ICML 2020 论文列表

We propose a framework for learning neural scene representations directly from images, without 3D supervision. Our key insight is that 3D structure can be imposed by ensuring that the learned representation transforms like a real 3D scene. Specifically, we introduce a loss which enforces equivariance of the scene representation with respect to 3D transformations. Our formulation allows us to infer and render scenes in real time while achieving comparable results to models requiring minutes for inference. In addition, we introduce two challenging new datasets for scene representation and neural rendering, including scenes with complex lighting and backgrounds. Through experiments, we show that our model achieves compelling results on these datasets as well as on standard ShapeNet benchmarks.

Normalizing flows are exact-likelihood generative neural networks which approximately transform samples from a simple prior distribution to samples of the probability distribution of interest. Recent work showed that such generative models can be utilized in statistical mechanics to sample equilibrium states of many-body systems in physics and chemistry. To scale and generalize these results, it is essential that the natural symmetries in the probability density – in physics defined by the invariances of the target potential – are built into the flow. We provide a theoretical sufficient criterion showing that the distribution generated by equivariant normalizing flows is invariant with respect to these symmetries by design. Furthermore, we propose building blocks for flows which preserve symmetries which are usually found in physical/chemical many-body particle systems. Using benchmark systems motivated from molecular physics, we demonstrate that those symmetry preserving flows can provide better generalization capabilities and sampling efficiency.

There is growing interest in studying the languages that emerge when neural agents are jointly trained to solve tasks requiring communication through a discrete channel. We investigate here the information-theoretic complexity of such languages, focusing on the basic two-agent, one-exchange setup. We find that, under common training procedures, the emergent languages are subject to an entropy minimization pressure that has also been detected in human language, whereby the mutual information between the communicating agent’s inputs and the messages is minimized, within the range afforded by the need for successful communication. That is, emergent languages are (nearly) as simple as the task they are developed for allow them to be. This pressure is amplified as we increase communication channel discreteness. Further, we observe that stronger discrete-channel-driven entropy minimization leads to representations with increased robustness to overfitting and adversarial attacks. We conclude by discussing the implications of our findings for the study of natural and artificial communication systems.

There has been recent interest in improving performance of simple models for multiple reasons such as interpretability, robust learning from small data, deployment in memory constrained settings as well as environmental considerations. In this paper, we propose a novel method SRatio that can utilize information from high performing complex models (viz. deep neural networks, boosted trees, random forests) to reweight a training dataset for a potentially low performing simple model of much lower complexity such as a decision tree or a shallow network enhancing its performance. Our method also leverages the per sample hardness estimate of the simple model which is not the case with the prior works which primarily consider the complex model’s confidences/predictions and is thus conceptually novel. Moreover, we generalize and formalize the concept of attaching probes to intermediate layers of a neural network to other commonly used classifiers and incorporate this into our method. The benefit of these contributions is witnessed in the experiments where on 6 UCI datasets and CIFAR-10 we outperform competitors in a majority (16 out of 27) of the cases and tie for best performance in the remaining cases. In fact, in a couple of cases, we even approach the complex model’s performance. We also conduct further experiments to validate assertions and intuitively understand why our method works. Theoretically, we motivate our approach by showing that the weighted loss minimized by simple models using our weighting upper bounds the loss of the complex model.

Creating open-ended algorithms, which generate their own never-ending stream of novel and appropriately challenging learning opportunities, could help to automate and accelerate progress in machine learning. A recent step in this direction is the Paired Open-Ended Trailblazer (POET), an algorithm that generates and solves its own challenges, and allows solutions to goal-switch between challenges to avoid local optima. However, the original POET was unable to demonstrate its full creative potential because of limitations of the algorithm itself and because of external issues including a limited problem space and lack of a universal progress measure. Importantly, both limitations pose impediments not only for POET, but for the pursuit of open-endedness in general. Here we introduce and empirically validate two new innovations to the original algorithm, as well as two external innovations designed to help elucidate its full potential. Together, these four advances enable the most open-ended algorithmic demonstration to date. The algorithmic innovations are (1) a domain-general measure of how meaningfully novel new challenges are, enabling the system to potentially create and solve interesting challenges endlessly, and (2) an efficient heuristic for determining when agents should goal-switch from one problem to another (helping open-ended search better scale). Outside the algorithm itself, to enable a more definitive demonstration of open-endedness, we introduce (3) a novel, more flexible way to encode environmental challenges, and (4) a generic measure of the extent to which a system continues to exhibit open-ended innovation. Enhanced POET produces a diverse range of sophisticated behaviors that solve a wide range of environmental challenges, many of which cannot be solved through other means.

Recently there has been growing interest in modeling sets with exchangeability such as point clouds. A shortcoming of current approaches is that they restrict the cardinality of the sets considered or can only express limited forms of distribution over unobserved data. To overcome these limitations, we introduce Energy-Based Processes (EBPs), which extend energy based models to exchangeable data while allowing neural network parameterizations of the energy function. A key advantage of these models is the ability to express more flexible distributions over sets without restricting their cardinality. We develop an efficient training procedure for EBPs that demonstrates state-of-the-art performance on a variety of tasks such as point cloud generation, classification, denoising, and image completion

We consider the problem of learning high-level controls over the global structure of generated sequences, particularly in the context of symbolic music generation with complex language models. In this work, we present the Transformer autoencoder, which aggregates encodings of the input data across time to obtain a global representation of style from a given performance. We show it is possible to combine this global representation with other temporally distributed embeddings, enabling improved control over the separate aspects of performance style and melody. Empirically, we demonstrate the effectiveness of our method on various music generation tasks on the MAESTRO dataset and a YouTube dataset with 10,000+ hours of piano performances, where we achieve improvements in terms of log-likelihood and mean listening scores as compared to baselines.

One of the most surprising and exciting discoveries in supervised learning was the benefit of overparameterization (i.e. training a very large model) to improving the optimization landscape of a problem, with minimal effect on statistical performance (i.e. generalization). In contrast, unsupervised settings have been under-explored, despite the fact that it was observed that overparameterization can be helpful as early as Dasgupta & Schulman (2007). We perform an empirical study of different aspects of overparameterization in unsupervised learning of latent variable models via synthetic and semi-synthetic experiments. We discuss benefits to different metrics of success (recovering the parameters of the ground-truth model, held-out log-likelihood), sensitivity to variations of the training algorithm, and behavior as the amount of overparameterization increases. We find that across a variety of models (noisy-OR networks, sparse coding, probabilistic context-free grammars) and training algorithms (variational inference, alternating minimization, expectation-maximization), overparameterization can significantly increase the number of ground truth latent variables recovered.

Deep neural networks (DNNs) have shown much empirical success in solving perceptual tasks across various cognitive modalities. While they are only loosely inspired by the biological brain, recent studies report considerable similarities between representations extracted from task-optimized DNNs and neural populations in the brain. DNNs have subsequently become a popular model class to infer computational principles underlying complex cognitive functions, and in turn, they have also emerged as a natural testbed for applying methods originally developed to probe information in neural populations. In this work, we utilize mean-field theoretic manifold analysis, a recent technique from computational neuroscience that connects geometry of feature representations with linear separability of classes, to analyze language representations from large-scale contextual embedding models. We explore representations from different model families (BERT, RoBERTa, GPT, etc.) and find evidence for emergence of linguistic manifolds across layer depth (e.g., manifolds for part-of-speech tags), especially in ambiguous data (i.e, words with multiple part-of-speech tags, or part-of-speech classes including many words). In addition, we find that the emergence of linear separability in these manifolds is driven by a combined reduction of manifolds’ radius, dimensionality and inter-manifold correlations.

This paper proposes a new loss function for linear autoencoders (LAEs) and analytically identifies the structure of the associated loss surface. Optimizing the conventional Mean Square Error (MSE) loss results in a decoder matrix that spans the principal subspace of the sample covariance of the data, but, owing to an invariance that cancels out in the global map, it will fail to identify the exact eigenvectors. We show here that our proposed loss function eliminates this issue, so the decoder converges to the exact ordered unnormalized eigenvectors of the sample covariance matrix. We characterize the full structure of the new loss landscape by establishing an analytical expression for the set of all critical points, showing that it is a subset of critical points of MSE, and that all local minima are still global. Specifically, the invariant global minima under MSE are shown to become saddle points under the new loss. Additionally, the computational complexity of the loss and its gradients are the same as MSE and, thus, the new loss is not only of theoretical importance but is of practical value, e.g., for low-rank approximation.

Probabilistic circuits (PCs) are a promising avenue for probabilistic modeling, as they permit a wide range of exact and efficient inference routines. Recent “deep-learning-style” implementations of PCs strive for a better scalability, but are still difficult to train on real-world data, due to their sparsely connected computational graphs. In this paper, we propose Einsum Networks (EiNets), a novel implementation design for PCs, improving prior art in several regards. At their core, EiNets combine a large number of arithmetic operations in a single monolithic einsum-operation, leading to speedups and memory savings of up to two orders of magnitude, in comparison to previous implementations. As an algorithmic contribution, we show that the implementation of Expectation-Maximization (EM) can be simplified for PCs, by leveraging automatic differentiation. Furthermore, we demonstrate that EiNets scale well to datasets which were previously out of reach, such as SVHN and CelebA, and that they can be used as faithful generative image models.

Gaussian processes are the gold standard for many real-world modeling problems, especially in cases where a model’s success hinges upon its ability to faithfully represent predictive uncertainty. These problems typically exist as parts of larger frameworks, wherein quantities of interest are ultimately defined by integrating over posterior distributions. These quantities are frequently intractable, motivating the use of Monte Carlo methods. Despite substantial progress in scaling up Gaussian processes to large training sets, methods for accurately generating draws from their posterior distributions still scale cubically in the number of test locations. We identify a decomposition of Gaussian processes that naturally lends itself to scalable sampling by separating out the prior from the data. Building off of this factorization, we propose an easy-to-use and general-purpose approach for fast posterior sampling, which seamlessly pairs with sparse approximations to afford scalability both during training and at test time. In a series of experiments designed to test competing sampling schemes’ statistical properties and practical ramifications, we demonstrate how decoupled sample paths accurately represent Gaussian process posteriors at a fraction of the usual cost.

We present a unified framework based on primal-dual stochastic mirror descent for approximately solving infinite-horizon Markov decision processes (MDPs) given a generative model. When applied to an average-reward MDP with $A_{tot}$ total actions and mixing time bound $t_{mix}$ our method computes an $\epsilon$-optimal policy with an expected $\widetilde{O}(t_{mix}^2 A_{tot} \epsilon^{-2})$ samples from the state-transition matrix, removing the ergodicity dependence of prior art. When applied to a $\gamma$-discounted MDP with $A_{tot}$ total actions our method computes an $\epsilon$-optimal policy with an expected $\widetilde{O}((1-\gamma)^{-4} A_{tot} \epsilon^{-2})$ samples, improving over the best-known primal-dual methods while matching the state-of-the-art up to a $(1-\gamma)^{-1}$ factor. Both methods are model-free, update state values and policies simultaneously, and run in time linear in the number of samples taken. We achieve these results through a more general stochastic mirror descent framework for solving bilinear saddle-point problems with simplex and box domains and we demonstrate the flexibility of this framework by providing further applications to constrained MDPs.

We study the problem of learning adversarially robust halfspaces in the distribution-independent setting. In the realizable setting, we provide necessary and sufficient conditions on the adversarial perturbation sets under which halfspaces are efficiently robustly learnable. In the presence of random label noise, we give a simple computationally efficient algorithm for this problem with respect to any $\ell_p$-perturbation.

The true population-level importance of a variable in a prediction task provides useful knowledge about the underlying data-generating mechanism and can help in deciding which measurements to collect in subsequent experiments. Valid statistical inference on this importance is a key component in understanding the population of interest. We present a computationally efficient procedure for estimating and obtaining valid statistical inference on the \textbf{S}hapley \textbf{P}opulation \textbf{V}ariable \textbf{I}mportance \textbf{M}easure (SPVIM). Although the computational complexity of the true SPVIM scales exponentially with the number of variables, we propose an estimator based on randomly sampling only $\Theta(n)$ feature subsets given $n$ observations. We prove that our estimator converges at an asymptotically optimal rate. Moreover, by deriving the asymptotic distribution of our estimator, we construct valid confidence intervals and hypothesis tests. Our procedure has good finite-sample performance in simulations, and for an in-hospital mortality prediction task produces similar variable importance estimates when different machine learning algorithms are applied.

Bayesian neural networks (BNNs) demonstrate promising success in improving the robustness and uncertainty quantification of modern deep learning. However, they generally struggle with underfitting at scale and parameter efficiency. On the other hand, deep ensembles have emerged as alternatives for uncertainty quantification that, while outperforming BNNs on certain problems, also suffer from efficiency issues. It remains unclear how to combine the strengths of these two approaches and remediate their common issues. To tackle this challenge, we propose a rank-1 parameterization of BNNs, where each weight matrix involves only a distribution on a rank-1 subspace. We also revisit the use of mixture approximate posteriors to capture multiple modes, where unlike typical mixtures, this approach admits a significantly smaller memory increase (e.g., only a 0.4% increase for a ResNet-50 mixture of size 10). We perform a systematic empirical study on the choices of prior, variational posterior, and methods to improve training. For ResNet-50 on ImageNet, Wide ResNet 28-10 on CIFAR-10/100, and an RNN on MIMIC-III, rank-1 BNNs achieve state-of-the-art performance across log-likelihood, accuracy, and calibration on the test sets and out-of-distribution variants.

Existing techniques for certifying the robustness of models for discrete data either work only for a small class of models or are general at the expense of efficiency or tightness. Moreover, they do not account for sparsity in the input which, as our findings show, is often essential for obtaining non-trivial guarantees. We propose a model-agnostic certificate based on the randomized smoothing framework which subsumes earlier work and is tight, efficient, and sparsity-aware. Its computational complexity does not depend on the number of discrete categories or the dimension of the input (e.g. the graph size), making it highly scalable. We show the effectiveness of our approach on a wide variety of models, datasets, and tasks – specifically highlighting its use for Graph Neural Networks. So far, obtaining provable guarantees for GNNs has been difficult due to the discrete and non-i.i.d. nature of graph data. Our method can certify any GNN and handles perturbations to both the graph structure and the node attributes.

We demonstrate two new important properties of the 1-path-norm of shallow neural networks. First, despite its non-smoothness and non-convexity it allows a closed form proximal operator which can be efficiently computed, allowing the use of stochastic proximal-gradient-type methods for regularized empirical risk minimization. Second, when the activation functions is differentiable, it provides an upper bound on the Lipschitz constant of the network. Such bound is tighter than the trivial layer-wise product of Lipschitz constants, motivating its use for training networks robust to adversarial perturbations. In practical experiments we illustrate the advantages of using the proximal mapping and we compare the robustness-accuracy trade-off induced by the 1-path-norm, L1-norm and layer-wise constraints on the Lipschitz constant (Parseval networks).

Recent work on policy learning from observational data has highlighted the importance of efficient policy evaluation and has proposed reductions to weighted (cost-sensitive) classification. But, efficient policy evaluation need not yield efficient estimation of policy parameters. We consider the estimation problem given by a weighted surrogate-loss classification with any score function, either direct, inverse-propensity-weighted, or doubly robust. We show that, under a correct specification assumption, the weighted classification formulation need not be efficient for policy parameters. We draw a contrast to actual (possibly weighted) binary classification, where correct specification implies a parametric model, while for policy learning it only implies a semi-parametric model. In light of this, we instead propose an estimation approach based on generalized method of moments, which is efficient for the policy parameters. We propose a particular method based on recent developments on solving moment problems using neural networks and demonstrate the efficiency and regret benefits of this method empirically.