mtybilly/Instruct2DS huggingface dataset:
Heuristic-Guided Reinforcement Learning
Authors: Andrey Kolobov, Adith Swaminathan Ching-An Cheng
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We provide a framework to accelerate reinforcement learning (RL) algorithms by heuristics that are constructed by domain knowledge or offline data.  Tabula rasa RL algorithms require environment interactions or computation that scales with the horizon of the sequential decision-making task.  Using our framework, we show how heuristic-guided RL induces a much shorter horizon sub-problem that provably solves the original task. Our framework can be viewed as a horizon-based regularization for controlling bias and variance in RL under a finite interaction budget.  In theory, we characterize the properties of a good heuristic and the resulting impact on RL acceleration. In particular, we introduce the novel concept of an improvable heuristic that can allow any RL agent to conservatively extrapolate beyond its prior knowledge.  In practice, we instantiate our framework to accelerate several state-of-the-art algorithms in simulated robotic control tasks and procedurally generated games. Our framework complements the rich literature on warm-starting RL using expert demonstrations or exploratory data-sets, and creates a unified channel to inject prior knowledge into RL.
Statistical Undecidability in Linear, Non-Gaussian Causal Models in the Presence of Latent Confounders
Authors: Konstantin Genin
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: If causal relationships are linear and acyclic and noise terms are independent and Gaussian, causal orientation is not identified from observational data --- even if faithfulness is satisfied (Spirtes et al., 2002). Shimizu et al. (2006) showed that acyclic, linear, {\bf non}-Gaussian (LiNGAM) causal models {\em are} identified from observational data, so long as no latent confounders are present. That holds even when faithfulness fails. Genin and Mayo-Wilson (2020) refine that result:  not only are causal relationships identified, but causal orientation is {\em statistically decidable}. That means that for every $\epsilon>0,$ there is a method that converges in probability to the correct orientation and, at every sample size, outputs an incorrect orientation with probability less than $\epsilon.$ These results naturally raise questions about what happens in the presence of latent confounders. Hoyer et al. (2008) and Salehkaleybar et al. (2020) show that, although the causal model is not uniquely identified, causal orientation among observed variables is identified in the presence of latent confounders, so long as faithfulness is satisfied. This paper refines these results: although it is possible to converge to the right orientation in the limit, causal orientation is no longer statistically decidable---it is not possible to converge to the correct orientation with finite-sample bounds on the probability of orientation errors, even if faithfulness is satisfied. However, that limiting result suggests several adjustments to the LiNGAM model that may recover decidability.
A novel notion of barycenter for probability distributions based on optimal weak mass transport
Authors: Felipe Tobar, Joaquin Fontbona Elsa Cazelles
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We introduce weak barycenters of a family of probability distributions, based on the recently developed notion of optimal weak transport of mass by Gozlan et al. (2017) and Backhoff-Veraguas et al. (2020). We provide a theoretical analysis of this object and discuss its interpretation in the light of convex ordering between probability measures. In particular, we show that, rather than averaging the input distributions in a geometric way (as the Wasserstein barycenter based on classic optimal transport does) weak barycenters extract common geometric information shared by all the input distributions, encoded as a latent random variable that underlies all of them. We also provide an iterative algorithm to compute a weak barycenter for a finite family of input distributions, and a stochastic algorithm that computes them for arbitrary populations of laws.  The latter approach is particularly well suited for the streaming setting, i.e., when distributions are observed sequentially. The notion of weak barycenter and our approaches to compute it are illustrated on synthetic examples, validated on 2D real-world data and compared to standard Wasserstein barycenters.
Temporal-attentive Covariance Pooling Networks for Video Recognition
Authors: Qilong Wang, Bingbing Zhang, Qinghua Hu, Peihua Li Zilin Gao
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: For video recognition task, a global representation summarizing the whole contents of the video snippets plays an important role for the final performance. However, existing video architectures usually generate it by using a simple, global average pooling (GAP) method, which has limited ability to capture complex dynamics of videos. For image recognition task, there exist evidences showing that covariance pooling has stronger representation ability than GAP. Unfortunately, such plain covariance pooling used in image recognition is an orderless representative, which cannot model spatio-temporal structure inherent in videos. Therefore, this paper proposes a Temporal-attentive Covariance Pooling (TCP), inserted at the end of deep architectures, to produce powerful video representations. Specifically, our TCP first develops a temporal attention module to adaptively calibrate spatio-temporal features for the succeeding covariance pooling, approximatively producing attentive covariance representations. Then, a temporal covariance pooling performs temporal pooling of the attentive covariance representations to characterize both intra-frame correlations and inter-frame cross-correlations of the calibrated features. As such, the proposed TCP can capture complex temporal dynamics. Finally, a fast matrix power normalization is introduced to exploit geometry of covariance representations. Note that our TCP is model-agnostic and can be flexibly integrated into any video architectures, resulting in TCPNet for effective video recognition. The extensive experiments on six benchmarks (e.g., Kinetics, Something-Something V1 and Charades) using various video architectures show our TCPNet is clearly superior to its counterparts, while having strong generalization ability. The source code is publicly available.
Revisiting Smoothed Online Learning
Authors: Wei Jiang, Shiyin Lu, Tianbao Yang Lijun Zhang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In this paper, we revisit the problem of smoothed online learning, in which the online learner suffers both a hitting cost and a switching cost, and target two performance metrics: competitive ratio and dynamic regret with switching cost. To bound the competitive ratio, we assume the hitting cost is known to the learner in each round, and investigate the simple idea of balancing the two costs by an optimization problem. Surprisingly, we find that minimizing the hitting cost alone is $\max(1, \frac{2}{\alpha})$-competitive for $\alpha$-polyhedral functions and $1 + \frac{4}{\lambda}$-competitive for $\lambda$-quadratic growth functions, both of which improve state-of-the-art results significantly. Moreover, when the hitting cost is both convex and $\lambda$-quadratic growth, we reduce the competitive ratio to $1 + \frac{2}{\sqrt{\lambda}}$  by minimizing the weighted sum of the hitting cost and the switching cost. To bound the dynamic regret with switching cost, we follow the standard setting of online convex optimization, in which the hitting cost is convex but hidden from the learner before making predictions. We modify Ader, an existing algorithm designed for dynamic regret, slightly to take into account the switching cost when measuring the performance. The proposed algorithm, named as Smoothed Ader, attains an optimal $O(\sqrt{T(1+P_T)})$ bound for dynamic regret with switching cost, where $P_T$ is the path-length of the comparator sequence. Furthermore, if the hitting cost is accessible in the beginning of each round, we obtain a similar guarantee without the bounded gradient condition, and establish an $\Omega(\sqrt{T(1+P_T)})$ lower bound to confirm the optimality.
Marginalised Gaussian Processes with Nested Sampling
Authors: Vidhi Lalchand, Carl Edward Rasmussen Fergus Simpson
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Gaussian Process models are a rich distribution over functions with inductive biases controlled by a kernel function. Learning occurs through optimisation of the kernel hyperparameters using the marginal likelihood as the objective. This work proposes nested sampling as a means of marginalising kernel hyperparameters,  because it is a technique that is well-suited to exploring complex, multi-modal distributions. We benchmark against Hamiltonian Monte Carlo on time-series and two-dimensional regression tasks, finding that a principled approach to quantifying hyperparameter uncertainty substantially improves the quality of prediction intervals.
Provable Benefits of Actor-Critic Methods for Offline Reinforcement Learning
Authors: Martin J Wainwright, Emma Brunskill Andrea Zanette
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Actor-critic methods are widely used in offline reinforcement learningpractice, but are not so well-understood theoretically. We propose a newoffline actor-critic algorithm that naturally incorporates the pessimism principle, leading to several key advantages compared to the state of the art. The algorithm can operate when the Bellman evaluation operator is closed with respect to the action value function of the actor's policies; this is a more general setting than the low-rank MDP model. Despite the added generality, the procedure is computationally tractable as it involves the solution of a sequence of second-order programs.We prove an upper bound on the suboptimality gap of the policy returned by the procedure that depends on the data coverage of any arbitrary, possibly data dependent comparator policy.The achievable guarantee is complemented with a minimax lower bound that is matching up to logarithmic factors.
Bayesian Bellman Operators
Authors: Kristian Hartikainen, Shimon Whiteson Mattie Fellows
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We introduce a novel perspective on Bayesian reinforcement learning (RL); whereas existing approaches infer a posterior over the transition distribution or Q-function, we characterise the uncertainty in the Bellman operator. Our Bayesian Bellman operator (BBO) framework is motivated by the insight that when bootstrapping is introduced, model-free approaches actually infer a posterior over Bellman operators, not value functions. In this paper, we use BBO to provide a rigorous theoretical analysis of model-free Bayesian RL to better understand its relationship to established frequentist RL methodologies. We prove that Bayesian solutions are consistent with frequentist RL solutions, even when approximate inference is used, and derive conditions for which  convergence properties hold. Empirically, we demonstrate that algorithms derived from the BBO framework have sophisticated deep exploration properties that enable them to solve continuous control tasks at which state-of-the-art regularised actor-critic algorithms fail catastrophically.
Uncertainty Calibration for Ensemble-Based Debiasing Methods
Authors: Yimeng Chen, Liang Pang, Xueqi Cheng, Zhi-Ming Ma, Yanyan Lan Ruibin Xiong
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Ensemble-based debiasing methods have been shown effective in mitigating the reliance of classifiers on specific dataset bias, by exploiting the output of a bias-only model to adjust the learning target. In this paper, we focus on the bias-only model in these ensemble-based methods, which plays an important role but has not gained much attention in the existing literature. Theoretically, we prove that the debiasing performance can be damaged by inaccurate uncertainty estimations of the bias-only model. Empirically, we show that existing bias-only models fall short in producing accurate uncertainty estimations. Motivated by these findings, we propose to conduct calibration on the bias-only model, thus achieving a three-stage ensemble-based debiasing framework, including bias modeling, model calibrating, and debiasing. Experimental results on NLI and fact verification tasks show that our proposed three-stage debiasing framework consistently outperforms the traditional two-stage one in out-of-distribution accuracy.
Provably Faster Algorithms for Bilevel Optimization
Authors: Kaiyi Ji, Yingbin Liang Junjie Yang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Bilevel optimization has been widely applied in many important machine learning applications such as hyperparameter optimization and meta-learning. Recently, several momentum-based algorithms have been proposed to solve bilevel optimization problems faster. However, those momentum-based algorithms do not achieve provably better computational complexity than $\mathcal{\widetilde O}(\epsilon^{-2})$ of the SGD-based algorithm. In this paper, we propose two new algorithms for bilevel optimization, where the first algorithm adopts momentum-based recursive iterations, and the second algorithm adopts recursive gradient estimations in nested loops to decrease the variance. We show that both algorithms achieve the complexity of $\mathcal{\widetilde O}(\epsilon^{-1.5})$, which outperforms all existing algorithms by the order of magnitude. Our experiments validate our theoretical results and demonstrate the superior empirical performance of our algorithms in hyperparameter applications.
Neo-GNNs: Neighborhood Overlap-aware Graph Neural Networks for Link Prediction
Authors: Seoyoon Kim, Junhyun Lee, Jaewoo Kang, Hyunwoo J Kim Seongjun Yun
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Graph Neural Networks (GNNs) have been widely applied to various fields for learning over graph-structured data. They have shown significant improvements over traditional heuristic methods in various tasks such as node classification and graph classification. However, since GNNs heavily rely on smoothed node features rather than graph structure, they often show poor performance than simple heuristic methods in link prediction where the structural information, e.g., overlapped neighborhoods, degrees, and shortest paths, is crucial. To address this limitation, we propose Neighborhood Overlap-aware Graph Neural Networks (Neo-GNNs) that learn useful structural features from an adjacency matrix and estimate overlapped neighborhoods for link prediction. Our Neo-GNNs generalize neighborhood overlap-based heuristic methods and handle overlapped multi-hop neighborhoods. Our extensive experiments on Open Graph Benchmark datasets (OGB) demonstrate that Neo-GNNs consistently achieve state-of-the-art performance in link prediction.
Self-Supervised Multi-Object Tracking with Cross-input Consistency
Authors: Songtao He, Samuel Madden Favyen Bastani
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In this paper, we propose a self-supervised learning procedure for training a robust multi-object tracking (MOT) model given only unlabeled video. While several self-supervisory learning signals have been proposed in prior work on single-object tracking, such as color propagation and cycle-consistency, these signals are not effective for training RNN models, which are needed to achieve accurate MOT: they yield degenerate models that, for instance, always match new detections to tracks with the closest initial detections. We propose a novel self-supervisory signal that we call cross-input consistency: we construct two distinct inputs for the same sequence of video, by hiding different information about the sequence in each input. We then compute tracks in that sequence by applying an RNN model independently on each input, and train the model to produce consistent tracks across the two inputs. We evaluate our unsupervised method on MOT17 and KITTI --- remarkably, we find that, despite training only on unlabeled video, our unsupervised approach outperforms four supervised methods published in the last 1--2 years, including Tracktor++, FAMNet, GSM, and mmMOT.
Tree in Tree: from Decision Trees to Decision Graphs
Authors: Mahsa Shoaran Bingzhao Zhu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Decision trees have been widely used as classifiers in many machine learning applications thanks to their lightweight and interpretable decision process. This paper introduces Tree in Tree decision graph (TnT), a framework that extends the conventional decision tree to a more generic and powerful directed acyclic graph. TnT constructs decision graphs by recursively growing decision trees inside the internal or leaf nodes instead of greedy training. The time complexity of TnT is linear to the number of nodes in the graph, therefore it can construct decision graphs on large datasets. Compared to decision trees, we show that TnT achieves better classification performance with reduced model size, both as a stand-alone classifier and as a base-estimator in bagging/AdaBoost ensembles. Our proposed model is a novel, more efficient and accurate alternative to the widely-used decision trees.
Test-time Collective Prediction
Authors: Wenshuo Guo, Stephen Bates, Michael I. Jordan Celestine Mendler-Dünner
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: An increasingly common setting in machine learning involves multiple parties, each with their own data, who want to jointly make predictions on future test points. Agents wish to benefit from the collective expertise of the full set of agents to make better predictions than they would individually, but may not be willing to release labeled data or model parameters. In this work, we explore a decentralized mechanism to make collective predictions at test time, that is inspired by the literature in social science on human consensus-making. Building on a query model to facilitate information exchange among agents, our approach leverages each agent’s pre-trained model without relying on external validation, model retraining, or data pooling. A theoretical analysis shows that our approach recovers inverse mean-squared-error (MSE) weighting in the large-sample limit which is known to be the optimal way to combine independent, unbiased estimators. Empirically, we demonstrate that our scheme effectively combines models with differing quality across the input space: the proposed consensus prediction achieves significant gains over classical model averaging, and even outperforms weighted averaging schemes that have access to additional validation data. Finally, we propose a decentralized Jackknife procedure as a tool to evaluate the sensitivity of the collective predictions with respect to a single agent's opinion.
A Continuous Mapping For Augmentation Design
Authors: Chen Lin, Ser Nam Lim, Wanli Ouyang, Puneet Dokania, Philip Torr Keyu Tian
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Automated data augmentation (ADA) techniques have played an important role in boosting the performance of deep models. Such techniques mostly aim to optimize a parameterized distribution over a discrete augmentation space. Thus, are restricted by the discretization of the search space which normally is handcrafted. To overcome the limitations, we take the first step to constructing a continuous mapping from $\mathbb{R}^d$ to image transformations (an augmentation space). Using this mapping, we take a novel approach where 1) we pose the ADA as a continuous optimization problem over the parameters of the augmentation distribution; and 2) use Stochastic Gradient Langevin Dynamics to learn and sample augmentations. This allows us to potentially explore the space of infinitely many possible augmentations, which otherwise was not possible due to the discretization of the space. This view of ADA is radically different from the standard discretization based view of ADA, and it opens avenues for utilizing the vast efficient gradient-based algorithms available for continuous optimization problems. Results over multiple benchmarks demonstrate the efficiency improvement of this work compared with previous methods.
Neural Routing by Memory
Authors: Zhenqiang Li, Zhifeng Li, Wei Liu, Yoichi Sato Kaipeng Zhang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Recent Convolutional Neural Networks (CNNs) have achieved significant success by stacking multiple convolutional blocks, named procedures in this paper, to extract semantic features. However, they use the same procedure sequence for all inputs, regardless of the intermediate features.This paper proffers a simple yet effective idea of constructing parallel procedures and assigning similar intermediate features to the same specialized procedures in a divide-and-conquer fashion. It relieves each procedure's learning difficulty and thus leads to superior performance. Specifically, we propose a routing-by-memory mechanism for existing CNN architectures. In each stage of the network, we introduce parallel Procedural Units (PUs). A PU consists of a memory head and a procedure. The memory head maintains a summary of a type of features. For an intermediate feature, we search its closest memory and forward it to the corresponding procedure in both training and testing. In this way, different procedures are tailored to different features and therefore tackle them better.Networks with the proposed mechanism can be trained efficiently using a four-step training strategy. Experimental results show that our method improves VGGNet, ResNet, and EfficientNet's accuracies on Tiny ImageNet, ImageNet, and CIFAR-100 benchmarks with a negligible extra computational cost.
GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles
Authors: Lagnajit Pattanaik, Connor Coley, Regina Barzilay, Klavs Jensen, William Green, Tommi Jaakkola Octavian Ganea
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Prediction of a molecule’s 3D conformer ensemble from the molecular graph holds a key role in areas of cheminformatics and drug discovery. Existing generative models have several drawbacks including lack of modeling important molecular geometry elements (e.g., torsion angles), separate optimization stages prone to error accumulation, and the need for structure fine-tuning based on approximate classical force-fields or computationally expensive methods. We propose GEOMOL --- an end-to-end, non-autoregressive, and SE(3)-invariant machine learning approach to generate distributions of low-energy molecular 3D conformers. Leveraging the power of message passing neural networks (MPNNs) to capture local and global graph information, we predict local atomic 3D structures and torsion angles, avoid- ing unnecessary over-parameterization of the geometric degrees of freedom (e.g., one angle per non-terminal bond). Such local predictions suffice both for both the training loss computation and for the full deterministic conformer assembly (at test time). We devise a non-adversarial optimal transport based loss function to promote diverse conformer generation. GEOMOL predominantly outperforms popular open-source, commercial, or state-of-the-art machine learning (ML) models, while achieving significant speed-ups. We expect such differentiable 3D structure generators to significantly impact molecular modeling and related applications.
CANITA: Faster Rates for Distributed Convex Optimization with Communication Compression
Authors: Peter Richtarik Zhize Li
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Due to the high communication cost in distributed and federated learning, methods relying on compressed communication are becoming increasingly popular. Besides, the best theoretically and practically performing gradient-type methods invariably rely on some form of acceleration/momentum to reduce the number of communications (faster convergence), e.g., Nesterov's accelerated gradient descent [31, 32] and Adam [14]. In order to combine the benefits of communication compression and convergence acceleration, we propose a \emph{compressed and accelerated} gradient method based on ANITA [20] for distributed optimization, which we call CANITA. Our CANITA achieves the \emph{first accelerated rate} $O\bigg(\sqrt{\Big(1+\sqrt{\frac{\omega^3}{n}}\Big)\frac{L}{\epsilon}} + \omega\big(\frac{1}{\epsilon}\big)^{\frac{1}{3}}\bigg)$, which improves upon the state-of-the-art non-accelerated rate  $O\left((1+\frac{\omega}{n})\frac{L}{\epsilon} + \frac{\omega^2+\omega}{\omega+n}\frac{1}{\epsilon}\right)$ of DIANA [12] for distributed general convex problems, where $\epsilon$ is the target error,  $L$ is the smooth parameter of the objective, $n$ is the number of machines/devices, and $\omega$ is the compression parameter (larger $\omega$ means more compression can be applied, and no compression implies $\omega=0$). Our results show that as long as the number of devices $n$ is large (often true in distributed/federated learning), or the compression $\omega$ is not very high,  CANITA achieves the faster convergence rate $O\Big(\sqrt{\frac{L}{\epsilon}}\Big)$, i.e., the number of communication rounds is $O\Big(\sqrt{\frac{L}{\epsilon}}\Big)$ (vs. $O\big(\frac{L}{\epsilon}\big)$ achieved by previous works). As a result, CANITA enjoys the advantages of both compression (compressed communication in each round) and acceleration (much fewer communication rounds).
Drop-DTW: Aligning Common Signal Between Sequences While Dropping Outliers
Authors: Isma Hadji, Konstantinos G. Derpanis, Animesh Garg, Allan D. Jepson Mikita Dvornik
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In this work, we consider the problem of sequence-to-sequence alignment for signals containing outliers.  Assuming the absence of outliers, the standard Dynamic Time Warping (DTW) algorithm efficiently computes the optimal alignment between two (generally) variable-length sequences.  While DTW is robust to temporal shifts and dilations of the signal, it fails to align sequences in a meaningful way in the presence of outliers that can be arbitrarily interspersed in the sequences.  To address this problem, we introduce Drop-DTW, a novel algorithm that aligns the common signal between the sequences while automatically dropping the outlier elements from the matching.  The entire procedure is implemented as a single dynamic program that is efficient and fully differentiable.  In our experiments, we show that Drop-DTW is a robust similarity measure for sequence retrieval and demonstrate its effectiveness as a training loss on diverse applications. With Drop-DTW, we address temporal step localization on instructional videos, representation learning from noisy videos, and cross-modal representation learning for audio-visual retrieval and localization. In all applications, we take a weakly- or unsupervised approach and demonstrate state-of-the-art results under these settings.
Safe Reinforcement Learning with Natural Language Constraints
Authors: Michael Y Hu, Yinlam Chow, Peter J Ramadge, Karthik Narasimhan Tsung-Yen Yang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: While safe reinforcement learning (RL) holds great promise for many practical applications like robotics or autonomous cars, current approaches require specifying constraints in mathematical form. Such specifications demand domain expertise, limiting the adoption of safe RL. In this paper, we propose learning to interpret natural language constraints for safe RL. To this end, we first introduce HAZARDWORLD, a new multi-task benchmark that requires an agent to optimize reward while not violating constraints specified in free-form text. We then develop an agent with a modular architecture that can interpret and adhere to such textual constraints while learning new tasks. Our model consists of (1) a constraint interpreter that encodes textual constraints into spatial and temporal representations of forbidden states, and (2) a policy network that uses these representations to produce a policy achieving minimal constraint violations during training. Across different domains in HAZARDWORLD, we show that our method achieves higher rewards (up to11x) and fewer constraint violations (by 1.8x) compared to existing approaches. However, in terms of absolute performance, HAZARDWORLD still poses significant challenges for agents to learn efficiently, motivating the need for future work.
Compositional Modeling of Nonlinear Dynamical Systems with ODE-based Random Features
Authors: Mauricio Álvarez Thomas McDonald
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Effectively modeling phenomena present in highly nonlinear dynamical systems whilst also accurately quantifying uncertainty is a challenging task, which often requires problem-specific techniques. We present a novel, domain-agnostic approach to tackling this problem, using compositions of physics-informed random features, derived from ordinary differential equations. The architecture of our model leverages recent advances in approximate inference for deep Gaussian processes, such as layer-wise weight-space approximations which allow us to incorporate random Fourier features, and stochastic variational inference for approximate Bayesian inference. We provide evidence that our model is capable of capturing highly nonlinear behaviour in real-world multivariate time series data. In addition, we find that our approach achieves comparable performance to a number of other probabilistic models on benchmark regression tasks.
Implicit Semantic Response Alignment for Partial Domain Adaptation
Authors: Zhengming Ding, Hongfu Liu Wenxiao Xiao
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Partial Domain Adaptation (PDA) addresses the unsupervised domain adaptation problem where the target label space is a subset of the source label space. Most state-of-art PDA methods tackle the inconsistent label space by assigning weights to classes or individual samples, in an attempt to discard the source data that belongs to the irrelevant classes. However, we believe samples from those extra categories would still contain valuable information to promote positive transfer. In this paper, we propose the Implicit Semantic Response Alignment to explore the intrinsic relationships among different categories by applying a weighted schema on the feature level. Specifically, we design a class2vec module to extract the implicit semantic topics from the visual features. With an attention layer, we calculate the semantic response according to each implicit semantic topic. Then semantic responses of source and target data are aligned to retain the relevant information contained in multiple categories by weighting the features, instead of samples. Experiments on several cross-domain benchmark datasets demonstrate the effectiveness of our method over the state-of-the-art PDA methods. Moreover, we elaborate in-depth analyses to further explore implicit semantic alignment.
ToAlign: Task-Oriented Alignment for Unsupervised Domain Adaptation
Authors: Cuiling Lan, Wenjun Zeng, Zhizheng Zhang, Zhibo Chen Guoqiang Wei
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Unsupervised domain adaptive classifcation intends to improve the classifcation performance on unlabeled target domain. To alleviate the adverse effect of domain shift, many approaches align the source and target domains in the feature space. However, a feature is usually taken as a whole for alignment without explicitly making domain alignment proactively serve the classifcation task, leading to sub-optimal solution. In this paper, we propose an effective Task-oriented Alignment (ToAlign) for unsupervised domain adaptation (UDA). We study what features should be aligned across domains and propose to make the domain alignment proactively serve classifcation by performing feature decomposition and alignment under the guidance of the prior knowledge induced from the classifcation task itself. Particularly, we explicitly decompose a feature in the source domain into a task-related/discriminative feature that should be aligned, and a task-irrelevant feature that should be avoided/ignored, based on the classifcation meta-knowledge. Extensive experimental results on various benchmarks (e.g., Offce-Home, Visda-2017, and DomainNet) under different domain adaptation settings demonstrate the effectiveness of ToAlign which helps achieve the state-of-the-art performance. The code is publicly available at https://github.com/microsoft/UDA.
Prior-independent Dynamic Auctions for a Value-maximizing Buyer
Authors: Hanrui Zhang Yuan Deng
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We study prior-independent dynamic auction design with production costs for a value-maximizing buyer, a paradigm that is becoming prevalent recently following the development of automatic bidding algorithms in advertising platforms. In contrast to a utility-maximizing buyer, who maximizes the difference between her total value and total payment, a value-maximizing buyer aims to maximize her total value subject to a return on investment (ROI) constraint. Our main result is a dynamic mechanism with regret $\tilde{O}(T^{2/3})$, where $T$ is the time horizon, against the first-best benchmark, i.e., the maximum amount of revenue the seller can extract assuming all values of the buyer are publicly known.
Safe Reinforcement Learning by Imagining the Near Future
Authors: Yuping Luo, Tengyu Ma Garrett Thomas
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Safe reinforcement learning is a promising path toward applying reinforcement learning algorithms to real-world problems, where suboptimal behaviors may lead to actual negative consequences. In this work, we focus on the setting where unsafe states can be avoided by planning ahead a short time into the future. In this setting, a model-based agent with a sufficiently accurate model can avoid unsafe states.We devise a model-based algorithm that heavily penalizes unsafe trajectories, and derive guarantees that our algorithm can avoid unsafe states under certain assumptions. Experiments demonstrate that our algorithm can achieve competitive rewards with fewer safety violations in several continuous control tasks.
Contrastive Active Inference
Authors: Tim Verbelen, Bart Dhoedt Pietro Mazzaglia
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Active inference is a unifying theory for perception and action resting upon the idea that the brain maintains an internal model of the world by minimizing free energy. From a behavioral perspective, active inference agents can be seen as self-evidencing beings that act to fulfill their optimistic predictions, namely preferred outcomes or goals. In contrast, reinforcement learning requires human-designed rewards to accomplish any desired outcome. Although active inference could provide a more natural self-supervised objective for control, its applicability has been limited because of the shortcomings in scaling the approach to complex environments. In this work, we propose a contrastive objective for active inference that strongly reduces the computational burden in learning the agent's generative model and planning future actions. Our method performs notably better than likelihood-based active inference in image-based tasks, while also being computationally cheaper and easier to train. We compare to reinforcement learning agents that have access to human-designed reward functions, showing that our approach closely matches their performance. Finally, we also show that contrastive methods perform significantly better in the case of distractors in the environment and that our method is able to generalize goals to variations in the background.
Overparameterization Improves Robustness to Covariate Shift in High Dimensions
Authors: Ben Adlam, Jeffrey Pennington Nilesh Tripuraneni
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: A significant obstacle in the development of robust machine learning models is \emph{covariate shift}, a form of distribution shift that occurs when the input distributions of the training and test sets differ while the conditional label distributions remain the same. Despite the prevalence of covariate shift in real-world applications, a theoretical understanding in the context of modern machine learning has remained lacking. In this work, we examine the exact high-dimensional asymptotics of random feature regression under covariate shift and present a precise characterization of the limiting test error, bias, and variance in this setting. Our results motivate a natural partial order over covariate shifts that provides a sufficient condition for determining when the shift will harm (or even help) test performance. We find that overparameterized models exhibit enhanced robustness to covariate shift, providing one of the first theoretical explanations for this ubiquitous empirical phenomenon. Additionally, our analysis reveals an exact linear relationship between the in-distribution and out-of-distribution generalization performance, offering an explanation for this surprising recent observation.
Logarithmic Regret in Feature-based Dynamic Pricing
Authors: Yu-Xiang Wang Jianyu Xu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Feature-based dynamic pricing is an increasingly popular model of setting prices for highly differentiated products with applications in digital marketing, online sales, real estate and so on. The problem was formally studied as an online learning problem [Javanmard & Nazerzadeh, 2019] where a seller needs to propose prices on the fly for a sequence of $T$ products based on their features $x$ while having a small regret relative to the best ---"omniscient"--- pricing strategy she could have come up with in hindsight. We revisit this problem and provide two algorithms (EMLP and ONSP) for stochastic and adversarial feature settings, respectively, and prove the optimal $O(d\log{T})$ regret bounds for both. In comparison, the best existing results are $O\left(\min\left\{\frac{1}{\lambda_{\min}^2}\log{T}, \sqrt{T}\right\}\right)$ and $O(T^{2/3})$ respectively, with $\lambda_{\min}$ being the smallest eigenvalue of $\mathbb{E}[xx^T]$ that could be arbitrarily close to $0$.  We also prove an $\Omega(\sqrt{T})$ information-theoretic lower bound for a slightly more general setting, which demonstrates that "knowing-the-demand-curve" leads to an exponential improvement in feature-based dynamic pricing.
Dimension-free empirical entropy estimation
Authors: Aryeh Kontorovich, Aaron Koolyk, Geoffrey Wolfer Doron Cohen
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We seek an entropy estimator for discrete distributions with fully empirical accuracy bounds. As stated, this goal is infeasible without some prior assumptions on the distribution. We discover that a certain information moment assumption renders the problem feasible. We argue that the moment assumption is natural and, in some sense, {\em minimalistic} --- weaker than finite support or tail decay conditions. Under the moment assumption, we provide the first finite-sample entropy estimates for infinite alphabets, nearly recovering the known minimax rates. Moreover, we demonstrate that our empirical bounds are significantly sharper than the state-of-the-art bounds, for various natural distributions and non-trivial sample regimes. Along the way, we give a dimension-free analogue of the Cover-Thomas result on entropy continuity (with respect to total variation distance) for finite alphabets, which may be of independent interest.
Towards Biologically Plausible Convolutional Networks
Authors: Yash Mehta, Timothy Lillicrap, Peter E Latham Roman Pogodin
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Convolutional networks are ubiquitous in deep learning. They are particularly useful for images, as they reduce the number of parameters, reduce training time, and increase accuracy. However, as a model of the brain they are seriously problematic, since they require weight sharing - something real neurons simply cannot do. Consequently, while neurons in the brain can be locally connected (one of the features of convolutional networks), they cannot be convolutional. Locally connected but non-convolutional networks, however, significantly underperform convolutional ones. This is troublesome for studies that use convolutional networks to explain activity in the visual system. Here we study plausible alternatives to weight sharing that aim at the same regularization principle, which is to make each neuron within a pool react similarly to identical inputs. The most natural way to do that is by showing the network multiple translations of the same image, akin to saccades in animal vision. However, this approach requires many translations, and doesn't remove the performance gap. We propose instead to add lateral connectivity to a locally connected network, and allow learning via Hebbian plasticity. This requires the network to pause occasionally for a sleep-like phase of "weight sharing". This method enables locally connected networks to achieve nearly convolutional performance on ImageNet and improves their fit to the ventral stream data, thus supporting convolutional networks as a model of the visual stream.
DynamicViT: Efficient Vision Transformers with Dynamic Token Sparsification
Authors: Wenliang Zhao, Benlin Liu, Jiwen Lu, Jie Zhou, Cho-Jui Hsieh Yongming Rao
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Attention is sparse in vision transformers. We observe the final prediction in vision transformers is only based on a subset of most informative tokens, which is sufficient for accurate image recognition. Based on this observation, we propose a dynamic token sparsification framework to prune redundant tokens progressively and dynamically based on the input. Specifically, we devise a lightweight prediction module to estimate the importance score of each token given the current features. The module is added to different layers to prune redundant tokens hierarchically. To optimize the prediction module in an end-to-end manner, we propose an attention masking strategy to differentiably prune a token by blocking its interactions with other tokens. Benefiting from the nature of self-attention, the unstructured sparse tokens are still hardware friendly, which makes our framework easy to achieve actual speed-up. By hierarchically pruning 66% of the input tokens, our method greatly reduces 31% $\sim$ 37%  FLOPs and improves the throughput by over 40% while the drop of accuracy is within 0.5% for various vision transformers. Equipped with the dynamic token sparsification framework,  DynamicViT models can achieve very competitive complexity/accuracy trade-offs compared to state-of-the-art CNNs and vision transformers on ImageNet. Code is available at https://github.com/raoyongming/DynamicViT
Learning Transferable Adversarial Perturbations
Authors: Mathieu Salzmann Krishna kanth Nakka
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: While effective, deep neural networks (DNNs) are vulnerable to adversarial attacks. In particular, recent work has shown that such attacks could be generated by another deep network, leading to significant speedups over optimization-based perturbations. However, the ability of such generative methods to generalize to different test-time situations has not been systematically studied. In this paper, we, therefore, investigate the transferability of generated perturbations when the conditions at inference time differ from the training ones in terms of the target architecture, target data, and target task. Specifically, we identify the mid-level features extracted by the intermediate layers of DNNs as common ground across different architectures, datasets, and tasks. This lets us introduce a loss function based on such mid-level features to learn an effective, transferable perturbation generator. Our experiments demonstrate that our approach outperforms the state-of-the-art universal and transferable attack strategies.
PortaSpeech: Portable and High-Quality Generative Text-to-Speech
Authors: Jinglin Liu, Zhou Zhao Yi Ren
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Non-autoregressive text-to-speech (NAR-TTS) models such as FastSpeech 2 and Glow-TTS can synthesize high-quality speech from the given text in parallel. After analyzing two kinds of generative NAR-TTS models (VAE and normalizing flow), we find that: VAE is good at capturing the long-range semantics features (e.g., prosody) even with small model size but suffers from blurry and unnatural results; and normalizing flow is good at reconstructing the frequency bin-wise details but performs poorly when the number of model parameters is limited. Inspired by these observations, to generate diverse speech with natural details and rich prosody using a lightweight architecture, we propose PortaSpeech, a portable and high-quality generative text-to-speech model. Specifically, 1) to model both the prosody and mel-spectrogram details accurately, we adopt a lightweight VAE with an enhanced prior followed by a flow-based post-net with strong conditional inputs as the main architecture. 2) To further compress the model size and memory footprint, we introduce the grouped parameter sharing mechanism to the affine coupling layers in the post-net. 3) To improve the expressiveness of synthesized speech and reduce the dependency on accurate fine-grained alignment between text and speech, we propose a linguistic encoder with mixture alignment combining hard word-level alignment and soft phoneme-level alignment, which explicitly extracts word-level semantic information.  Experimental results show that PortaSpeech outperforms other TTS models in both voice quality and prosody modeling in terms of subjective and objective evaluation metrics, and shows only a slight performance degradation when reducing the model parameters to 6.7M (about 4x model size and 3x runtime memory compression ratio compared with FastSpeech 2). Our extensive ablation studies demonstrate that each design in PortaSpeech is effective.