ICLR 2021 论文列表

The design of deep graph models still remains to be investigated and the crucial part is how to explore and exploit the knowledge from different hops of neighbors in an efficient way. In this paper, we propose a novel RNN-like deep graph neural network architecture by incorporating AdaBoost into the computation of network; and the proposed graph convolutional network called AdaGCN~(Adaboosting Graph Convolutional Network) has the ability to efficiently extract knowledge from high-order neighbors of current nodes and then integrates knowledge from different hops of neighbors into the network in an Adaboost way. Different from other graph neural networks that directly stack many graph convolution layers, AdaGCN shares the same base neural network architecture among all ``layers'' and is recursively optimized, which is similar to an RNN. Besides, We also theoretically established the connection between AdaGCN and existing graph convolutional methods, presenting the benefits of our proposal. Finally, extensive experiments demonstrate the consistent state-of-the-art prediction performance on graphs across different label rates and the computational advantage of our approach AdaGCN~\footnote{Code is available at \url{https://github.com/datake/AdaGCN}.}.

A key challenge for deploying deep neural networks (DNNs) in safety critical settings is the need to provide rigorous ways to quantify their uncertainty. In this paper, we propose a novel algorithm for constructing predicted classification confidences for DNNs that comes with provable correctness guarantees. Our approach uses Clopper-Pearson confidence intervals for the Binomial distribution in conjunction with the histogram binning approach to calibrated prediction. In addition, we demonstrate how our predicted confidences can be used to enable downstream guarantees in two settings: (i) fast DNN inference, where we demonstrate how to compose a fast but inaccurate DNN with an accurate but slow DNN in a rigorous way to improve performance without sacrificing accuracy, and (ii) safe planning, where we guarantee safety when using a DNN to predict whether a given action is safe based on visual observations. In our experiments, we demonstrate that our approach can be used to provide guarantees for state-of-the-art DNNs.

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.

Feature visualizations such as synthetic maximally activating images are a widely used explanation method to better understand the information processing of convolutional neural networks (CNNs). At the same time, there are concerns that these visualizations might not accurately represent CNNs' inner workings. Here, we measure how much extremely activating images help humans to predict CNN activations. Using a well-controlled psychophysical paradigm, we compare the informativeness of synthetic images by Olah et al. (2017) with a simple baseline visualization, namely exemplary natural images that also strongly activate a specific feature map. Given either synthetic or natural reference images, human participants choose which of two query images leads to strong positive activation. The experiment is designed to maximize participants' performance, and is the first to probe intermediate instead of final layer representations. We find that synthetic images indeed provide helpful information about feature map activations ($82\pm4\%$ accuracy; chance would be $50\%$). However, natural images --- originally intended to be a baseline --- outperform these synthetic images by a wide margin ($92\pm2\%$). Additionally, participants are faster and more confident for natural images, whereas subjective impressions about the interpretability of the feature visualizations by Olah et al. (2017) are mixed. The higher informativeness of natural images holds across most layers, for both expert and lay participants as well as for hand- and randomly-picked feature visualizations. Even if only a single reference image is given, synthetic images provide less information than natural images ($65\pm5\%$ vs. $73\pm4\%$). In summary, synthetic images from a popular feature visualization method are significantly less informative for assessing CNN activations than natural images. We argue that visualization methods should improve over this simple baseline.

At the heart of many robotics problems is the challenge of learning correspondences across domains. For instance, imitation learning requires obtaining correspondence between humans and robots; sim-to-real requires correspondence between physics simulators and real hardware; transfer learning requires correspondences between different robot environments. In this paper, we propose to learn correspondence across such domains emphasizing on differing modalities (vision and internal state), physics parameters (mass and friction), and morphologies (number of limbs). Importantly, correspondences are learned using unpaired and randomly collected data from the two domains. We propose dynamics cycles that align dynamic robotic behavior across two domains using a cycle consistency constraint. Once this correspondence is found, we can directly transfer the policy trained on one domain to the other, without needing any additional fine-tuning on the second domain. We perform experiments across a variety of problem domains, both in simulation and on real robots. Our framework is able to align uncalibrated monocular video of a real robot arm to dynamic state-action trajectories of a simulated arm without paired data. Video demonstrations of our results are available at: https://sites.google.com/view/cycledynamics .

Action and observation delays commonly occur in many Reinforcement Learning applications, such as remote control scenarios. We study the anatomy of randomly delayed environments, and show that partially resampling trajectory fragments in hindsight allows for off-policy multi-step value estimation. We apply this principle to derive Delay-Correcting Actor-Critic (DCAC), an algorithm based on Soft Actor-Critic with significantly better performance in environments with delays. This is shown theoretically and also demonstrated practically on a delay-augmented version of the MuJoCo continuous control benchmark.

Deep object recognition models have been very successful over benchmark datasets such as ImageNet. How accurate and robust are they to distribution shifts arising from natural and synthetic variations in datasets? Prior research on this problem has primarily focused on ImageNet variations (e.g., ImageNetV2, ImageNet-A). To avoid potential inherited biases in these studies, we take a different approach. Specifically, we reanalyze the ObjectNet dataset recently proposed by Barbu et al. containing objects in daily life situations. They showed a dramatic performance drop of the state of the art object recognition models on this dataset. Due to the importance and implications of their results regarding the generalization ability of deep models, we take a second look at their analysis. We find that applying deep models to the isolated objects, rather than the entire scene as is done in the original paper, results in around 20-30% performance improvement. Relative to the numbers reported in Barbu et al., around 10-15% of the performance loss is recovered, without any test time data augmentation. Despite this gain, however, we conclude that deep models still suffer drastically on the ObjectNet dataset. We also investigate the robustness of models against synthetic image perturbations such as geometric transformations (e.g., scale, rotation, translation), natural image distortions (e.g., impulse noise, blur) as well as adversarial attacks (e.g., FGSM and PGD-5). Our results indicate that limiting the object area as much as possible (i.e., from the entire image to the bounding box to the segmentation mask) leads to consistent improvement in accuracy and robustness. Finally, through a qualitative analysis of ObjectNet data, we find that i) a large number of images in this dataset are hard to recognize even for humans, and ii) easy (hard) samples for models match with easy (hard) samples for humans. Overall, our analysis shows that ObjecNet is still a challenging test platform that can be used to measure the generalization ability of models. The code and data are available in [masked due to blind review].

Neural Ordinary Differential Equations (NODEs), a framework of continuous-depth neural networks, have been widely applied, showing exceptional efficacy in coping with some representative datasets. Recently, an augmented framework has been successfully developed for conquering some limitations emergent in application of the original framework. Here we propose a new class of continuous-depth neural networks with delay, named as Neural Delay Differential Equations (NDDEs), and, for computing the corresponding gradients, we use the adjoint sensitivity method to obtain the delayed dynamics of the adjoint. Since the differential equations with delays are usually seen as dynamical systems of infinite dimension possessing more fruitful dynamics, the NDDEs, compared to the NODEs, own a stronger capacity of nonlinear representations. Indeed, we analytically validate that the NDDEs are of universal approximators, and further articulate an extension of the NDDEs, where the initial function of the NDDEs is supposed to satisfy ODEs. More importantly, we use several illustrative examples to demonstrate the outstanding capacities of the NDDEs and the NDDEs with ODEs' initial value. More precisely, (1) we successfully model the delayed dynamics where the trajectories in the lower-dimensional phase space could be mutually intersected, while the traditional NODEs without any argumentation are not directly applicable for such modeling, and (2) we achieve lower loss and higher accuracy not only for the data produced synthetically by complex models but also for the real-world image datasets, i.e., CIFAR10, MNIST and SVHN. Our results on the NDDEs reveal that appropriately articulating the elements of dynamical systems into the network design is truly beneficial to promoting the network performance.

A well-defined benchmark is essential for measuring and accelerating research progress of machine learning models. In this paper, we present a benchmark for high-level mathematical reasoning and study the reasoning capabilities of neural sequence-to-sequence models. We build a non-synthetic dataset from the largest repository of proofs written by human experts in a theorem prover. The dataset has a broad coverage of undergraduate and research-level mathematical and computer science theorems. In our defined task, a model is required to fill in a missing intermediate proposition given surrounding proofs. This task provides a starting point for the long-term goal of having machines generate human-readable proofs automatically. Our experiments and analysis reveal that while the task is challenging, neural models can capture non-trivial mathematical reasoning. We further design a hierarchical transformer that outperforms the transformer baseline.

Streaming automatic speech recognition (ASR) aims to emit each hypothesized word as quickly and accurately as possible, while full-context ASR waits for the completion of a full speech utterance before emitting completed hypotheses. In this work, we propose a unified framework, Dual-mode ASR, to train a single end-to-end ASR model with shared weights for both streaming and full-context speech recognition. We show that the latency and accuracy of streaming ASR significantly benefit from weight sharing and joint training of full-context ASR, especially with inplace knowledge distillation during the training. The Dual-mode ASR framework can be applied to recent state-of-the-art convolution-based and transformer-based ASR networks. We present extensive experiments with two state-of-the-art ASR networks, ContextNet and Conformer, on two datasets, a widely used public dataset LibriSpeech and a large-scale dataset MultiDomain. Experiments and ablation studies demonstrate that Dual-mode ASR not only simplifies the workflow of training and deploying streaming and full-context ASR models, but also significantly improves both emission latency and recognition accuracy of streaming ASR. With Dual-mode ASR, we achieve new state-of-the-art streaming ASR results on both LibriSpeech and MultiDomain in terms of accuracy and latency.

Creating noise from data is easy; creating data from noise is generative modeling. We present a stochastic differential equation (SDE) that smoothly transforms a complex data distribution to a known prior distribution by slowly injecting noise, and a corresponding reverse-time SDE that transforms the prior distribution back into the data distribution by slowly removing the noise. Crucially, the reverse-time SDE depends only on the time-dependent gradient field (a.k.a., score) of the perturbed data distribution. By leveraging advances in score-based generative modeling, we can accurately estimate these scores with neural networks, and use numerical SDE solvers to generate samples. We show that this framework encapsulates previous approaches in score-based generative modeling and diffusion probabilistic modeling, allowing for new sampling procedures and new modeling capabilities. In particular, we introduce a predictor-corrector framework to correct errors in the evolution of the discretized reverse-time SDE. We also derive an equivalent neural ODE that samples from the same distribution as the SDE, but additionally enables exact likelihood computation, and improved sampling efficiency. In addition, we provide a new way to solve inverse problems with score-based models, as demonstrated with experiments on class-conditional generation, image inpainting, and colorization. Combined with multiple architectural improvements, we achieve record-breaking performance for unconditional image generation on CIFAR-10 with an Inception score of 9.89 and FID of 2.20, a competitive likelihood of 2.99 bits/dim, and demonstrate high fidelity generation of $1024\times 1024$ images for the first time from a score-based generative model.

Knowing how the effects of directed actions generalise to new situations (e.g. moving North, South, East and West, or turning left, right, etc.) is key to rapid generalisation across new situations. Markovian tasks can be characterised by a state space and a transition matrix and recent work has proposed that neural grid codes provide an efficient representation of the state space, as eigenvectors of a transition matrix reflecting diffusion across states, that allows efficient prediction of future state distributions. Here we extend the eigenbasis prediction model, utilising tools from Fourier analysis, to prediction over arbitrary translation-invariant directed transition structures (i.e. displacement and diffusion), showing that a single set of eigenvectors can support predictions over arbitrary directed actions via action-specific eigenvalues. We show how to define a "sense of direction" to combine actions to reach a target state (ignoring task-specific deviations from translation-invariance), and demonstrate that adding the Fourier representations to a deep Q network aids policy learning in continuous control tasks. We show the equivalence between the generalised prediction framework and traditional models of grid cell firing driven by self-motion to perform path integration, either using oscillatory interference (via Fourier components as velocity-controlled oscillators) or continuous attractor networks (via analysis of the update dynamics). We thus provide a unifying framework for the role of the grid system in predictive planning, sense of direction and path integration: supporting generalisable inference over directed actions across different tasks.

This work proposes the continuous conditional generative adversarial network (CcGAN), the first generative model for image generation conditional on continuous, scalar conditions (termed regression labels). Existing conditional GANs (cGANs) are mainly designed for categorical conditions (e.g., class labels); conditioning on a continuous label is mathematically distinct and raises two fundamental problems: (P1) Since there may be very few (even zero) real images for some regression labels, minimizing existing empirical versions of cGAN losses (a.k.a. empirical cGAN losses) often fails in practice; (P2) Since regression labels are scalar and infinitely many, conventional label input methods (e.g., combining a hidden map of the generator/discriminator with a one-hot encoded label) are not applicable. The proposed CcGAN solves the above problems, respectively, by (S1) reformulating existing empirical cGAN losses to be appropriate for the continuous scenario; and (S2) proposing a novel method to incorporate regression labels into the generator and the discriminator. The reformulation in (S1) leads to two novel empirical discriminator losses, termed the hard vicinal discriminator loss (HVDL) and the soft vicinal discriminator loss (SVDL) respectively, and a novel empirical generator loss. The error bounds of a discriminator trained with HVDL and SVDL are derived under mild assumptions in this work. A new benchmark dataset, RC-49, is also proposed for generative image modeling conditional on regression labels. Our experiments on the Circular 2-D Gaussians, RC-49, and UTKFace datasets show that CcGAN is able to generate diverse, high-quality samples from the image distribution conditional on a given regression label. Moreover, in these experiments, CcGAN substantially outperforms cGAN both visually and quantitatively.

Generating synthetic time-series data is crucial in various application domains, such as medical prognosis, wherein research is hamstrung by the lack of access to data due to concerns over privacy. Most of the recently proposed methods for generating synthetic time-series rely on implicit likelihood modeling using generative adversarial networks (GANs)—but such models can be difficult to train, and may jeopardize privacy by “memorizing” temporal patterns in training data. In this paper, we propose an explicit likelihood model based on a novel class of normalizing flows that view time-series data in the frequency-domain rather than the time-domain. The proposed flow, dubbed a Fourier flow, uses a discrete Fourier transform (DFT) to convert variable-length time-series with arbitrary sampling periods into fixed-length spectral representations, then applies a (data-dependent) spectral filter to the frequency-transformed time-series. We show that, by virtue of the DFT analytic properties, the Jacobian determinants and inverse mapping for the Fourier flow can be computed efficiently in linearithmic time, without imposing explicit structural constraints as in existing flows such as NICE (Dinh et al. (2014)), RealNVP (Dinh et al. (2016)) and GLOW (Kingma & Dhariwal (2018)). Experiments show that Fourier flows perform competitively compared to state-of-the-art baselines.

Although neural module networks have an architectural bias towards compositionality, they require gold standard layouts to generalize systematically in practice. When instead learning layouts and modules jointly, compositionality does not arise automatically and an explicit pressure is necessary for the emergence of layouts exhibiting the right structure. We propose to address this problem using iterated learning, a cognitive science theory of the emergence of compositional languages in nature that has primarily been applied to simple referential games in machine learning. Considering the layouts of module networks as samples from an emergent language, we use iterated learning to encourage the development of structure within this language. We show that the resulting layouts support systematic generalization in neural agents solving the more complex task of visual question-answering. Our regularized iterated learning method can outperform baselines without iterated learning on SHAPES-SyGeT (SHAPES Systematic Generalization Test), a new split of the SHAPES dataset we introduce to evaluate systematic generalization, and on CLOSURE, an extension of CLEVR also designed to test systematic generalization. We demonstrate superior performance in recovering ground-truth compositional program structure with limited supervision on both SHAPES-SyGeT and CLEVR.

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 adversary-resilient stochastic distributed optimization, in which $m$ machines can independently compute stochastic gradients, and cooperate to jointly optimize over their local objective functions. However, an $\alpha$-fraction of the machines are Byzantine, in that they may behave in arbitrary, adversarial ways. We consider a variant of this procedure in the challenging non-convex case. Our main result is a new algorithm SafeguardSGD, which can provably escape saddle points and find approximate local minima of the non-convex objective. The algorithm is based on a new concentration filtering technique, and its sample and time complexity bounds match the best known theoretical bounds in the stochastic, distributed setting when no Byzantine machines are present. Our algorithm is very practical: it improves upon the performance of all prior methods when training deep neural networks, it is relatively lightweight, and it is the first method to withstand two recently-proposed Byzantine attacks.

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.