mtybilly/Instruct2DS huggingface dataset:
Nested Graph Neural Networks
Authors: Pan Li Muhan Zhang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Graph neural network (GNN)'s success in graph classification is closely related to the Weisfeiler-Lehman (1-WL) algorithm. By iteratively aggregating neighboring node features to a center node, both 1-WL and GNN obtain a node representation that encodes a rooted subtree around the center node. These rooted subtree representations are then pooled into a single representation to represent the whole graph. However, rooted subtrees are of limited expressiveness to represent a non-tree graph. To address it, we propose Nested Graph Neural Networks (NGNNs). NGNN represents a graph with rooted subgraphs instead of rooted subtrees, so that two graphs sharing many identical subgraphs (rather than subtrees) tend to have similar representations. The key is to make each node representation encode a subgraph around it more than a subtree. To achieve this, NGNN extracts a local subgraph around each node and applies a base GNN to each subgraph to learn a subgraph representation. The whole-graph representation is then obtained by pooling these subgraph representations. We provide a rigorous theoretical analysis showing that NGNN is strictly more powerful than 1-WL. In particular, we proved that NGNN can discriminate almost all r-regular graphs, where 1-WL always fails. Moreover, unlike other more powerful GNNs, NGNN only introduces a constant-factor higher time complexity than standard GNNs. NGNN is a plug-and-play framework that can be combined with various base GNNs. We test NGNN with different base GNNs on several benchmark datasets. NGNN uniformly improves their performance and shows highly competitive performance on all datasets.
Multimodal and Multilingual Embeddings for Large-Scale Speech Mining
Authors: Hongyu Gong, Holger Schwenk Paul-Ambroise Duquenne
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We present an approach to encode a speech signal into a fixed-size representation which minimizes the cosine loss with the existing massively multilingual LASER text embedding space. Sentences are close in this embedding space, independently of their language and modality, either text or audio. Using a similarity metric in that multimodal embedding space, we perform mining of audio in German, French, Spanish and English from Librivox against billions of sentences from Common Crawl. This yielded more than twenty thousand hours of aligned speech translations.  To evaluate the automatically mined speech/text corpora, we train neural speech translation systems for several languages pairs. Adding the mined data, achieves significant improvements in the BLEU score on the CoVoST2 and the MUST-C test sets with respect to a very competitive baseline. Our approach can also be used to directly perform speech-to-speech mining, without the need to first transcribe or translate the data. We obtain more than one thousand three hundred hours of aligned speech in French, German, Spanish and English. This speech corpus has the potential to boost research in speech-to-speech translation which suffers from scarcity of natural end-to-end training data. All the mined multimodal corpora will be made freely available.
Necessary and sufficient graphical conditions for optimal adjustment sets in causal graphical models with hidden variables
Authors: Jakob Runge
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The problem of selecting optimal backdoor adjustment sets to estimate causal effects in graphical models with hidden and conditioned variables is addressed. Previous work has defined optimality as achieving the smallest asymptotic estimation variance and derived an optimal set for the case without hidden variables. For the case with hidden variables there can be settings where no optimal set exists and currently only a sufficient graphical optimality criterion of limited applicability has been derived. In the present work optimality is characterized as maximizing a certain adjustment information which allows to derive a necessary and sufficient graphical criterion for the existence of an optimal adjustment set and a definition and algorithm to construct it. Further, the optimal set is valid if and only if a valid adjustment set exists and has higher (or equal) adjustment information than the Adjust-set proposed in Perkovi{\'c} et~al. [Journal of Machine Learning Research, 18: 1--62, 2018] for any graph. The results translate to minimal asymptotic estimation variance for a class of estimators whose asymptotic variance follows a certain information-theoretic relation. Numerical experiments indicate that the asymptotic results also hold for relatively small sample sizes and that the optimal adjustment set or minimized variants thereof often yield better variance also beyond that estimator class. Surprisingly, among the randomly created setups more than 90\% fulfill the optimality conditions indicating that also in many real-world scenarios graphical optimality may hold.
On Blame Attribution for Accountable Multi-Agent Sequential Decision Making
Authors: Adish Singla, Goran Radanovic Stelios Triantafyllou
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Blame attribution is one of the key aspects of accountable decision making, as it provides means to quantify the responsibility of an agent for a decision making outcome. In this paper, we study blame attribution in the context of cooperative multi-agent sequential decision making. As a particular setting of interest, we focus on cooperative decision making formalized by Multi-Agent Markov Decision Processes (MMDPs), and we analyze different blame attribution methods derived from or inspired by existing concepts in cooperative game theory. We formalize desirable properties of blame attribution in the setting of interest, and we analyze the relationship between these properties and the studied blame attribution methods. Interestingly, we show that some of the well known blame attribution methods, such as Shapley value, are not performance-incentivizing, while others, such as Banzhaf index, may over-blame agents. To mitigate these value misalignment and fairness issues, we introduce a novel blame attribution method, unique in the set of properties it satisfies, which trade-offs explanatory power (by under-blaming agents) for the aforementioned properties.  We further show how to account for uncertainty about agents' decision making policies, and we experimentally: a) validate the qualitative properties of the studied blame attribution methods, and b) analyze their robustness to uncertainty.
FLEX: Unifying Evaluation for Few-Shot NLP
Authors: Arman Cohan, Kyle Lo, Iz Beltagy Jonathan Bragg
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Few-shot NLP research is highly active, yet conducted in disjoint research threads with evaluation suites that lack challenging-yet-realistic testing setups and fail to employ careful experimental design. Consequently, the community does not know which techniques perform best or even if they outperform simple baselines. In response, we formulate the FLEX Principles, a set of requirements and best practices for unified, rigorous, valid, and cost-sensitive few-shot NLP evaluation. These principles include Sample Size Design, a novel approach to benchmark design that optimizes statistical accuracy and precision while keeping evaluation costs manageable. Following the principles, we release the FLEX benchmark, which includes four few-shot transfer settings, zero-shot evaluation, and a public leaderboard that covers diverse NLP tasks. In addition, we present UniFew, a prompt-based model for few-shot learning that unifies pretraining and finetuning prompt formats, eschewing complex machinery of recent prompt-based approaches in adapting downstream task formats to language model pretraining objectives. We demonstrate that despite simplicity, UniFew achieves results competitive with both popular meta-learning and prompt-based approaches.
A flow-based latent state generative model of neural population responses to natural images
Authors: Edgar Walker, Konstantin-Klemens Lurz, Akshay Jagadish, Taliah Muhammad, Zhiwei Ding, Zhuokun Ding, Andreas Tolias, Fabian H. Sinz Mohammad Bashiri
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We present a joint deep neural system identification model for two major sources of neural variability: stimulus-driven and stimulus-conditioned fluctuations. To this end, we combine (1) state-of-the-art deep networks for stimulus-driven activity and (2) a flexible, normalizing flow-based generative model to capture the stimulus-conditioned variability including noise correlations. This allows us to train the model end-to-end without the need for sophisticated probabilistic approximations associated with many latent state models for stimulus-conditioned fluctuations. We train the model on the responses of thousands of neurons from multiple areas of the mouse visual cortex to natural images. We show that our model outperforms previous state-of-the-art models in predicting the distribution of neural population responses to novel stimuli, including shared stimulus-conditioned variability. Furthermore, it successfully learns known latent factors of the population responses that are related to behavioral variables such as pupil dilation, and other factors that vary systematically with brain area or retinotopic location. Overall, our model accurately accounts for two critical sources of neural variability while avoiding several complexities associated with many existing latent state models. It thus provides a useful tool for uncovering the interplay between different factors that contribute to variability in neural activity.
Learnable Fourier Features for Multi-dimensional Spatial Positional Encoding
Authors: Si Si, Gang Li, Cho-Jui Hsieh, Samy Bengio Yang Li
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Attentional mechanisms are order-invariant. Positional encoding is a crucial component to allow attention-based deep model architectures such as Transformer to address sequences or images where the position of information matters. In this paper, we propose a novel positional encoding method based on learnable Fourier features. Instead of hard-coding each position as a token or a vector, we represent each position, which can be multi-dimensional, as a trainable encoding based on learnable Fourier feature mapping, modulated  with  a  multi-layer perceptron. The representation is particularly advantageous for a spatial multi-dimensional position, e.g., pixel positions on an image, where $L_2$ distances or more complex positional relationships need to be captured. Our experiments based on several public benchmark tasks show that our learnable Fourier feature representation for multi-dimensional positional encoding outperforms existing methods by both improving the accuracy and allowing faster convergence.
Doubly Robust Thompson Sampling with Linear Payoffs
Authors: Gi-Soo Kim, Myunghee Cho Paik Wonyoung Kim
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: A challenging aspect of the bandit problem is that a stochastic reward is observed only for the chosen arm and the rewards of other arms remain missing.    The dependence of the arm choice on the past context and reward pairs compounds the complexity of regret analysis.We propose a novel multi-armed contextual bandit algorithm called Doubly Robust Thompson Sampling (DRTS) employing the doubly-robust estimator used in missing data literature to Thompson Sampling with contexts (\texttt{LinTS}).Different from previous works relying on missing data techniques (Dimakopoulou et al. [2019], Kim and Paik [2019]), the proposed algorithm is designed to allow a novel additive regret decomposition leading to an improved regret bound with the order of $\tilde{O}(\phi^{-2}\sqrt{T})$, where $\phi^2$ is the minimum eigenvalue of the covariance matrix of contexts.This is the first regret bound of \texttt{LinTS} using $\phi^2$ without $d$,  where $d$ is the dimension of the context.Applying the relationship between $\phi^2$ and $d$, the regret bound of the proposed algorithm is $\tilde{O}(d\sqrt{T})$ in many practical scenarios, improving the bound of \texttt{LinTS} by a factor of $\sqrt{d}$.A benefit of the proposed method is that it uses all the context data, chosen or not chosen, thus allowing to circumvent the technical definition of unsaturated arms used in theoretical analysis of \texttt{LinTS}.Empirical studies show the advantage of the proposed algorithm over \texttt{LinTS}.
A Computationally Efficient Method for Learning Exponential Family Distributions
Authors: Devavrat Shah, Gregory Wornell Abhin Shah
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We consider the question of learning the natural parameters of a $k$ parameter \textit{minimal} exponential family from i.i.d. samples in a computationally and statistically efficient manner. We focus on the setting where the support as well as the natural parameters are appropriately bounded. While the traditional maximum likelihood estimator for this class of exponential family is consistent, asymptotically normal, and asymptotically efficient, evaluating it is computationally hard. In this work, we propose a computationally efficient estimator that is consistent as well as asymptotically normal under mild conditions. We provide finite sample guarantees to achieve an ($\ell_2$) error of $\alpha$ in the parameter estimation  with sample complexity $O(\mathrm{poly}(k/\alpha))$ and computational complexity ${O}(\mathrm{poly}(k/\alpha))$. To establish these results, we show that, at the population level, our method can be viewed as the maximum likelihood estimation of a re-parameterized distribution belonging to the same class of exponential family.
Rethinking Neural Operations for Diverse Tasks
Authors: Mikhail Khodak, Tri Dao, Liam Li, Christopher Ré, Ameet Talwalkar Nicholas Roberts
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: An important goal of AutoML is to automate-away the design of neural networks on new tasks in under-explored domains. Motivated by this goal, we study the problem of enabling users to discover the right neural operations given data from their specific domain. We introduce a search space of operations called XD-Operations that mimic the inductive bias of standard multi-channel convolutions while being much more expressive: we prove that it includes many named operations across multiple application areas. Starting with any standard backbone such as ResNet, we show how to transform it into a search space over XD-operations and how to traverse the space using a simple weight sharing scheme. On a diverse set of tasks—solving PDEs, distance prediction for protein folding, and music modeling—our approach consistently yields models with lower error than baseline networks and often even lower error than expert-designed domain-specific approaches.
Motif-based Graph Self-Supervised Learning for Molecular Property Prediction
Authors: Qi Liu, Hao Wang, Chengqiang Lu, Chee-Kong Lee ZAIXI ZHANG
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Predicting molecular properties with data-driven methods has drawn much attention in recent years. Particularly, Graph Neural Networks (GNNs) have demonstrated remarkable success in various molecular generation and prediction tasks. In cases where labeled data is scarce, GNNs can be pre-trained on unlabeled molecular data to first learn the general semantic and structural information before being finetuned for specific tasks. However, most existing self-supervised pretraining frameworks for GNNs only focus on node-level or graph-level tasks. These approaches cannot capture the rich information in subgraphs or graph motifs. For example, functional groups (frequently-occurred subgraphs in molecular graphs)  often carry indicative information about the molecular properties. To bridge this gap, we propose Motif-based Graph Self-supervised Learning (MGSSL) by introducing a novel self-supervised motif generation framework for GNNs. First, for motif extraction from molecular graphs, we design a molecule fragmentation method that leverages a retrosynthesis-based algorithm BRICS and additional rules for controlling the size of motif vocabulary. Second, we design a general motif-based generative pretraining framework in which GNNs are asked to make topological and label predictions. This generative framework can be implemented in two different ways, i.e., breadth-first or depth-first. Finally, to take the multi-scale information in molecular graphs into consideration, we introduce a multi-level self-supervised pre-training. Extensive experiments on various downstream benchmark tasks show that our methods outperform all state-of-the-art baselines.
On Inductive Biases for Heterogeneous Treatment Effect Estimation
Authors: Mihaela van der Schaar Alicia Curth
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We investigate how to exploit structural similarities of an individual's potential outcomes (POs) under different treatments to obtain better estimates of conditional average treatment effects in finite samples. Especially when it is unknown whether a treatment has an effect at all, it is natural to hypothesize that the POs are similar -- yet, some existing strategies for treatment effect estimation employ regularization schemes that implicitly encourage heterogeneity even when it does not exist and fail to fully make use of shared structure. In this paper, we investigate and compare three end-to-end learning strategies to overcome this problem -- based on regularization, reparametrization and a flexible multi-task architecture -- each encoding inductive bias favoring shared behavior across POs. To build understanding of their relative strengths, we implement all strategies using neural networks and conduct a wide range of semi-synthetic experiments. We observe that all three approaches can lead to substantial improvements upon numerous baselines and gain insight into performance differences across various experimental settings.
DP-SSL: Towards Robust Semi-supervised Learning with A Few Labeled Samples
Authors: Jiandong Ding, Lu Zhang, Shuigeng Zhou Yi Xu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The scarcity of labeled data is a critical obstacle to deep learning. Semi-supervised learning (SSL) provides a promising way to leverage unlabeled data by pseudo labels. However, when the size of labeled data is very small (say a few labeled samples per class), SSL performs poorly and unstably, possibly due to the low quality of learned pseudo labels. In this paper, we propose a new SSL method called DP-SSL that adopts an innovative data programming (DP) scheme to generate probabilistic labels for unlabeled data. Different from existing DP methods that rely on human experts to provide initial labeling functions (LFs), we develop a multiple-choice learning~(MCL) based approach to automatically generate LFs from scratch in SSL style. With the noisy labels produced by the LFs, we design a label model to resolve the conflict and overlap among the noisy labels, and finally infer probabilistic labels for unlabeled samples. Extensive experiments on four standard SSL benchmarks show that DP-SSL can provide reliable labels for unlabeled data and achieve better classification performance on test sets than existing SSL methods, especially when only a small number of labeled samples are available. Concretely, for CIFAR-10 with only 40 labeled samples, DP-SSL achieves 93.82% annotation accuracy on unlabeled data and 93.46% classification accuracy on test data, which are higher than the SOTA results.
Transformer in Transformer
Authors: An Xiao, Enhua Wu, Jianyuan Guo, Chunjing XU, Yunhe Wang Kai Han
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Transformer is a new kind of neural architecture which encodes the input data as powerful features via the attention mechanism. Basically, the visual transformers first divide the input images into several local patches and then calculate both representations and their relationship. Since natural images are of high complexity with abundant detail and color information, the granularity of the patch dividing is not fine enough for excavating features of objects in different scales and locations. In this paper, we point out that the attention inside these local patches are also essential for building visual transformers with high performance and we explore a new architecture, namely, Transformer iN Transformer (TNT). Specifically, we regard the local patches (\eg, 16$\times$16) as “visual sentences” and present to further divide them into smaller patches (\eg, 4$\times$4) as “visual words”. The attention of each word will be calculated with other words in the given visual sentence with negligible computational costs. Features of both words and sentences will be aggregated to enhance the representation ability. Experiments on several benchmarks demonstrate the effectiveness of the proposed TNT architecture, \eg, we achieve an 81.5\% top-1 accuracy on the ImageNet, which is about 1.7\% higher than that of the state-of-the-art visual transformer with similar computational cost. The PyTorch code is available at \url{https://github.com/huawei-noah/CV-Backbones}, and the MindSpore code is available at \url{https://gitee.com/mindspore/models/tree/master/research/cv/TNT}.
Adversarial Graph Augmentation to Improve Graph Contrastive Learning
Authors: Pan Li, Cong Hao, Jennifer Neville Susheel Suresh
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Self-supervised learning of graph neural networks (GNN) is in great need because of the widespread label scarcity issue in real-world graph/network data. Graph contrastive learning (GCL), by training GNNs to maximize the correspondence between the representations of the same graph in its different augmented forms, may yield robust and transferable GNNs even without using labels. However, GNNs trained by traditional GCL often risk capturing redundant graph features and thus may be brittle and provide sub-par performance in downstream tasks. Here, we propose a novel principle, termed adversarial-GCL (\textit{AD-GCL}), which enables GNNs to avoid capturing redundant information during the training by optimizing adversarial graph augmentation strategies used in GCL. We pair AD-GCL with theoretical explanations and design a practical instantiation based on trainable edge-dropping graph augmentation. We experimentally validate AD-GCL by comparing with the state-of-the-art GCL methods and achieve performance gains of up-to~14\% in unsupervised, ~6\% in transfer and~3\% in semi-supervised learning settings overall with 18 different benchmark datasets for the tasks of molecule property regression and classification, and social network classification.
Online Control of Unknown Time-Varying Dynamical Systems
Authors: Paula Gradu, Max Simchowitz, Elad Hazan Edgar Minasyan
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We study online control of time-varying linear systems with unknown dynamics in the nonstochastic control model. At a high level, we demonstrate that this setting is \emph{qualitatively harder} than that of either unknown time-invariant or known time-varying dynamics, and complement our negative results with algorithmic upper bounds in regimes where sublinear regret is possible. More specifically, we study regret bounds with respect to common classes of policies: Disturbance Action (SLS), Disturbance Response (Youla), and linear feedback policies. While these three classes are essentially equivalent for LTI systems, we demonstrate that these equivalences break down for time-varying systems. We prove a lower bound that no algorithm can obtain sublinear regret with respect to the first two classes unless a certain measure of system variability also scales sublinearly in the horizon. Furthermore, we show that offline planning over the state linear feedback policies is NP-hard, suggesting hardness of the online learning problem. On the positive side, we give an efficient algorithm that attains a sublinear regret bound against the class of Disturbance Response policies up to the aforementioned system variability term. In fact, our algorithm enjoys sublinear \emph{adaptive} regret bounds, which is a strictly stronger metric than standard regret and is more appropriate for time-varying systems. We sketch extensions to Disturbance Action policies and partial observation, and propose an inefficient algorithm for regret against linear state feedback policies.
Contrastive Reinforcement Learning of Symbolic Reasoning Domains
Authors: WenXin Dong, Noah Goodman Gabriel Poesia
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Abstract symbolic reasoning, as required in domains such as mathematics and logic, is a key component of human intelligence. Solvers for these domains have important applications, especially to computer-assisted education. But learning to solve symbolic problems is challenging for machine learning algorithms. Existing models either learn from human solutions or use hand-engineered features, making them expensive to apply in new domains. In this paper, we instead consider symbolic domains as simple environments where states and actions are given as unstructured text, and binary rewards indicate whether a problem is solved. This flexible setup makes it easy to specify new domains, but search and planning become challenging. We introduce five environments inspired by the Mathematics Common Core Curriculum, and observe that existing Reinforcement Learning baselines perform poorly. We then present a novel learning algorithm, Contrastive Policy Learning (ConPoLe) that explicitly optimizes the InfoNCE loss, which lower bounds the mutual information between the current state and next states that continue on a path to the solution. ConPoLe successfully solves all four domains. Moreover, problem representations learned by ConPoLe enable accurate prediction of the categories of problems in a real mathematics curriculum. Our results suggest new directions for reinforcement learning in symbolic domains, as well as applications to mathematics education.
Spatial Ensemble: a Novel Model Smoothing Mechanism for Student-Teacher Framework
Authors: Yifan Sun, Xun Wang, Haotian Yao, Chi Zhang Tengteng Huang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Model smoothing is of central importance for obtaining a reliable teacher model in the student-teacher framework, where the teacher generates surrogate supervision signals to train the student. A popular model smoothing method is the Temporal Moving Average (TMA), which continuously averages the teacher parameters with the up-to-date student parameters. In this paper, we propose ''Spatial Ensemble'', a novel model smoothing mechanism in parallel with TMA. Spatial Ensemble randomly picks up a small fragment of the student model to directly replace the corresponding fragment of the teacher model. Consequentially, it stitches different fragments of historical student models into a unity, yielding the ''Spatial Ensemble'' effect. Spatial Ensemble obtains comparable student-teacher learning performance by itself and demonstrates valuable complementarity with temporal moving average. Their integration, named Spatial-Temporal Smoothing, brings general (sometimes significant) improvement to the student-teacher learning framework on a variety of state-of-the-art methods. For example, based on the self-supervised method BYOL, it yields +0.9% top-1 accuracy improvement on ImageNet, while based on the semi-supervised approach FixMatch, it increases the top-1 accuracy by around +6% on CIFAR-10 when only few training labels are available. Codes and models are available at: https://github.com/tengteng95/Spatial_Ensemble.
Probabilistic Tensor Decomposition of Neural Population Spiking Activity
Authors: Sepiedeh Keshavarzi, Troy Margrie, Maneesh Sahani Hugo Soulat
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The firing of neural populations is coordinated across cells, in time, and across experimentalconditions or repeated experimental trials; and so a full understanding of the computationalsignificance of neural responses must be based on a separation of these different contributions tostructured activity.Tensor decomposition is an approach to untangling the influence of multiple factors in data that iscommon in many fields.  However, despite some recent interest in neuroscience, wider applicabilityof the approach is hampered by the lack of a full probabilistic treatment allowing principledinference of a decomposition from non-Gaussian spike-count data.Here, we extend the Pólya-Gamma (PG) augmentation, previously used in sampling-based Bayesianinference, to implement scalable variational inference in non-conjugate spike-count models.Using this new approach, we develop techniques related to automatic relevance determination to inferthe most appropriate tensor rank, as well as to incorporate priors based on known brain anatomy suchas the segregation of cell response properties by brain area.We apply the model to neural recordings taken under conditions of visual-vestibular sensoryintegration, revealing how the encoding of self- and visual-motion signals is modulated by thesensory information available to the animal.
Recurrent Bayesian Classifier Chains for Exact Multi-Label Classification
Authors: Tom Hartvigsen, Luke Buquicchio, Emmanuel Agu, Elke A. Rundensteiner Walter Gerych
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Exact multi-label classification is the task of assigning each datapoint a set of class labels such that the assigned set exactly matches the ground truth. Optimizing for exact multi-label classification is important in domains where missing a single label can be especially costly, such as in object detection for autonomous vehicles or symptom classification for disease diagnosis. Recurrent Classifier Chains (RCCs), a recurrent neural network extension of ensemble-based classifier chains, are the state-of-the-art exact multi-label classification method for maximizing subset accuracy. However, RCCs iteratively predict classes with an unprincipled ordering, and therefore indiscriminately condition class probabilities. These disadvantages make RCCs prone to predicting inaccurate label sets. In this work we propose Recurrent Bayesian Classifier Chains (RBCCs), which learn a Bayesian network of class dependencies and leverage this network in order to condition the prediction of child nodes only on their parents. By conditioning predictions in this way, we perform principled and non-noisy class prediction.  We demonstrate the effectiveness of our RBCC method on a variety of real-world multi-label datasets, where we routinely outperform the state of the art methods for exact multi-label classification.
Wasserstein Flow Meets Replicator Dynamics: A Mean-Field Analysis of Representation Learning in Actor-Critic
Authors: Siyu Chen, Zhuoran Yang, Michael I. Jordan, Zhaoran Wang Yufeng Zhang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Actor-critic  (AC) algorithms, empowered by neural networks, have had significant empirical success in recent years. However, most of the existing theoretical support for AC algorithms focuses on the case of linear function approximations, or linearized neural networks, where the feature representation is fixed throughout training. Such a limitation fails to capture the key aspect of representation learning in neural AC, which is pivotal in practical problems. In this work, we take a mean-field perspective on the evolution and convergence of feature-based neural AC. Specifically, we consider a version of  AC where the actor and critic are represented by overparameterized two-layer neural networks and are updated with two-timescale learning rates. The critic is updated by temporal-difference (TD) learning with a larger stepsize while the actor is updated via proximal policy optimization (PPO) with a smaller stepsize. In the continuous-time and infinite-width limiting regime, when the timescales are properly separated, we prove that neural AC finds the globally optimal policy at a sublinear rate. Additionally,  we prove that the feature representation induced by the critic network is allowed to evolve within a neighborhood of the initial one.
Assessing Fairness in the Presence of Missing Data
Authors: Qi Long Yiliang Zhang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Missing data are prevalent and present daunting challenges in real data analysis. While there is a growing body of literature on fairness in analysis of fully observed data, there has been little theoretical work on investigating fairness in analysis of incomplete data. In practice, a popular analytical approach for dealing with missing data is to use only the set of complete cases, i.e., observations with all features fully observed to train a prediction algorithm. However, depending on the missing data mechanism, the distribution of complete cases and the distribution of the complete data may be substantially different. When the goal is to develop a fair algorithm in the complete data domain where there are no missing values, an algorithm that is fair in the complete case domain may show disproportionate bias towards some marginalized groups in the complete data domain. To fill this significant gap, we study the problem of estimating fairness in the complete data domain for an arbitrary model evaluated merely using complete cases. We provide upper and lower bounds on the fairness estimation error and conduct numerical experiments to assess our theoretical results. Our work provides the first known theoretical results on fairness guarantee in analysis of incomplete data.
Adversarial Attack Generation Empowered by Min-Max Optimization
Authors: Tianyun Zhang, Sijia Liu, Pin-Yu Chen, Jiacen Xu, Makan Fardad, Bo Li Jingkang Wang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The worst-case training principle that minimizes the maximal adversarial loss, also known as adversarial training (AT), has shown to be a state-of-the-art approach for enhancing adversarial robustness. Nevertheless, min-max optimization beyond the purpose of AT has not been rigorously explored in the adversarial context. In this paper, we show how a general notion of min-max optimization over multiple domains can be leveraged to the design of different types of adversarial attacks. In particular, given a set of risk sources, minimizing the worst-case attack loss can be reformulated as a min-max problem by introducing domain weights that are maximized over the probability simplex of the domain set. We showcase this unified framework in three attack generation problems -- attacking model ensembles, devising universal perturbation under multiple inputs, and crafting attacks resilient to data transformations. Extensive experiments demonstrate that our approach leads to substantial attack improvement over the existing heuristic strategies as well as robustness improvement over state-of-the-art defense methods against multiple perturbation types. Furthermore, we find that the self-adjusted domain weights learned from min-max optimization can provide a holistic tool to explain the difficulty level of attack across domains.
Safe Pontryagin Differentiable Programming
Authors: Shaoshuai Mou, George J. Pappas Wanxin Jin
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We propose a Safe Pontryagin Differentiable Programming (Safe PDP) methodology, which establishes a theoretical and algorithmic  framework to solve a broad class of safety-critical learning and control tasks---problems that require the guarantee of safety constraint satisfaction at any stage of the learning and control progress.  In the spirit of interior-point methods,   Safe PDP handles different types of system  constraints on states and inputs by incorporating them into the cost or loss through barrier functions. We prove three fundamentals  of the proposed  Safe PDP:  first, both the  solution and its gradient in the backward pass can be approximated by solving their  more efficient unconstrained counterparts;  second,   the approximation for both the  solution and its gradient can be controlled for arbitrary accuracy by a  barrier parameter;   and third,   importantly, all intermediate results throughout the approximation and optimization  strictly respect the  constraints,  thus guaranteeing safety throughout the entire learning and control process. We demonstrate the capabilities of   Safe PDP in solving various safety-critical tasks,  including safe policy optimization, safe motion planning, and learning MPCs from demonstrations, on different challenging systems such as 6-DoF maneuvering quadrotor and 6-DoF rocket powered landing.
Class-Disentanglement and Applications in Adversarial Detection and Defense
Authors: Tianyi Zhou, Yonggang Zhang, Xinmei Tian, Dacheng Tao Kaiwen Yang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: What is the minimum necessary information required by a neural net $D(\cdot)$ from an image $x$ to accurately predict its class? Extracting such information in the input space from $x$ can allocate the areas $D(\cdot)$ mainly attending to and shed novel insights to the detection and defense of adversarial attacks. In this paper, we propose ''class-disentanglement'' that trains a variational autoencoder $G(\cdot)$ to extract this class-dependent information as $x - G(x)$ via a trade-off between reconstructing $x$ by $G(x)$ and classifying $x$ by $D(x-G(x))$, where the former competes with the latter in decomposing $x$ so the latter retains only necessary information for classification in $x-G(x)$. We apply it to both clean images and their adversarial images and discover that the perturbations generated by adversarial attacks mainly lie in the class-dependent part $x-G(x)$. The decomposition results also provide novel interpretations to classification and attack models. Inspired by these observations, we propose to conduct adversarial detection and adversarial defense respectively on $x - G(x)$ and $G(x)$, which consistently outperform the results on the original $x$. In experiments, this simple approach substantially improves the detection and defense against different types of adversarial attacks.
Active 3D Shape Reconstruction from Vision and Touch
Authors: David Meger, Luis Pineda, Roberto Calandra, Jitendra Malik, Adriana Romero Soriano, Michal Drozdzal Edward Smith
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Humans build 3D understandings of the world through active object exploration, using jointly their senses of vision and touch. However, in 3D shape reconstruction, most recent progress has relied on static datasets of limited sensory data such as RGB images, depth maps or haptic readings, leaving the active exploration of the shape largely unexplored. In active touch sensing for 3D reconstruction, the goal is to actively select the tactile readings that maximize the improvement in shape reconstruction accuracy. However, the development of deep learning-based active touch models is largely limited by the lack of frameworks for shape exploration. In this paper, we focus on this problem and introduce a system composed of: 1) a haptic simulator leveraging high spatial resolution vision-based tactile sensors for active touching of 3D objects; 2) a mesh-based 3D shape reconstruction model that relies on tactile or visuotactile signals; and 3) a set of data-driven solutions with either tactile or visuotactile priors to guide the shape exploration. Our framework enables the development of the first fully data-driven solutions to active touch on top of learned models for object understanding. Our experiments show the benefits of such solutions in the task of 3D shape understanding where our models consistently outperform natural baselines. We provide our framework as a tool to foster future research in this direction.
CAPE: Encoding Relative Positions with Continuous Augmented Positional Embeddings
Authors: Qiantong Xu, Gabriel Synnaeve, Ronan Collobert, Alex Rogozhnikov Tatiana Likhomanenko
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Without positional information, attention-based Transformer neural networks are permutation-invariant. Absolute or relative positional embeddings are the most popular ways to feed Transformer models with positional information. Absolute positional embeddings are simple to implement, but suffer from generalization issues when evaluating on sequences longer than seen at training time. Relative positions are more robust to input length change, but are more complex to implement and yield inferior model throughput due to extra computational and memory costs. In this paper, we propose an augmentation-based approach (CAPE) for absolute positional embeddings, which keeps the advantages of both absolute (simplicity and speed) and relative positional embeddings (better generalization). In addition, our empirical evaluation on state-of-the-art models in machine translation, image and speech recognition demonstrates that CAPE leads to better generalization performance as well as increased stability with respect to training hyper-parameters.
Multi-armed Bandit Requiring Monotone Arm Sequences
Authors: Ningyuan Chen
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In many online learning or multi-armed bandit problems, the taken actions or pulled arms are ordinal and required to be monotone over time. Examples include dynamic pricing, in which the firms use markup pricing policies to please early adopters and deter strategic waiting, and clinical trials, in which the dose allocation usually follows the dose escalation principle to prevent dose limiting toxicities. We consider the continuum-armed bandit problem when the arm sequence is required to be monotone. We show that when the unknown objective function is Lipschitz continuous, the regret is $O(T)$. When in addition the objective function is unimodal or quasiconcave, the regret is $\tilde O(T^{3/4})$ under the proposed algorithm, which is also shown to be the optimal rate. This deviates from the optimal rate $\tilde O(T^{2/3})$ in the continuous-armed bandit literature and demonstrates the cost to the learning efficiency brought by the monotonicity requirement.
Gradient Driven Rewards to Guarantee Fairness in Collaborative Machine Learning
Authors: Lingjuan Lyu, Xingjun Ma, Chenglin Miao, Chuan Sheng Foo, Bryan Kian Hsiang Low Xinyi Xu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In collaborative machine learning(CML), multiple agents pool their resources(e.g., data) together for a common learning task. In realistic CML settings where the agents are self-interested and not altruistic, they may be unwilling to share data or model information without adequate rewards. Furthermore, as the data/model information shared by the agents may differ in quality, designing rewards which are fair to them is important so that they would not feel exploited nor discouraged from sharing. In this paper, we adopt federated learning as the CML paradigm, propose a novel cosine gradient Shapley value(CGSV) to fairly evaluate the expected marginal contribution of each agent’s uploaded model parameter update/gradient without needing an auxiliary validation dataset, and based on the CGSV, design a novel training-time gradient reward mechanism with a fairness guarantee by sparsifying the aggregated parameter update/gradient downloaded from the server as reward to each agent such that its resulting quality is commensurate to that of the agent’s uploaded parameter update/gradient. We empirically demonstrate the effectiveness of our fair gradient reward mechanism on multiple benchmark datasets in terms of fairness, predictive performance, and time overhead.
Generalizable Imitation Learning from Observation via Inferring Goal Proximity
Authors: Andrew Szot, Shao-Hua Sun, Joseph J. Lim Youngwoon Lee
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Task progress is intuitive and readily available task information that can guide an agent closer to the desired goal. Furthermore, a task progress estimator can generalize to new situations. From this intuition, we propose a simple yet effective imitation learning from observation method for a goal-directed task using a learned goal proximity function as a task progress estimator for better generalization to unseen states and goals. We obtain this goal proximity function from expert demonstrations and online agent experience, and then use the learned goal proximity as a dense reward for policy training. We demonstrate that our proposed method can robustly generalize compared to prior imitation learning methods on a set of goal-directed tasks in navigation, locomotion, and robotic manipulation, even with demonstrations that cover only a part of the states.
DualNet: Continual Learning, Fast and Slow
Authors: Chenghao Liu, Steven C. Hoi Quang Pham
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: According to Complementary Learning Systems (CLS) theory~\cite{mcclelland1995there} in neuroscience, humans do effective \emph{continual learning} through two complementary systems: a fast learning system centered on the hippocampus for rapid learning of the specifics and individual experiences, and a slow learning system located in the neocortex for the gradual acquisition of structured knowledge about the environment. Motivated by this theory, we propose a novel continual learning framework named ``DualNet", which comprises a fast learning system for supervised learning of pattern-separated representation from specific tasks and a slow learning system for unsupervised representation learning of task-agnostic general representation via a Self-Supervised Learning (SSL) technique. The two fast and slow learning systems are complementary and work seamlessly in a holistic continual learning framework. Our extensive experiments on two challenging continual learning benchmarks of CORE50 and miniImageNet show that DualNet outperforms state-of-the-art continual learning methods by a large margin. We further conduct ablation studies of different SSL objectives to validate DualNet's efficacy, robustness, and scalability. Code is publicly available at \url{https://github.com/phquang/DualNet}.