NeurIPS 2021 Papers

Recent advances in center-based clustering continue to improve upon the drawbacks of Lloyd's celebrated $k$-means algorithm over $60$ years after its introduction. Various methods seek to address poor local minima, sensitivity to outliers, and data that are not well-suited to Euclidean measures of fit, but many are supported largely empirically. Moreover, combining such approaches in a piecemeal manner can result in ad hoc methods, and the limited theoretical results supporting each individual contribution may no longer hold. Toward addressing these issues in a principled way, this paper proposes a cohesive robust framework for center-based clustering under a general class of dissimilarity measures. In particular, we present a rigorous theoretical treatment within a Median-of-Means (MoM) estimation framework, showing that it subsumes several popular $k$-means variants. In addition to unifying existing methods, we derive uniform concentration bounds that complete their analyses, and bridge these results to the MoM framework via Dudley's chaining arguments. Importantly, we neither require any assumptions on the distribution of the outlying observations nor on the relative number of observations $n$ to features $p$. We establish strong consistency and an error rate of $O(n^{-1/2})$ under mild conditions, surpassing the best-known results in the literature. The methods are empirically validated thoroughly on real and synthetic datasets.

Robustness of machine learning models is critical for security related applications, where real-world adversaries are uniquely focused on evading neural network based detectors. Prior work mainly focus on crafting adversarial examples (AEs) with small uniform norm-bounded perturbations across features to maintain the requirement of imperceptibility. However, uniform perturbations do not result in realistic AEs in domains such as malware, finance, and social networks. For these types of applications, features typically have some semantically meaningful dependencies. The key idea of our proposed approach is to enable non-uniform perturbations that can adequately represent these feature dependencies during adversarial training. We propose using characteristics of the empirical data distribution, both on correlations between the features and the importance of the features themselves. Using experimental datasets for malware classification, credit risk prediction, and spam detection, we show that our approach is more robust to real-world attacks. Finally, we present robustness certification utilizing non-uniform perturbation bounds, and show that non-uniform bounds achieve better certification.

We propose a new framework for Imitation Learning (IL) via density estimation of the expert's occupancy measure followed by Maximum Occupancy Entropy Reinforcement Learning (RL) using the density as a reward. Our approach maximizes a non-adversarial model-free RL objective that provably lower bounds reverse Kullback–Leibler divergence between occupancy measures of the expert and imitator. We present a practical IL algorithm, Neural Density Imitation (NDI), which obtains state-of-the-art demonstration efficiency on benchmark control tasks.

Efficient exploration in deep cooperative multi-agent reinforcement learning (MARL) still remains challenging in complex coordination problems. In this paper, we introduce a novel Episodic Multi-agent reinforcement learning with Curiosity-driven exploration, called EMC. We leverage an insight of popular factorized MARL algorithms that the ``induced" individual Q-values, i.e., the individual utility functions used for local execution, are the embeddings of local action-observation histories, and can capture the interaction between agents due to reward backpropagation during centralized training. Therefore, we use prediction errors of individual Q-values as intrinsic rewards for coordinated exploration and utilize episodic memory to exploit explored informative experience to boost policy training. As the dynamics of an agent's individual Q-value function captures the novelty of states and the influence from other agents, our intrinsic reward can induce coordinated exploration to new or promising states. We illustrate the advantages of our method by didactic examples, and demonstrate its significant outperformance over state-of-the-art MARL baselines on challenging tasks in the StarCraft II micromanagement benchmark.

Multi-agent deep reinforcement learning (MARL) suffers from a lack of commonly-used evaluation tasks and criteria, making comparisons between approaches difficult. In this work, we provide a systematic evaluation and comparison of three different classes of MARL algorithms (independent learning, centralised multi-agent policy gradient, value decomposition) in a diverse range of cooperative multi-agent learning tasks. Our experiments serve as a reference for the expected performance of algorithms across different learning tasks, and we provide insights regarding the effectiveness of different learning approaches. We open-source EPyMARL, which extends the PyMARL codebase to include additional algorithms and allow for flexible configuration of algorithm implementation details such as parameter sharing. Finally, we open-source two environments for multi-agent research which focus on coordination under sparse rewards.

In this paper, we follow Rodomanov and Nesterov’s work to study quasi-Newton methods. We focus on the common SR1 and BFGS quasi-Newton methods to establish better explicit (local) superlinear convergence rates. First, based on the greedy quasi-Newton update which greedily selects the direction to maximize a certain measure of progress, we improve the convergence rate to a condition-number-free superlinear convergence rate. Second, based on the random quasi-Newton update that selects the direction randomly from a spherically symmetric distribution, we show the same superlinear convergence rate established as above. Our analysis is closely related to the approximation of a given Hessian matrix, unconstrained quadratic objective, as well as the general strongly convex, smooth, and strongly self-concordant functions.

The Wasserstein barycenter is a geometric construct which captures the notion of centrality among probability distributions, and which has found many applications in machine learning. However, most algorithms for finding even an approximate barycenter suffer an exponential dependence on the dimension $d$ of the underlying space of the distributions. In order to cope with this ``curse of dimensionality,'' we study dimensionality reduction techniques for the Wasserstein barycenter problem. When the barycenter is restricted to support of size $n$, we show that randomized dimensionality reduction can be used to map the problem to a space of dimension $O(\log n)$ independent of both $d$ and $k$, and that \emph{any} solution found in the reduced dimension will have its cost preserved up to arbitrary small error in the original space. We provide matching upper and lower bounds on the size of the reduced dimension, showing that our methods are optimal up to constant factors. We also provide a coreset construction for the Wasserstein barycenter problem that significantly decreases the number of input distributions. The coresets can be used in conjunction with random projections and thus further improve computation time. Lastly, our experimental results validate the speedup provided by dimensionality reduction while maintaining solution quality.

We study the problem of active pure exploration with fixed confidence in generic stochastic bandit environments. The goal of the learner is to answer a query about the environment with a given level of certainty while minimizing her sampling budget. For this problem, instance-specific lower bounds on the expected sample complexity reveal the optimal proportions of arm draws an Oracle algorithm would apply. These proportions solve an optimization problem whose tractability strongly depends on the structural properties of the environment, but may be instrumental in the design of efficient learning algorithms. We devise Frank-Wolfe-based Sampling (FWS), a simple algorithm whose sample complexity matches the lower bounds for a wide class of pure exploration problems. The algorithm is computationally efficient as, to learn and track the optimal proportion of arm draws, it relies on a single iteration of Frank-Wolfe algorithm applied to the lower-bound optimization problem. We apply FWS to various pure exploration tasks, including best arm identification in unstructured, thresholded, linear, and Lipschitz bandits. Despite its simplicity, FWS is competitive compared to state-of-art algorithms.

Motivated by applications to resource-limited and safety-critical domains, we study selective classification in the online learning model, wherein a predictor may abstain from classifying an instance. For example, this may model an adaptive decision to invoke more resources on this instance. Two salient aspects of the setting we consider are that the data may be non-realisable, due to which abstention may be a valid long-term action, and that feedback is only received when the learner abstains, which models the fact that reliable labels are only available when the resource intensive processing is invoked. Within this framework, we explore strategies that make few mistakes, while not abstaining too many times more than the best-in-hindsight error-free classifier from a given class. That is, the one that makes no mistakes, while abstaining the fewest number of times. We construct simple versioning-based schemes for any $\mu \in (0,1],$ that make most $T^\mu$ mistakes while incurring $\tilde{O}(T^{1-\mu})$ excess abstention against adaptive adversaries. We further show that this dependence on $T$ is tight, and provide illustrative experiments on realistic datasets.

Understanding the trustworthiness of a prediction yielded by a classifier is critical for the safe and effective use of AI models. Prior efforts have been proven to be reliable on small-scale datasets. In this work, we study the problem of predicting trustworthiness on real-world large-scale datasets, where the task is more challenging due to high-dimensional features, diverse visual concepts, and a large number of samples. In such a setting, we observe that the trustworthiness predictors trained with prior-art loss functions, i.e., the cross entropy loss, focal loss, and true class probability confidence loss, are prone to view both correct predictions and incorrect predictions to be trustworthy. The reasons are two-fold. Firstly, correct predictions are generally dominant over incorrect predictions. Secondly, due to the data complexity, it is challenging to differentiate the incorrect predictions from the correct ones on real-world large-scale datasets. To improve the generalizability of trustworthiness predictors, we propose a novel steep slope loss to separate the features w.r.t. correct predictions from the ones w.r.t. incorrect predictions by two slide-like curves that oppose each other. The proposed loss is evaluated with two representative deep learning models, i.e., Vision Transformer and ResNet, as trustworthiness predictors. We conduct comprehensive experiments and analyses on ImageNet, which show that the proposed loss effectively improves the generalizability of trustworthiness predictors. The code and pre-trained trustworthiness predictors for reproducibility are available at \url{https://github.com/luoyan407/predict_trustworthiness}.

Backdoor attack has emerged as a major security threat to deep neural networks (DNNs). While existing defense methods have demonstrated promising results on detecting or erasing backdoors, it is still not clear whether robust training methods can be devised to prevent the backdoor triggers being injected into the trained model in the first place. In this paper, we introduce the concept of \emph{anti-backdoor learning}, aiming to train \emph{clean} models given backdoor-poisoned data. We frame the overall learning process as a dual-task of learning the \emph{clean} and the \emph{backdoor} portions of data. From this view, we identify two inherent characteristics of backdoor attacks as their weaknesses: 1) the models learn backdoored data much faster than learning with clean data, and the stronger the attack the faster the model converges on backdoored data; 2) the backdoor task is tied to a specific class (the backdoor target class). Based on these two weaknesses, we propose a general learning scheme, Anti-Backdoor Learning (ABL), to automatically prevent backdoor attacks during training. ABL introduces a two-stage \emph{gradient ascent} mechanism for standard training to 1) help isolate backdoor examples at an early training stage, and 2) break the correlation between backdoor examples and the target class at a later training stage. Through extensive experiments on multiple benchmark datasets against 10 state-of-the-art attacks, we empirically show that ABL-trained models on backdoor-poisoned data achieve the same performance as they were trained on purely clean data. Code is available at \url{https://github.com/bboylyg/ABL}.

Learning object-centric scene representations is essential for attaining structural understanding and abstraction of complex scenes. Yet, as current approaches for unsupervised object-centric representation learning are built upon either a stationary observer assumption or a static scene assumption, they often: i) suffer single-view spatial ambiguities, or ii) infer incorrectly or inaccurately object representations from dynamic scenes. To address this, we propose Dynamics-aware Multi-Object Network (DyMON), a method that broadens the scope of multi-view object-centric representation learning to dynamic scenes. We train DyMON on multi-view-dynamic-scene data and show that DyMON learns---without supervision---to factorize the entangled effects of observer motions and scene object dynamics from a sequence of observations, and constructs scene object spatial representations suitable for rendering at arbitrary times (querying across time) and from arbitrary viewpoints (querying across space). We also show that the factorized scene representations (w.r.t. objects) support querying about a single object by space and time independently.

Multi-head attention has each of the attention heads collect salient information from different parts of an input sequence, making it a powerful mechanism for sequence modeling. Multilingual and multi-domain learning are common scenarios for sequence modeling, where the key challenge is to maximize positive transfer and mitigate negative interference across languages and domains. In this paper, we find that non-selective attention sharing is sub-optimal for achieving good generalization across all languages and domains. We further propose attention sharing strategies to facilitate parameter sharing and specialization in multilingual and multi-domain sequence modeling. Our approach automatically learns shared and specialized attention heads for different languages and domains. Evaluated in various tasks including speech recognition, text-to-text and speech-to-text translation, the proposed attention sharing strategies consistently bring gains to sequence models built upon multi-head attention. For speech-to-text translation, our approach yields an average of $+2.0$ BLEU over $13$ language directions in multilingual setting and $+2.0$ BLEU over $3$ domains in multi-domain setting.

Graph Neural Networks (GNNs) often suffer from weak-generalization due to sparsely labeled data despite their promising results on various graph-based tasks. Data augmentation is a prevalent remedy to improve the generalization ability of models in many domains. However, due to the non-Euclidean nature of data space and the dependencies between samples, designing effective augmentation on graphs is challenging. In this paper, we propose a novel framework Metropolis-Hastings Data Augmentation (MH-Aug) that draws augmented graphs from an explicit target distribution for semi-supervised learning. MH-Aug produces a sequence of augmented graphs from the target distribution enables flexible control of the strength and diversity of augmentation. Since the direct sampling from the complex target distribution is challenging, we adopt the Metropolis-Hastings algorithm to obtain the augmented samples. We also propose a simple and effective semi-supervised learning strategy with generated samples from MH-Aug. Our extensive experiments demonstrate that MH-Aug can generate a sequence of samples according to the target distribution to significantly improve the performance of GNNs.

Modelling interactions is critical in learning complex dynamical systems, namely systems of interacting objects with highly non-linear and time-dependent behaviour. A large class of such systems can be formalized as $\textit{geometric graphs}$, $\textit{i.e.}$ graphs with nodes positioned in the Euclidean space given an $\textit{arbitrarily}$ chosen global coordinate system, for instance vehicles in a traffic scene. Notwithstanding the arbitrary global coordinate system, the governing dynamics of the respective dynamical systems are invariant to rotations and translations, also known as $\textit{Galilean invariance}$. As ignoring these invariances leads to worse generalization, in this work we propose local coordinate systems per node-object to induce roto-translation invariance to the geometric graph of the interacting dynamical system. Further, the local coordinate systems allow for a natural definition of anisotropic filtering in graph neural networks. Experiments in traffic scenes, 3D motion capture, and colliding particles demonstrate the proposed approach comfortably outperforms the recent state-of-the-art.

Complex physical tasks entail a sequence of object interactions, each with its own preconditions -- which can be difficult for robotic agents to learn efficiently solely through their own experience. We introduce an approach to discover activity-context priors from in-the-wild egocentric video captured with human worn cameras. For a given object, an activity-context prior represents the set of other compatible objects that are required for activities to succeed (e.g., a knife and cutting board brought together with a tomato are conducive to cutting). We encode our video-based prior as an auxiliary reward function that encourages an agent to bring compatible objects together before attempting an interaction. In this way, our model translates everyday human experience into embodied agent skills. We demonstrate our idea using egocentric EPIC-Kitchens video of people performing unscripted kitchen activities to benefit virtual household robotic agents performing various complex tasks in AI2-iTHOR, significantly accelerating agent learning.

Multilingual Spoken Words Corpus is a large and growing audio dataset of spoken words in 50 languages collectively spoken by over 5 billion people, for academic research and commercial applications in keyword spotting and spoken term search, licensed under CC-BY 4.0. The dataset contains more than 340,000 keywords, totaling 23.4 million 1-second spoken examples (over 6,000 hours). The dataset has many use cases, ranging from voice-enabled consumer devices to call center automation. We generate this dataset by applying forced alignment on crowd-sourced sentence-level audio to produce per-word timing estimates for extraction. All alignments are included in the dataset. We provide a detailed analysis of the contents of the data and contribute methods for detecting potential outliers. We report baseline accuracy metrics on keyword spotting models trained from our dataset compared to models trained on a manually-recorded keyword dataset. We conclude with our plans for dataset maintenance, updates, and open-sourced code.

Discovering a solution in a combinatorial space is prevalent in many real-world problems but it is also challenging due to diverse complex constraints and the vast number of possible combinations. To address such a problem, we introduce a novel formulation, combinatorial construction, which requires a building agent to assemble unit primitives (i.e., LEGO bricks) sequentially -- every connection between two bricks must follow a fixed rule, while no bricks mutually overlap. To construct a target object, we provide incomplete knowledge about the desired target (i.e., 2D images) instead of exact and explicit volumetric information to the agent. This problem requires a comprehensive understanding of partial information and long-term planning to append a brick sequentially, which leads us to employ reinforcement learning. The approach has to consider a variable-sized action space where a large number of invalid actions, which would cause overlap between bricks, exist. To resolve these issues, our model, dubbed Brick-by-Brick, adopts an action validity prediction network that efficiently filters invalid actions for an actor-critic network. We demonstrate that the proposed method successfully learns to construct an unseen object conditioned on a single image or multiple views of a target object.

Given the ubiquity of deep neural networks, it is important that these models do not reveal information about sensitive data that they have been trained on. In model inversion attacks, a malicious user attempts to recover the private dataset used to train a supervised neural network. A successful model inversion attack should generate realistic and diverse samples that accurately describe each of the classes in the private dataset. In this work, we provide a probabilistic interpretation of model inversion attacks, and formulate a variational objective that accounts for both diversity and accuracy. In order to optimize this variational objective, we choose a variational family defined in the code space of a deep generative model, trained on a public auxiliary dataset that shares some structural similarity with the target dataset. Empirically, our method substantially improves performance in terms of target attack accuracy, sample realism, and diversity on datasets of faces and chest X-ray images.