Reweighted Wake-Sleep and Neural Adaptive Sequential Monte Carlo, which lead to bias in their final estimates. We illustrate convergence on a toy model and demonstrate the utility of MSC on Bayesian probit regression for classification as well as a stochastic volatility model for financial data.

Boosting is one of the most successful ideas in machine learning, achieving great practical performance with little fine-tuning. The success of boosted classifiers is most often attributed to improvements in margins. The focus on margin explanations was pioneered in the seminal work by Schaphire et al. (1998) and has culminated in the $k$'th margin generalization bound by Gao and Zhou (2013), which was recently proved to be near-tight for some data distributions (Gr\o nlund et al. 2019). In this work, we first demonstrate that the $k$'th margin bound is inadequate in explaining the performance of state-of-the-art gradient boosters. We then explain the short comings of the $k$'th margin bound and prove a stronger and more refined margin-based generalization bound that indeed succeeds in explaining the performance of modern gradient boosters. Finally, we improve upon the recent generalization lower bound by Gr\o nlund et al. (2019).

Sample-based planning is a powerful family of algorithms for generating intelligent behavior from a model of the environment. Generating good candidate actions is critical to the success of sample-based planners, particularly in continuous or large action spaces. Typically, candidate action generation exhausts the action space, uses domain knowledge, or more recently, involves learning a stochastic policy to provide such search guidance. In this paper we explore explicitly learning a candidate action generator by optimizing a novel objective, marginal utility. The marginal utility of an action generator measures the increase in value of an action over previously generated actions. We validate our approach in both curling, a challenging stochastic domain with continuous state and action spaces, and a location game with a discrete but large action space. We show that a generator trained with the marginal utility objective outperforms hand-coded schemes built on substantial domain knowledge, trained stochastic policies, and other natural objectives for generating actions for sampled-based planners.

Statistical analysis of a graph often starts with embedding, the process of representing its nodes as points in space. How to choose the embedding dimension is a nuanced decision in practice, but in theory a notion of true dimension is often available. In spectral embedding, this dimension may be very high. However, this paper shows that existing random graph models, including graphon and other latent position models, predict the data should live near a much lower-dimensional set. One may therefore circumvent the curse of dimensionality by employing methods which exploit hidden manifold structure.

A common problem in neuroscience is to elucidate the collective neural representations of behaviorally important variables such as head direction, spatial location, upcoming movements, or mental spatial transformations. Often, these latent variables are internal constructs not directly accessible to the experimenter. Here, we propose a new probabilistic latent variable model to simultaneously identify the latent state and the way each neuron contributes to its representation in an unsupervised way. In contrast to previous models which assume Euclidean latent spaces, we embrace the fact that latent states often belong to symmetric manifolds such as spheres, tori, or rotation groups of various dimensions. We therefore propose the manifold Gaussian process latent variable model (mGPLVM), where neural responses arise from (i) a shared latent variable living on a specific manifold, and (ii) a set of non-parametric tuning curves determining how each neuron contributes to the representation. Cross-validated comparisons of models with different topologies can be used to distinguish between candidate manifolds, and variational inference enables quantification of uncertainty. We demonstrate the validity of the approach on several synthetic datasets, as well as on calcium recordings from the ellipsoid body of Drosophila melanogaster and extracellular recordings from the mouse anterodorsal thalamic nucleus. These circuits are both known to encode head direction, and mGPLVM correctly recovers the ring topology expected from neural populations representing a single angular variable.

Recent literature has made much progress in understanding \emph{online LQR}: a modern learning-theoretic take on the classical control problem where a learner attempts to optimally control an unknown linear dynamical system with fully observed state, perturbed by i.i.d. Gaussian noise. \iftoggle{nips}{The}{It is now understood that the} optimal regret over time horizon $T$ against the optimal control law scales as $\widetilde{\Theta}(\sqrt{T})$. In this paper, we show that the same regret rate (against a suitable benchmark) is attainable even in the considerably more general non-stochastic control model, where the system is driven by \emph{arbitrary adversarial} noise \citep{agarwal2019online}. We attain the optimal $\widetilde{\mathcal{O}}(\sqrt{T})$ regret when the dynamics are unknown to the learner, and $\mathrm{poly}(\log T)$ regret when known, provided that the cost functions are strongly convex (as in LQR). Our algorithm is based on a novel variant of online Newton step \citep{hazan2007logarithmic}, which adapts to the geometry induced by adversarial disturbances, and our analysis hinges on generic regret bounds for certain structured losses in the OCO-with-memory framework \citep{anava2015online}.

Video object segmentation (VOS) describes the task of segmenting a set of objects in each frame of a video. In the semi-supervised setting, the first mask of each object is provided at test time. Following the one-shot principle, fine-tuning VOS methods train a segmentation model separately on each given object mask. However, recently the VOS community has deemed such a test time optimization and its impact on the test runtime as unfeasible. To mitigate the inefficiencies of previous fine-tuning approaches, we present efficient One-Shot Video Object Segmentation (e-OSVOS). In contrast to most VOS approaches, e-OSVOS decouples the object detection task and predicts only local segmentation masks by applying a modified version of Mask R-CNN. The one-shot test runtime and performance are optimized without a laborious and handcrafted hyperparameter search. To this end, we meta learn the model initialization and learning rates for the test time optimization. To achieve an optimal learning behavior, we predict individual learning rates at a neuron level. % a pair of learning rates for the weights tensor and scalar bias of each neuron. Furthermore, we apply an online adaptation to address the common performance degradation throughout a sequence by continuously fine-tuning the model on previous mask predictions supported by a frame-to-frame bounding box propagation. % through changing online appearance -> online adaptation for free. bounding box propagation. e-OSVOS provides state-of-the-art results on DAVIS 2016, DAVIS 2017 and YouTube-VOS for one-shot fine-tuning methods while reducing the test runtime substantially.

MR images reconstructed from sub-sampled Cartesian data using deep learning techniques show a characteristic banding (sometimes described as streaking), which is particularly strong in low signal-to-noise regions of the reconstructed image. In this work, we propose the use of an adversarial loss that penalizes banding structures without requiring any human annotation. Our technique greatly reduces the appearance of banding, without requiring any additional computation or post-processing at reconstruction time. We report the results of a blind comparison against a strong baseline by a group of expert evaluators (board-certified radiologists), where our approach is ranked superior at banding removal with no statistically significant loss of detail. A reference implementation of our method is available in the supplementary material.

BERT adopts masked language modeling (MLM) for pre-training and is one of the most successful pre-training models. Since BERT neglects dependency among predicted tokens, XLNet introduces permuted language modeling (PLM) for pre-training to address this problem. However, XLNet does not leverage the full position information of a sentence and thus suffers from position discrepancy between pre-training and fine-tuning. In this paper, we propose MPNet, a novel pre-training method that inherits the advantages of BERT and XLNet and avoids their limitations. MPNet leverages the dependency among predicted tokens through permuted language modeling (vs. MLM in BERT), and takes auxiliary position information as input to make the model see a full sentence and thus reducing the position discrepancy (vs. PLM in XLNet). We pre-train MPNet on a large-scale dataset (over 160GB text corpora) and fine-tune on a variety of down-streaming tasks (GLUE, SQuAD, etc). Experimental results show that MPNet outperforms MLM and PLM by a large margin, and achieves better results on these tasks compared with previous state-of-the-art pre-trained methods (e.g., BERT, XLNet, RoBERTa) under the same model setting. We attach the code in the supplemental materials.

In offline reinforcement learning (RL), the goal is to learn a highly rewarding policy based solely on a dataset of historical interactions with the environment. This serves as an extreme test for an agent's ability to effectively use historical data which is known to be critical for efficient RL. Prior work in offline RL has been confined almost exclusively to model-free RL approaches. In this work, we present MOReL, an algorithmic framework for model-based offline RL. This framework consists of two steps: (a) learning a pessimistic MDP using the offline dataset; (b) learning a near-optimal policy in this pessimistic MDP. The design of the pessimistic MDP is such that for any policy, the performance in the real environment is approximately lower-bounded by the performance in the pessimistic MDP. This enables the pessimistic MDP to serve as a good surrogate for purposes of policy evaluation and learning. Theoretically, we show that MOReL is minimax optimal (up to log factors) for offline RL. Empirically, MOReL matches or exceeds state-of-the-art results on widely used offline RL benchmarks. Overall, the modular design of MOReL enables translating advances in its components (for e.g., in model learning, planning etc.) to improvements in offline RL.