NeurIPS 2020 论文列表

Popular Maximum Entropy Inverse Reinforcement Learning approaches require the computation of expected state visitation frequencies for the optimal policy under an estimate of the reward function. This usually requires intermediate value estimation in the inner loop of the algorithm, slowing down convergence considerably. In this work, we introduce a novel class of algorithms that only needs to solve the MDP underlying the demonstrated behavior once to recover the expert policy. This is possible through a formulation that exploits a probabilistic behavior assumption for the demonstrations within the structure of Q-learning. We propose Inverse Action-value Iteration which is able to fully recover an underlying reward of an external agent in closed-form analytically. We further provide an accompanying class of sampling-based variants which do not depend on a model of the environment. We show how to extend this class of algorithms to continuous state-spaces via function approximation and how to estimate a corresponding action-value function, leading to a policy as close as possible to the policy of the external agent, while optionally satisfying a list of predefined hard constraints. We evaluate the resulting algorithms called Inverse Action-value Iteration, Inverse Q-learning and Deep Inverse Q-learning on the Objectworld benchmark, showing a speedup of up to several orders of magnitude compared to (Deep) Max-Entropy algorithms. We further apply Deep Constrained Inverse Q-learning on the task of learning autonomous lane-changes in the open-source simulator SUMO achieving competent driving after training on data corresponding to 30 minutes of demonstrations.

We present a deep imitation learning framework for robotic bimanual manipulation in a continuous state-action space. A core challenge is to generalize the manipulation skills to objects in different locations. We hypothesize that modeling the relational information in the environment can significantly improve generalization. To achieve this, we propose to (i) decompose the multi-modal dynamics into elemental movement primitives, (ii) parameterize each primitive using a recurrent graph neural network to capture interactions, and (iii) integrate a high-level planner that composes primitives sequentially and a low-level controller to combine primitive dynamics and inverse kinematics control. Our model is a deep, hierarchical, modular architecture. Compared to baselines, our model generalizes better and achieves higher success rates on several simulated bimanual robotic manipulation tasks. We open source the code for simulation, data, and models at: https://github.com/Rose-STL-Lab/HDR-IL.

Noninvasive behavioral tracking of animals is crucial for many scientific investigations. Recent transfer learning approaches for behavioral tracking have considerably advanced the state of the art. Typically these methods treat each video frame and each object to be tracked independently. In this work, we improve on these methods (particularly in the regime of few training labels) by leveraging the rich spatiotemporal structures pervasive in behavioral video --- specifically, the spatial statistics imposed by physical constraints (e.g., paw to elbow distance), and the temporal statistics imposed by smoothness from frame to frame. We propose a probabilistic graphical model built on top of deep neural networks, Deep Graph Pose (DGP), to leverage these useful spatial and temporal constraints, and develop an efficient structured variational approach to perform inference in this model. The resulting semi-supervised model exploits both labeled and unlabeled frames to achieve significantly more accurate and robust tracking while requiring users to label fewer training frames. In turn, these tracking improvements enhance performance on downstream applications, including robust unsupervised segmentation of behavioral

Deterministic neural networks (NNs) are increasingly being deployed in safety critical domains, where calibrated, robust, and efficient measures of uncertainty are crucial. In this paper, we propose a novel method for training non-Bayesian NNs to estimate a continuous target as well as its associated evidence in order to learn both aleatoric and epistemic uncertainty. We accomplish this by placing evidential priors over the original Gaussian likelihood function and training the NN to infer the hyperparameters of the evidential distribution. We additionally impose priors during training such that the model is regularized when its predicted evidence is not aligned with the correct output. Our method does not rely on sampling during inference or on out-of-distribution (OOD) examples for training, thus enabling efficient and scalable uncertainty learning. We demonstrate learning well-calibrated measures of uncertainty on various benchmarks, scaling to complex computer vision tasks, as well as robustness to adversarial and OOD test samples.

Predictive modeling often uses black box machine learning methods, such as deep neural networks, to achieve state-of-the-art performance. In scientific domains, the scientist often wishes to discover which features are actually important for making the predictions. These discoveries may lead to costly follow-up experiments and as such it is important that the error rate on discoveries is not too high. Model-X knockoffs enable important features to be discovered with control of the false discovery rate (FDR). However, knockoffs require rich generative models capable of accurately modeling the knockoff features while ensuring they obey the so-called "swap" property. We develop Deep Direct Likelihood Knockoffs (DDLK), which directly minimizes the KL divergence implied by the knockoff swap property. DDLK consists of two stages: it first maximizes the explicit likelihood of the features, then minimizes the KL divergence between the joint distribution of features and knockoffs and any swap between them. To ensure that the generated knockoffs are valid under any possible swap, DDLK uses the Gumbel-Softmax trick to optimize the knockoff generator under the worst-case swap. We find DDLK has higher power than baselines while controlling the false discovery rate on a variety of synthetic and real benchmarks including a task involving the largest COVID-19 health record dataset in the United States.

In this paper, we present a novel classification method called deep diffusion-invariant Wasserstein distributional classification (DeepWDC). DeepWDC represents input data and labels as probability measures to address severe perturbations in input data. It can output the optimal label measure in terms of diffusion invariance, where the label measure is stationary over time and becomes equivalent to a Gaussian measure. Furthermore, DeepWDC minimizes the 2-Wasserstein distance between the optimal label measure and Gaussian measure, which reduces the Wasserstein uncertainty. Experimental results demonstrate that DeepWDC can substantially enhance the accuracy of several baseline deterministic classification methods and outperforms state-of-the-art-methods on 2D and 3D data containing various types of perturbations (e.g., rotations, impulse noise, and down-scaling).

We introduce a new category of generative autoencoders called automodulators. These networks can faithfully reproduce individual real-world input images like regular autoencoders, but also generate a fused sample from an arbitrary combination of several such images, allowing instantaneous "style-mixing" and other new applications. An automodulator decouples the data flow of decoder operations from statistical properties thereof and uses the latent vector to modulate the former by the latter, with a principled approach for mutual disentanglement of decoder layers. Prior work has explored similar decoder architecture with GANs, but their focus has been on random sampling. A corresponding autoencoder could operate on real input images. For the first time, we show how to train such a general-purpose model with sharp outputs in high resolution, using novel training techniques, demonstrated on four image data sets. Besides style-mixing, we show state-of-the-art results in autoencoder comparison, and visual image quality nearly indistinguishable from state-of-the-art GANs. We expect the automodulator variants to become a useful building block for image applications and other data domains.

A central problem in machine learning and statistics is to model joint densities of random variables from data. Copulas are joint cumulative distribution functions with uniform marginal distributions and are used to capture interdependencies in isolation from marginals. Copulas are widely used within statistics, but have not gained traction in the context of modern deep learning. In this paper, we introduce ACNet, a novel differentiable neural network architecture that enforces structural properties and enables one to learn an important class of copulas--Archimedean Copulas. Unlike Generative Adversarial Networks, Variational Autoencoders, or Normalizing Flow methods, which learn either densities or the generative process directly, ACNet learns a generator of the copula, which implicitly defines the cumulative distribution function of a joint distribution. We give a probabilistic interpretation of the network parameters of ACNet and use this to derive a simple but efficient sampling algorithm for the learned copula. Our experiments show that ACNet is able to both approximate common Archimedean Copulas and generate new copulas which may provide better fits to data.

As data-driven predictive models are increasingly used to inform decisions, it has been argued that decision makers should provide explanations that help individuals understand what would have to change for these decisions to be beneficial ones. However, there has been little discussion on the possibility that individuals may use the above counterfactual explanations to invest effort strategically and maximize their chances of receiving a beneficial decision. In this paper, our goal is to find policies and counterfactual explanations that are optimal in terms of utility in such a strategic setting. We first show that, given a pre-defined policy, the problem of finding the optimal set of counterfactual explanations is NP-hard. Then, we show that the corresponding objective is nondecreasing and satisfies submodularity and this allows a standard greedy algorithm to enjoy approximation guarantees. In addition, we further show that the problem of jointly finding both the optimal policy and set of counterfactual explanations reduces to maximizing a non-monotone submodular function. As a result, we can use a recent randomized algorithm to solve the problem, which also offers approximation guarantees. Finally, we demonstrate that, by incorporating a matroid constraint into the problem formulation, we can increase the diversity of the optimal set of counterfactual explanations and incentivize individuals across the whole spectrum of the population to self improve. Experiments on synthetic and real lending and credit card data illustrate our theoretical findings and show that the counterfactual explanations and decision policies found by our algorithms achieve higher utility than several competitive baselines.

To make decisions based on a model fit with auto-encoding variational Bayes (AEVB), practitioners often let the variational distribution serve as a surrogate for the posterior distribution. This approach yields biased estimates of the expected risk, and therefore leads to poor decisions for two reasons. First, the model fit with AEVB may not equal the underlying data distribution. Second, the variational distribution may not equal the posterior distribution under the fitted model. We explore how fitting the variational distribution based on several objective functions other than the ELBO, while continuing to fit the generative model based on the ELBO, affects the quality of downstream decisions. For the probabilistic principal component analysis model, we investigate how importance sampling error, as well as the bias of the model parameter estimates, varies across several approximate posteriors when used as proposal distributions. Our theoretical results suggest that a posterior approximation distinct from the variational distribution should be used for making decisions. Motivated by these theoretical results, we propose learning several approximate proposals for the best model and combining them using multiple importance sampling for decision-making. In addition to toy examples, we present a full-fledged case study of single-cell RNA sequencing. In this challenging instance of multiple hypothesis testing, our proposed approach surpasses the current state of the art.

Decision trees are popular machine learning models that are simple to build and easy to interpret. Even though algorithms to learn decision trees date back to almost 50 years, key properties affecting their generalization error are still weakly bounded. Hence, we revisit binary decision trees on real-valued features from the perspective of partitions of the data. We introduce the notion of partitioning function, and we relate it to the growth function and to the VC dimension. Using this new concept, we are able to find the exact VC dimension of decision stumps, which is given by the largest integer $d$ such that $2\ell \ge \binom{d}{\floor{\frac{d}{2}}}$, where $\ell$ is the number of real-valued features. We provide a recursive expression to bound the partitioning functions, resulting in a upper bound on the growth function of any decision tree structure. This allows us to show that the VC dimension of a binary tree structure with $N$ internal nodes is of order $N \log(N\ell)$. Finally, we elaborate a pruning algorithm based on these results that performs better than the CART algorithm on a number of datasets, with the advantage that no cross-validation is required.

The present contribution deals with decentralized policy evaluation in multi-agent Markov decision processes using temporal-difference (TD) methods with linear function approximation for scalability. The agents cooperate to estimate the value function of such a process by observing continual state transitions of a shared environment over the graph of interconnected nodes (agents), along with locally private rewards. Different from existing consensus-type TD algorithms, the approach here develops a simple decentralized TD tracker by wedding TD learning with gradient tracking techniques. The non-asymptotic properties of the novel TD tracker are established for both independent and identically distributed (i.i.d.) as well as Markovian transitions through a unifying multistep Lyapunov analysis. In contrast to the prior art, the novel algorithm forgoes the limiting error bounds on the number of agents, which endows it with performance comparable to that of centralized TD methods that are the sharpest known to date.

Motivated by decentralized approaches to machine learning, we propose a collaborative Bayesian learning algorithm taking the form of decentralized Langevin dynamics in a non-convex setting. Our analysis show that the initial KL-divergence between the Markov Chain and the target posterior distribution is exponentially decreasing while the error contributions to the overall KL-divergence from the additive noise is decreasing in polynomial time. We further show that the polynomial-term experiences speed-up with number of agents and provide sufficient conditions on the time-varying step-sizes to guarantee convergence to the desired distribution. The performance of the proposed algorithm is evaluated on a wide variety of machine learning tasks. The empirical results show that the performance of individual agents with locally available data is on par with the centralized setting with considerable improvement in the convergence rate.

Decentralized optimization has wide applications in machine learning, signal processing, and control. In this paper, we study the decentralized composite optimization problem with a non-smooth regularization term. Many proximal gradient based decentralized algorithms have been proposed in the past. However, these algorithms do not achieve near optimal computational complexity and communication complexity. In this paper, we propose a new method which establishes the optimal computational complexity and a near optimal communication complexity. Our empirical study shows that the proposed algorithm outperforms existing state-of-the-art algorithms.

We investigate whether post-hoc model explanations are effective for diagnosing model errors--model debugging. In response to the challenge of explaining a model's prediction, a vast array of explanation methods have been proposed. Despite increasing use, it is unclear if they are effective. To start, we categorize \textit{bugs}, based on their source, into: ~\textit{data, model, and test-time} contamination bugs. For several explanation methods, we assess their ability to: detect spurious correlation artifacts (data contamination), diagnose mislabeled training examples (data contamination), differentiate between a (partially) re-initialized model and a trained one (model contamination), and detect out-of-distribution inputs (test-time contamination). We find that the methods tested are able to diagnose a spurious background bug, but not conclusively identify mislabeled training examples. In addition, a class of methods, that modify the back-propagation algorithm are invariant to the higher layer parameters of a deep network; hence, ineffective for diagnosing model contamination. We complement our analysis with a human subject study, and find that subjects fail to identify defective models using attributions, but instead rely, primarily, on model predictions. Taken together, our results provide guidance for practitioners and researchers turning to explanations as tools for model debugging.

In distributed second order optimization, a standard strategy is to average many local estimates, each of which is based on a small sketch or batch of the data. However, the local estimates on each machine are typically biased, relative to the full solution on all of the data, and this can limit the effectiveness of averaging. Here, we introduce a new technique for debiasing the local estimates, which leads to both theoretical and empirical improvements in the convergence rate of distributed second order methods. Our technique has two novel components: (1) modifying standard sketching techniques to obtain what we call a surrogate sketch; and (2) carefully scaling the global regularization parameter for local computations. Our surrogate sketches are based on determinantal point processes, a family of distributions for which the bias of an estimate of the inverse Hessian can be computed exactly. Based on this computation, we show that when the objective being minimized is $l_2$-regularized with parameter $\lambda$ and individual machines are each given a sketch of size $m$, then to eliminate the bias, local estimates should be computed using a shrunk regularization parameter given by $\lambda^\prime=\lambda(1-\frac{d_\lambda}{m})$, where $d_\lambda$ is the $\lambda$-effective dimension of the Hessian (or, for quadratic problems, the data matrix).

Stochastic gradient algorithm is a key ingredient of many machine learning methods, particularly appropriate for large-scale learning. However, a major caveat of large data is their incompleteness. We propose an averaged stochastic gradient algorithm handling missing values in linear models. This approach has the merit to be free from the need of any data distribution modeling and to account for heterogeneous missing proportion. In both streaming and finite-sample settings, we prove that this algorithm achieves convergence rate of $\mathcal{O}(\frac{1}{n})$ at the iteration $n$, the same as without missing values. We show the convergence behavior and the relevance of the algorithm not only on synthetic data but also on real data sets, including those collected from medical register.

We introduce Data Diversification: a simple but effective strategy to boost neural machine translation (NMT) performance. It diversifies the training data by using the predictions of multiple forward and backward models and then merging them with the original dataset on which the final NMT model is trained. Our method is applicable to all NMT models. It does not require extra monolingual data like back-translation, nor does it add more computations and parameters like ensembles of models. Our method achieves state-of-the-art BLEU scores of 30.7 and 43.7 in the WMT'14 English-German and English-French translation tasks, respectively. It also substantially improves on 8 other translation tasks: 4 IWSLT tasks (English-German and English-French) and 4 low-resource translation tasks (English-Nepali and English-Sinhala). We demonstrate that our method is more effective than knowledge distillation and dual learning, it exhibits strong correlation with ensembles of models, and it trades perplexity off for better BLEU score.

Continual Learning has inspired a plethora of approaches and evaluation settings; however, the majority of them overlooks the properties of a practical scenario, where the data stream cannot be shaped as a sequence of tasks and offline training is not viable. We work towards General Continual Learning (GCL), where task boundaries blur and the domain and class distributions shift either gradually or suddenly. We address it through mixing rehearsal with knowledge distillation and regularization; our simple baseline, Dark Experience Replay, matches the network's logits sampled throughout the optimization trajectory, thus promoting consistency with its past. By conducting an extensive analysis on both standard benchmarks and a novel GCL evaluation setting (MNIST-360), we show that such a seemingly simple baseline outperforms consolidated approaches and leverages limited resources. We further explore the generalization capabilities of our objective, showing its regularization being beneficial beyond mere performance.