ICLR 2021 论文列表

We present a hierarchical VAE that, for the first time, generates samples quickly $\textit{and}$ outperforms the PixelCNN in log-likelihood on all natural image benchmarks. We begin by observing that, in theory, VAEs can actually represent autoregressive models, as well as faster, better models if they exist, when made sufficiently deep. Despite this, autoregressive models have historically outperformed VAEs in log-likelihood. We test if insufficient depth explains why by scaling a VAE to greater stochastic depth than previously explored and evaluating it CIFAR-10, ImageNet, and FFHQ. In comparison to the PixelCNN, these very deep VAEs achieve higher likelihoods, use fewer parameters, generate samples thousands of times faster, and are more easily applied to high-resolution images. Qualitative studies suggest this is because the VAE learns efficient hierarchical visual representations. We release our source code and models at https://github.com/openai/vdvae.

Policy-Space Response Oracles (PSRO) is a general algorithmic framework for learning policies in multiagent systems by interleaving empirical game analysis with deep reinforcement learning (DRL). At each iteration, DRL is invoked to train a best response to a mixture of opponent policies. The repeated application of DRL poses an expensive computational burden as we look to apply this algorithm to more complex domains. We introduce two variations of PSRO designed to reduce the amount of simulation required during DRL training. Both algorithms modify how PSRO adds new policies to the empirical game, based on learned responses to a single opponent policy. The first, Mixed-Oracles, transfers knowledge from previous iterations of DRL, requiring training only against the opponent's newest policy. The second, Mixed-Opponents, constructs a pure-strategy opponent by mixing existing strategy's action-value estimates, instead of their policies. Learning against a single policy mitigates conflicting experiences on behalf of a learner facing an unobserved distribution of opponents. We empirically demonstrate that these algorithms substantially reduce the amount of simulation during training required by PSRO, while producing equivalent or better solutions to the game.

Transformers are state-of-the-art models for a variety of sequence modeling tasks. At their core is an attention function which models pairwise interactions between the inputs at every timestep. While attention is powerful, it does not scale efficiently to long sequences due to its quadratic time and space complexity in the sequence length. We propose RFA, a linear time and space attention that uses random feature methods to approximate the softmax function, and explore its application in transformers. RFA can be used as a drop-in replacement for conventional softmax attention and offers a straightforward way of learning with recency bias through an optional gating mechanism. Experiments on language modeling and machine translation demonstrate that RFA achieves similar or better performance compared to strong transformer baselines. In the machine translation experiment, RFA decodes twice as fast as a vanilla transformer. Compared to existing efficient transformer variants, RFA is competitive in terms of both accuracy and efficiency on three long text classification datasets. Our analysis shows that RFA’s efficiency gains are especially notable on long sequences, suggesting that RFA will be particularly useful in tasks that require working with large inputs, fast decoding speed, or low memory footprints.

Convolutional Neural Networks (CNNs) have advanced existing medical systems for automatic disease diagnosis. However, a threat to these systems arises that adversarial attacks make CNNs vulnerable. Inaccurate diagnosis results make a negative influence on human healthcare. There is a need to investigate potential adversarial attacks to robustify deep medical diagnosis systems. On the other side, there are several modalities of medical images (e.g., CT, fundus, and endoscopic image) of which each type is significantly different from others. It is more challenging to generate adversarial perturbations for different types of medical images. In this paper, we propose an image-based medical adversarial attack method to consistently produce adversarial perturbations on medical images. The objective function of our method consists of a loss deviation term and a loss stabilization term. The loss deviation term increases the divergence between the CNN prediction of an adversarial example and its ground truth label. Meanwhile, the loss stabilization term ensures similar CNN predictions of this example and its smoothed input. From the perspective of the whole iterations for perturbation generation, the proposed loss stabilization term exhaustively searches the perturbation space to smooth the single spot for local optimum escape. We further analyze the KL-divergence of the proposed loss function and find that the loss stabilization term makes the perturbations updated towards a fixed objective spot while deviating from the ground truth. This stabilization ensures the proposed medical attack effective for different types of medical images while producing perturbations in small variance. Experiments on several medical image analysis benchmarks including the recent COVID-19 dataset show the stability of the proposed method.

Sliced-Wasserstein distance (SW) and its variant, Max Sliced-Wasserstein distance (Max-SW), have been used widely in the recent years due to their fast computation and scalability even when the probability measures lie in a very high dimensional space. However, SW requires many unnecessary projection samples to approximate its value while Max-SW only uses the most important projection, which ignores the information of other useful directions. In order to account for these weaknesses, we propose a novel distance, named Distributional Sliced-Wasserstein distance (DSW), that finds an optimal distribution over projections that can balance between exploring distinctive projecting directions and the informativeness of projections themselves. We show that the DSW is a generalization of Max-SW, and it can be computed efficiently by searching for the optimal push-forward measure over a set of probability measures over the unit sphere satisfying certain regularizing constraints that favor distinct directions. Finally, we conduct extensive experiments with large-scale datasets to demonstrate the favorable performances of the proposed distances over the previous sliced-based distances in generative modeling applications.

Recent work has highlighted several advantages of enforcing orthogonality in the weight layers of deep networks, such as maintaining the stability of activations, preserving gradient norms, and enhancing adversarial robustness by enforcing low Lipschitz constants. Although numerous methods exist for enforcing the orthogonality of fully-connected layers, those for convolutional layers are more heuristic in nature, often focusing on penalty methods or limited classes of convolutions. In this work, we propose and evaluate an alternative approach to directly parameterize convolutional layers that are constrained to be orthogonal. Specifically, we propose to apply the Cayley transform to a skew-symmetric convolution in the Fourier domain, so that the inverse convolution needed by the Cayley transform can be computed efficiently. We compare our method to previous Lipschitz-constrained and orthogonal convolutional layers and show that it indeed preserves orthogonality to a high degree even for large convolutions. Applied to the problem of certified adversarial robustness, we show that networks incorporating the layer outperform existing deterministic methods for certified defense against $\ell_2$-norm-bounded adversaries, while scaling to larger architectures than previously investigated. Code is available at https://github.com/locuslab/orthogonal-convolutions.

We study the problem of how to construct a set of policies that can be composed together to solve a collection of reinforcement learning tasks. Each task is a different reward function defined as a linear combination of known features. We consider a specific class of policy compositions which we call set improving policies (SIPs): given a set of policies and a set of tasks, a SIP is any composition of the former whose performance is at least as good as that of its constituents across all the tasks. We focus on the most conservative instantiation of SIPs, set-max policies (SMPs), so our analysis extends to any SIP. This includes known policy-composition operators like generalized policy improvement. Our main contribution is an algorithm that builds a set of policies in order to maximize the worst-case performance of the resulting SMP on the set of tasks. The algorithm works by successively adding new policies to the set. We show that the worst-case performance of the resulting SMP strictly improves at each iteration, and the algorithm only stops when there does not exist a policy that leads to improved performance. We empirically evaluate our algorithm on a grid world and also on a set of domains from the DeepMind control suite. We confirm our theoretical results regarding the monotonically improving performance of our algorithm. Interestingly, we also show empirically that the sets of policies computed by the algorithm are diverse, leading to different trajectories in the grid world and very distinct locomotion skills in the control suite.

Reinforcement learning has been shown to be highly successful at many challenging tasks. However, success heavily relies on well-shaped rewards. Intrinsically motivated RL attempts to remove this constraint by defining an intrinsic reward function. Motivated by the self-consciousness concept in psychology, we make a natural assumption that the agent knows what constitutes itself, and propose a new intrinsic objective that encourages the agent to have maximum control on the environment. We mathematically formalize this reward as the mutual information between the agent state and the surrounding state under the current agent policy. With this new intrinsic motivation, we are able to outperform previous methods, including being able to complete the pick-and-place task for the first time without using any task reward. A video showing experimental results is available at https://youtu.be/AUCwc9RThpk.

Recently, Neural Topic Models (NTMs) inspired by variational autoencoders have obtained increasingly research interest due to their promising results on text analysis. However, it is usually hard for existing NTMs to achieve good document representation and coherent/diverse topics at the same time. Moreover, they often degrade their performance severely on short documents. The requirement of reparameterisation could also comprise their training quality and model flexibility. To address these shortcomings, we present a new neural topic model via the theory of optimal transport (OT). Specifically, we propose to learn the topic distribution of a document by directly minimising its OT distance to the document's word distributions. Importantly, the cost matrix of the OT distance models the weights between topics and words, which is constructed by the distances between topics and words in an embedding space. Our proposed model can be trained efficiently with a differentiable loss. Extensive experiments show that our framework significantly outperforms the state-of-the-art NTMs on discovering more coherent and diverse topics and deriving better document representations for both regular and short texts.

Learning disentangled representations leads to interpretable models and facilitates data generation with style transfer, which has been extensively studied on static data such as images in an unsupervised learning framework. However, only a few works have explored unsupervised disentangled sequential representation learning due to challenges of generating sequential data. In this paper, we propose recurrent Wasserstein Autoencoder (R-WAE), a new framework for generative modeling of sequential data. R-WAE disentangles the representation of an input sequence into static and dynamic factors (i.e., time-invariant and time-varying parts). Our theoretical analysis shows that, R-WAE minimizes an upper bound of a penalized form of the Wasserstein distance between model distribution and sequential data distribution, and simultaneously maximizes the mutual information between input data and different disentangled latent factors, respectively. This is superior to (recurrent) VAE which does not explicitly enforce mutual information maximization between input data and disentangled latent representations. When the number of actions in sequential data is available as weak supervision information, R-WAE is extended to learn a categorical latent representation of actions to improve its disentanglement. Experiments on a variety of datasets show that our models outperform other baselines with the same settings in terms of disentanglement and unconditional video generation both quantitatively and qualitatively.

The universal approximation property of width-bounded networks has been studied as a dual of classical universal approximation results on depth-bounded networks. However, the critical width enabling the universal approximation has not been exactly characterized in terms of the input dimension $d_x$ and the output dimension $d_y$. In this work, we provide the first definitive result in this direction for networks using the ReLU activation functions: The minimum width required for the universal approximation of the $L^p$ functions is exactly $\max\{d_x+1,d_y\}$. We also prove that the same conclusion does not hold for the uniform approximation with ReLU, but does hold with an additional threshold activation function. Our proof technique can be also used to derive a tighter upper bound on the minimum width required for the universal approximation using networks with general activation functions.

The embeddings from CNNs pretrained on Imagenet classification are de-facto standard image representations for assessing GANs via FID, Precision and Recall measures. Despite broad previous criticism of their usage for non-Imagenet domains, these embeddings are still the top choice in most of the GAN literature. In this paper, we advocate the usage of the state-of-the-art self-supervised representations to evaluate GANs on the established non-Imagenet benchmarks. These representations, typically obtained via contrastive learning, are shown to provide better transfer to new tasks and domains, therefore, can serve as more universal embeddings of natural images. With extensive comparison of the recent GANs on the common datasets, we show that self-supervised representations produce a more reasonable ranking of models in terms of FID/Precision/Recall, while the ranking with classification-pretrained embeddings often can be misleading.

Adiabatic quantum computation is a form of computation that acts by slowly interpolating a quantum system between an easy to prepare initial state and a final state that represents a solution to a given computational problem. The choice of the interpolation schedule is critical to the performance: if at a certain time point, the evolution is too rapid, the system has a high probability to transfer to a higher energy state, which does not represent a solution to the problem. On the other hand, an evolution that is too slow leads to a loss of computation time and increases the probability of failure due to decoherence. In this work, we train deep neural models to produce optimal schedules that are conditioned on the problem at hand. We consider two types of problem representation: the Hamiltonian form, and the Quadratic Unconstrained Binary Optimization (QUBO) form. A novel loss function that scores schedules according to their approximated success probability is introduced. We benchmark our approach on random QUBO problems, Grover search, 3-SAT, and MAX-CUT problems and show that our approach outperforms, by a sizable margin, the linear schedules as well as alternative approaches that were very recently proposed.

Recent state-of-the-art methods for neural architecture search (NAS) exploit gradient-based optimization by relaxing the problem into continuous optimization over architectures and shared-weights, a noisy process that remains poorly understood. We argue for the study of single-level empirical risk minimization to understand NAS with weight-sharing, reducing the design of NAS methods to devising optimizers and regularizers that can quickly obtain high-quality solutions to this problem. Invoking the theory of mirror descent, we present a geometry-aware framework that exploits the underlying structure of this optimization to return sparse architectural parameters, leading to simple yet novel algorithms that enjoy fast convergence guarantees and achieve state-of-the-art accuracy on the latest NAS benchmarks in computer vision. Notably, we exceed the best published results for both CIFAR and ImageNet on both the DARTS search space and NAS-Bench-201; on the latter we achieve near-oracle-optimal performance on CIFAR-10 and CIFAR-100. Together, our theory and experiments demonstrate a principled way to co-design optimizers and continuous relaxations of discrete NAS search spaces.

Contrastive divergence (CD) learning is a classical method for fitting unnormalized statistical models to data samples. Despite its wide-spread use, the convergence properties of this algorithm are still not well understood. The main source of difficulty is an unjustified approximation which has been used to derive the gradient of the loss. In this paper, we present an alternative derivation of CD that does not require any approximation and sheds new light on the objective that is actually being optimized by the algorithm. Specifically, we show that CD is an adversarial learning procedure, where a discriminator attempts to classify whether a Markov chain generated from the model has been time-reversed. Thus, although predating generative adversarial networks (GANs) by more than a decade, CD is, in fact, closely related to these techniques. Our derivation settles well with previous observations, which have concluded that CD's update steps cannot be expressed as the gradients of any fixed objective function. In addition, as a byproduct, our derivation reveals a simple correction that can be used as an alternative to Metropolis-Hastings rejection, which is required when the underlying Markov chain is inexact (e.g., when using Langevin dynamics with a large step).

For many tasks, the reward function is inaccessible to introspection or too complex to be specified procedurally, and must instead be learned from user data. Prior work has evaluated learned reward functions by evaluating policies optimized for the learned reward. However, this method cannot distinguish between the learned reward function failing to reflect user preferences and the policy optimization process failing to optimize the learned reward. Moreover, this method can only tell us about behavior in the evaluation environment, but the reward may incentivize very different behavior in even a slightly different deployment environment. To address these problems, we introduce the Equivalent-Policy Invariant Comparison (EPIC) distance to quantify the difference between two reward functions directly, without a policy optimization step. We prove EPIC is invariant on an equivalence class of reward functions that always induce the same optimal policy. Furthermore, we find EPIC can be efficiently approximated and is more robust than baselines to the choice of coverage distribution. Finally, we show that EPIC distance bounds the regret of optimal policies even under different transition dynamics, and we confirm empirically that it predicts policy training success. Our source code is available at https://github.com/HumanCompatibleAI/evaluating-rewards.

Safe and reliable electricity transmission in power grids is crucial for modern society. It is thus quite natural that there has been a growing interest in the automatic management of power grids, exemplified by the Learning to Run a Power Network Challenge (L2RPN), modeling the problem as a reinforcement learning (RL) task. However, it is highly challenging to manage a real-world scale power grid, mostly due to the massive scale of its state and action space. In this paper, we present an off-policy actor-critic approach that effectively tackles the unique challenges in power grid management by RL, adopting the hierarchical policy together with the afterstate representation. Our agent ranked first in the latest challenge (L2RPN WCCI 2020), being able to avoid disastrous situations while maintaining the highest level of operational efficiency in every test scenarios. This paper provides a formal description of the algorithmic aspect of our approach, as well as further experimental studies on diverse power grids.

A key aspect of human intelligence is the ability to infer abstract rules directly from high-dimensional sensory data, and to do so given only a limited amount of training experience. Deep neural network algorithms have proven to be a powerful tool for learning directly from high-dimensional data, but currently lack this capacity for data-efficient induction of abstract rules, leading some to argue that symbol-processing mechanisms will be necessary to account for this capacity. In this work, we take a step toward bridging this gap by introducing the Emergent Symbol Binding Network (ESBN), a recurrent network augmented with an external memory that enables a form of variable-binding and indirection. This binding mechanism allows symbol-like representations to emerge through the learning process without the need to explicitly incorporate symbol-processing machinery, enabling the ESBN to learn rules in a manner that is abstracted away from the particular entities to which those rules apply. Across a series of tasks, we show that this architecture displays nearly perfect generalization of learned rules to novel entities given only a limited number of training examples, and outperforms a number of other competitive neural network architectures.

In the segmentation of fine-scale structures from natural and biomedical images, per-pixel accuracy is not the only metric of concern. Topological correctness, such as vessel connectivity and membrane closure, is crucial for downstream analysis tasks. In this paper, we propose a new approach to train deep image segmentation networks for better topological accuracy. In particular, leveraging the power of discrete Morse theory (DMT), we identify global structures, including 1D skeletons and 2D patches, which are important for topological accuracy. Trained with a novel loss based on these global structures, the network performance is significantly improved especially near topologically challenging locations (such as weak spots of connections and membranes). On diverse datasets, our method achieves superior performance on both the DICE score and topological metrics.