NeurIPS 2021 论文列表

Graph Convolutional Networks (GCNs) have attracted more and more attentions in recent years. A typical GCN layer consists of a linear feature propagation step and a nonlinear transformation step. Recent works show that a linear GCN can achieve comparable performance to the original non-linear GCN while being much more computationally efficient. In this paper, we dissect the feature propagation steps of linear GCNs from a perspective of continuous graph diffusion, and analyze why linear GCNs fail to benefit from more propagation steps. Following that, we propose Decoupled Graph Convolution (DGC) that decouples the terminal time and the feature propagation steps, making it more flexible and capable of exploiting a very large number of feature propagation steps. Experiments demonstrate that our proposed DGC improves linear GCNs by a large margin and makes them competitive with many modern variants of non-linear GCNs.

Error correction techniques have been used to refine the output sentences from automatic speech recognition (ASR) models and achieve a lower word error rate (WER) than original ASR outputs. Previous works usually use a sequence-to-sequence model to correct an ASR output sentence autoregressively, which causes large latency and cannot be deployed in online ASR services. A straightforward solution to reduce latency, inspired by non-autoregressive (NAR) neural machine translation, is to use an NAR sequence generation model for ASR error correction, which, however, comes at the cost of significantly increased ASR error rate. In this paper, observing distinctive error patterns and correction operations (i.e., insertion, deletion, and substitution) in ASR, we propose FastCorrect, a novel NAR error correction model based on edit alignment. In training, FastCorrect aligns each source token from an ASR output sentence to the target tokens from the corresponding ground-truth sentence based on the edit distance between the source and target sentences, and extracts the number of target tokens corresponding to each source token during edition/correction, which is then used to train a length predictor and to adjust the source tokens to match the length of the target sentence for parallel generation. In inference, the token number predicted by the length predictor is used to adjust the source tokens for target sequence generation. Experiments on the public AISHELL-1 dataset and an internal industrial-scale ASR dataset show the effectiveness of FastCorrect for ASR error correction: 1) it speeds up the inference by 6-9 times and maintains the accuracy (8-14% WER reduction) compared with the autoregressive correction model; and 2) it outperforms the popular NAR models adopted in neural machine translation and text edition by a large margin.

The category gap between training and evaluation has been characterised as one of the main obstacles to the success of Few-Shot Learning (FSL). In this paper, we for the first time empirically identify image background, common in realistic images, as a shortcut knowledge helpful for in-class classification but ungeneralizable beyond training categories in FSL. A novel framework, COSOC, is designed to tackle this problem by extracting foreground objects in images at both training and evaluation without any extra supervision. Extensive experiments carried on inductive FSL tasks demonstrate the effectiveness of our approaches.

The interdependence between nodes in graphs is key to improve class prediction on nodes, utilized in approaches like Label Probagation (LP) or in Graph Neural Networks (GNNs). Nonetheless, uncertainty estimation for non-independent node-level predictions is under-explored. In this work, we explore uncertainty quantification for node classification in three ways: (1) We derive three axioms explicitly characterizing the expected predictive uncertainty behavior in homophilic attributed graphs.(2) We propose a new model Graph Posterior Network (GPN) which explicitly performs Bayesian posterior updates for predictions on interdependent nodes. GPN provably obeys the proposed axioms. (3) We extensively evaluate GPN and a strong set of baselines on semi-supervised node classification including detection of anomalous features, and detection of left-out classes. GPN outperforms existing approaches for uncertainty estimation in the experiments.

The field of neuromorphic computing promises extremely low-power and low-latency sensing and processing. Challenges in transferring learning algorithms from traditional artificial neural networks (ANNs) to spiking neural networks (SNNs) have so far prevented their application to large-scale, complex regression tasks. Furthermore, realizing a truly asynchronous and fully neuromorphic pipeline that maximally attains the abovementioned benefits involves rethinking the way in which this pipeline takes in and accumulates information. In the case of perception, spikes would be passed as-is and one-by-one between an event camera and an SNN, meaning all temporal integration of information must happen inside the network. In this article, we tackle these two problems. We focus on the complex task of learning to estimate optical flow from event-based camera inputs in a self-supervised manner, and modify the state-of-the-art ANN training pipeline to encode minimal temporal information in its inputs. Moreover, we reformulate the self-supervised loss function for event-based optical flow to improve its convexity. We perform experiments with various types of recurrent ANNs and SNNs using the proposed pipeline. Concerning SNNs, we investigate the effects of elements such as parameter initialization and optimization, surrogate gradient shape, and adaptive neuronal mechanisms. We find that initialization and surrogate gradient width play a crucial part in enabling learning with sparse inputs, while the inclusion of adaptivity and learnable neuronal parameters can improve performance. We show that the performance of the proposed ANNs and SNNs are on par with that of the current state-of-the-art ANNs trained in a self-supervised manner.

Decision makers rely on probabilistic forecasts to predict the loss of different decision rules before deployment. When the forecasted probabilities match the true frequencies, predicted losses will be accurate. Although perfect forecasts are typically impossible, probabilities can be calibrated to match the true frequencies on average. However, we find that this \textit{average} notion of calibration, which is typically used in practice, does not necessarily guarantee accurate decision loss prediction. Specifically in the regression setting, the loss of threshold decisions, which are decisions based on whether the forecasted outcome falls above or below a cutoff, might not be predicted accurately. We propose a stronger notion of calibration called threshold calibration, which is exactly the condition required to ensure that decision loss is predicted accurately for threshold decisions. We provide an efficient algorithm which takes an uncalibrated forecaster as input and provably outputs a threshold-calibrated forecaster. Our procedure allows downstream decision makers to confidently estimate the loss of any threshold decision under any threshold loss function. Empirically, threshold calibration improves decision loss prediction without compromising on the quality of the decisions in two real-world settings: hospital scheduling decisions and resource allocation decisions.

Parallel hardware devices (e.g., graphics processor units) have limited high-bandwidth memory capacity. This negatively impacts the training of deep neural networks (DNNs) by increasing runtime and/or decreasing accuracy when reducing model and/or batch size to fit this capacity. Lossy compression is a promising approach to tackling memory capacity constraints, but prior approaches rely on hyperparameter search to achieve a suitable trade-off between convergence and compression, negating runtime benefits. In this paper we build upon recent developments on Stochastic Gradient Descent convergence to prove an upper bound on the expected loss increase when training with compressed activation storage. We then express activation compression error in terms of this bound, allowing the compression rate to adapt to training conditions automatically. The advantage of our approach, called AC-GC, over existing lossy compression frameworks is that, given a preset allowable increase in loss, significant compression without significant increase in error can be achieved with a single training run. When combined with error-bounded methods, AC-GC achieves 15.1x compression with an average accuracy change of 0.1% on text and image datasets. AC-GC functions on any model composed of the layers analyzed and, by avoiding compression rate search, reduces overall training time by 4.6x over SuccessiveHalving.

Estimation of parameters in differential equation models can be achieved by applying learning algorithms to quantitative time-series data. However, sometimes it is only possible to measure qualitative changes of a system in response to a controlled condition. In dynamical systems theory, such change points are known as bifurcations and lie on a function of the controlled condition called the bifurcation diagram. In this work, we propose a gradient-based approach for inferring the parameters of differential equations that produce a user-specified bifurcation diagram. The cost function contains an error term that is minimal when the model bifurcations match the specified targets and a bifurcation measure which has gradients that push optimisers towards bifurcating parameter regimes. The gradients can be computed without the need to differentiate through the operations of the solver that was used to compute the diagram. We demonstrate parameter inference with minimal models which explore the space of saddle-node and pitchfork diagrams and the genetic toggle switch from synthetic biology. Furthermore, the cost landscape allows us to organise models in terms of topological and geometric equivalence.

A decision tree is commonly restricted to use a single hyperplane to split the covariate space at each of its internal nodes. It often requires a large number of nodes to achieve high accuracy. In this paper, we propose convex polytope trees (CPT) to expand the family of decision trees by an interpretable generalization of their decision boundary. The splitting function at each node of CPT is based on the logical disjunction of a community of differently weighted probabilistic linear decision-makers, which also geometrically corresponds to a convex polytope in the covariate space. We use a nonparametric Bayesian prior at each node to infer the community's size, encouraging simpler decision boundaries by shrinking the number of polytope facets. We develop a greedy method to efficiently construct CPT and scalable end-to-end training algorithms for the tree parameters when the tree structure is given. We empirically demonstrate the efficiency of CPT over existing state-of-the-art decision trees in several real-world classification and regression tasks from diverse domains.

Recent history has seen a tremendous growth of work exploring implicit representations of geometry and radiance, popularized through Neural Radiance Fields (NeRF). Such works are fundamentally based on a (implicit) {\em volumetric} representation of occupancy, allowing them to model diverse scene structure including translucent objects and atmospheric obscurants. But because the vast majority of real-world scenes are composed of well-defined surfaces, we introduce a {\em surface} analog of such implicit models called Neural Reflectance Surfaces (NeRS). NeRS learns a neural shape representation of a closed surface that is diffeomorphic to a sphere, guaranteeing water-tight reconstructions. Even more importantly, surface parameterizations allow NeRS to learn (neural) bidirectional surface reflectance functions (BRDFs) that factorize view-dependent appearance into environmental illumination, diffuse color (albedo), and specular “shininess.” Finally, rather than illustrating our results on synthetic scenes or controlled in-the-lab capture, we assemble a novel dataset of multi-view images from online marketplaces for selling goods. Such “in-the-wild” multi-view image sets pose a number of challenges, including a small number of views with unknown/rough camera estimates. We demonstrate that surface-based neural reconstructions enable learning from such data, outperforming volumetric neural rendering-based reconstructions. We hope that NeRS serves as a first step toward building scalable, high-quality libraries of real-world shape, materials, and illumination.

The ability to synthesize realistic and diverse indoor furniture layouts automatically or based on partial input, unlocks many applications, from better interactive 3D tools to data synthesis for training and simulation. In this paper, we present ATISS, a novel autoregressive transformer architecture for creating diverse and plausible synthetic indoor environments, given only the room type and its floor plan. In contrast to prior work, which poses scene synthesis as sequence generation, our model generates rooms as unordered sets of objects. We argue that this formulation is more natural, as it makes ATISS generally useful beyond fully automatic room layout synthesis. For example, the same trained model can be used in interactive applications for general scene completion, partial room re-arrangement with any objects specified by the user, as well as object suggestions for any partial room. To enable this, our model leverages the permutation equivariance of the transformer when conditioning on the partial scene, and is trained to be permutation-invariant across object orderings. Our model is trained end-to-end as an autoregressive generative model using only labeled 3D bounding boxes as supervision. Evaluations on four room types in the 3D-FRONT dataset demonstrate that our model consistently generates plausible room layouts that are more realistic than existing methods. In addition, it has fewer parameters, is simpler to implement and train and runs up to 8 times faster than existing methods.

Recently, utilizing reinforcement learning (RL) to generate molecules with desired properties has been highlighted as a promising strategy for drug design. Molecular docking program -- a physical simulation that estimates protein-small molecule binding affinity -- can be an ideal reward scoring function for RL, as it is a straightforward proxy of the therapeutic potential. Still, two imminent challenges exist for this task. First, the models often fail to generate chemically realistic and pharmacochemically acceptable molecules. Second, the docking score optimization is a difficult exploration problem that involves many local optima and less smooth surface with respect to molecular structure. To tackle these challenges, we propose a novel RL framework that generates pharmacochemically acceptable molecules with large docking scores. Our method -- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED) -- constrains the generated molecules to a realistic and qualified chemical space and effectively explores the space to find drugs by coupling our fragment-based generation method and a novel error-prioritized experience replay (PER). We also show that our model performs well on both de novo and scaffold-based schemes. Our model produces molecules of higher quality compared to existing methods while achieving state-of-the-art performance on two of three targets in terms of the docking scores of the generated molecules. We further show with ablation studies that our method, predictive error-PER (FREED(PE)), significantly improves the model performance.

Recent work in iterative voting has defined the additive dynamic price of anarchy (ADPoA) as the difference in social welfare between the truthful and worst-case equilibrium profiles resulting from repeated strategic manipulations. While iterative plurality has been shown to only return alternatives with at most one less initial votes than the truthful winner, it is less understood how agents' welfare changes in equilibrium. To this end, we differentiate agents' utility from their manipulation mechanism and determine iterative plurality's ADPoA in the worst- and average-cases. We first prove that the worst-case ADPoA is linear in the number of agents. To overcome this negative result, we study the average-case ADPoA and prove that equilibrium winners have a constant order welfare advantage over the truthful winner in expectation. Our positive results illustrate the prospect for social welfare to increase due to strategic manipulation.

Current SOTA adversarially robust models are mostly based on adversarial training (AT) and differ only by some regularizers either at inner maximization or outer minimization steps. Being repetitive in nature during the inner maximization step, they take a huge time to train. We propose a non-iterative method that enforces the following ideas during training. Attribution maps are more aligned to the actual object in the image for adversarially robust models compared to naturally trained models. Also, the allowed set of pixels to perturb an image (that changes model decision) should be restricted to the object pixels only, which reduces the attack strength by limiting the attack space. Our method achieves significant performance gains with a little extra effort (10-20%) over existing AT models and outperforms all other methods in terms of adversarial as well as natural accuracy. We have performed extensive experimentation with CIFAR-10, CIFAR-100, and TinyImageNet datasets and reported results against many popular strong adversarial attacks to prove the effectiveness of our method.

The stochastic compositional optimization problem covers a wide range of machine learning models, such as sparse additive models and model-agnostic meta-learning. Thus, it is necessary to develop efficient methods for its optimization. Existing methods for the stochastic compositional optimization problem only focus on the single machine scenario, which is far from satisfactory when data are distributed on different devices. To address this problem, we propose novel decentralized stochastic compositional gradient descent methods to efficiently train the large-scale stochastic compositional optimization problem. To the best of our knowledge, our work is the first one facilitating decentralized training for this kind of problem. Furthermore, we provide the convergence analysis for our methods, which shows that the convergence rate of our methods can achieve linear speedup with respect to the number of devices. At last, we apply our decentralized training methods to the model-agnostic meta-learning problem, and the experimental results confirm the superior performance of our methods.

We consider the problem of offline reinforcement learning (RL) --- a well-motivated setting of RL that aims at policy optimization using only historical data. Despite its wide applicability, theoretical understandings of offline RL, such as its optimal sample complexity, remain largely open even in basic settings such as \emph{tabular} Markov Decision Processes (MDPs). In this paper, we propose \emph{Off-Policy Double Variance Reduction} (OPDVR), a new variance reduction-based algorithm for offline RL. Our main result shows that OPDVR provably identifies an $\epsilon$-optimal policy with $\widetilde{O}(H^2/d_m\epsilon^2)$ episodes of offline data in the finite-horizon \emph{stationary transition} setting, where $H$ is the horizon length and $d_m$ is the minimal marginal state-action distribution induced by the behavior policy. This improves over the best-known upper bound by a factor of $H$. Moreover, we establish an information-theoretic lower bound of $\Omega(H^2/d_m\epsilon^2)$ which certifies that OPDVR is optimal up to logarithmic factors. Lastly, we show that OPDVR also achieves rate-optimal sample complexity under alternative settings such as the finite-horizon MDPs with non-stationary transitions and the infinite horizon MDPs with discounted rewards.

Recent theoretical work studies sample-efficient reinforcement learning (RL) extensively in two settings: learning interactively in the environment (online RL), or learning from an offline dataset (offline RL). However, existing algorithms and theories for learning near-optimal policies in these two settings are rather different and disconnected. Towards bridging this gap, this paper initiates the theoretical study of *policy finetuning*, that is, online RL where the learner has additional access to a "reference policy" $\mu$ close to the optimal policy $\pi_\star$ in a certain sense. We consider the policy finetuning problem in episodic Markov Decision Processes (MDPs) with $S$ states, $A$ actions, and horizon length $H$. We first design a sharp *offline reduction* algorithm---which simply executes $\mu$ and runs offline policy optimization on the collected dataset---that finds an $\varepsilon$ near-optimal policy within $\widetilde{O}(H^3SC^\star/\varepsilon^2)$ episodes, where $C^\star$ is the single-policy concentrability coefficient between $\mu$ and $\pi_\star$. This offline result is the first that matches the sample complexity lower bound in this setting, and resolves a recent open question in offline RL. We then establish an $\Omega(H^3S\min\{C^\star, A\}/\varepsilon^2)$ sample complexity lower bound for *any* policy finetuning algorithm, including those that can adaptively explore the environment. This implies that---perhaps surprisingly---the optimal policy finetuning algorithm is either offline reduction or a purely online RL algorithm that does not use $\mu$. Finally, we design a new hybrid offline/online algorithm for policy finetuning that achieves better sample complexity than both vanilla offline reduction and purely online RL algorithms, in a relaxed setting where $\mu$ only satisfies concentrability partially up to a certain time step. Overall, our results offer a quantitative understanding on the benefit of a good reference policy, and make a step towards bridging offline and online RL.

We propose AdaTS, a Thompson sampling algorithm that adapts sequentially to bandit tasks that it interacts with. The key idea in AdaTS is to adapt to an unknown task prior distribution by maintaining a distribution over its parameters. When solving a bandit task, that uncertainty is marginalized out and properly accounted for. AdaTS is a fully-Bayesian algorithm that can be implemented efficiently in several classes of bandit problems. We derive upper bounds on its Bayes regret that quantify the loss due to not knowing the task prior, and show that it is small. Our theory is supported by experiments, where AdaTS outperforms prior algorithms and works well even in challenging real-world problems.

Many sequential decision making problems are high-stakes and require off-policy evaluation (OPE) of a new policy using historical data collected using some other policy. One of the most common OPE techniques that provides unbiased estimates is trajectory based importance sampling (IS). However, due to the high variance of trajectory IS estimates, importance sampling methods based on state-action visitation distributions (SIS) have recently been adopted. Unfortunately, while SIS often provides lower variance estimates for long horizons, estimating the state-action distribution ratios can be challenging and lead to biased estimates. In this paper, we present a new perspective on this bias-variance trade-off and show the existence of a spectrum of estimators whose endpoints are SIS and IS. Additionally, we also establish a spectrum for doubly-robust and weighted version of these estimators. We provide empirical evidence that estimators in this spectrum can be used to trade-off between the bias and variance of IS and SIS and can achieve lower mean-squared error than both IS and SIS.