mtybilly/Instruct2DS huggingface dataset:
Robust Recovery via Implicit Bias of Discrepant Learning Rates for Double Over-parameterization
Authors: Zhihui Zhu, Qing Qu, Yi Ma Chong You
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Recent advances have shown that implicit bias of gradient descent on over-parameterized models enables the recovery of low-rank matrices from linear measurements, even with no prior knowledge on the intrinsic rank. In contrast, for {\em robust} low-rank matrix recovery from {\em grossly corrupted} measurements, over-parameterization leads to overfitting without prior knowledge on both the intrinsic rank and sparsity of corruption. This paper shows that with a {\em double over-parameterization} for both the low-rank matrix and sparse corruption, gradient descent with {\em discrepant learning rates} provably recovers the underlying matrix even without prior knowledge on neither rank of the matrix nor sparsity of the corruption. We further extend our approach for the robust recovery of natural images by over-parameterizing images with deep convolutional networks. Experiments show that our method handles different test images and varying corruption levels with a single learning pipeline where the network width and termination conditions do not need to be adjusted on a case-by-case basis. Underlying the success is again the implicit bias with discrepant learning rates on different over-parameterized parameters, which may bear on broader applications.
Axioms for Learning from Pairwise Comparisons
Authors: Dominik Peters, Ariel D Procaccia Ritesh Noothigattu
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: To be well-behaved, systems that process preference data must satisfy certain conditions identified by economic decision theory and by social choice theory. In ML, preferences and rankings are commonly learned by fitting a probabilistic model to noisy preference data. The behavior of this learning process from the view of economic theory has previously been studied for the case where the data consists of rankings. In practice, it is more common to have only pairwise comparison data, and the formal properties of the associated learning problem are more challenging to analyze. We show that a large class of random utility models (including the Thurstone–Mosteller Model), when estimated using the MLE, satisfy a Pareto efficiency condition. These models also satisfy a strong monotonicity property, which implies that the learning process is responsive to input data. On the other hand, we show that these models fail certain other consistency conditions from social choice theory, and in particular do not always follow the majority opinion. Our results inform existing and future applications of random utility models for societal decision making.
Continuous Regularized Wasserstein Barycenters
Authors: Aude Genevay, Mikhail Yurochkin, Justin M Solomon Lingxiao Li
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Wasserstein barycenters provide a geometrically meaningful way to aggregate probability distributions, built on the theory of optimal transport. They are difficult to compute in practice, however, leading previous work to restrict their supports to finite sets of points. Leveraging a new dual formulation for the regularized Wasserstein barycenter problem, we introduce a stochastic algorithm that constructs a continuous approximation of the barycenter. We establish strong duality and use the corresponding primal-dual relationship to parametrize the barycenter implicitly using the dual potentials of regularized transport problems. The resulting problem can be solved with stochastic gradient descent, which yields an efficient online algorithm to approximate the barycenter of continuous distributions given sample access. We demonstrate the effectiveness of our approach and compare against previous work on synthetic examples and real-world applications.
Spectral Temporal Graph Neural Network for Multivariate Time-series Forecasting
Authors: Yujing Wang, Juanyong Duan, Ce Zhang, Xia Zhu, Congrui Huang, Yunhai Tong, Bixiong Xu, Jing Bai, Jie Tong, Qi Zhang Defu Cao
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Multivariate time-series forecasting plays a crucial role in many real-world applications. It is a challenging problem as one needs to consider both intra-series temporal correlations and inter-series correlations simultaneously. Recently, there have been multiple works trying to capture both correlations, but most, if not all of them only capture temporal correlations in the time domain and resort to pre-defined priors as inter-series relationships.
In this paper, we propose Spectral Temporal Graph Neural Network (StemGNN) to further improve the accuracy of multivariate time-series forecasting. StemGNN captures inter-series correlations and temporal dependencies jointly in the spectral domain. It combines Graph Fourier Transform (GFT) which models inter-series correlations and Discrete Fourier Transform (DFT) which models temporal dependencies in an end-to-end framework. After passing through GFT and DFT, the spectral representations hold clear patterns and can be predicted effectively by convolution and sequential learning modules. Moreover, StemGNN learns inter-series correlations automatically from the data without using pre-defined priors. We conduct extensive experiments on ten real-world datasets to demonstrate the effectiveness of StemGNN.
Online Multitask Learning with Long-Term Memory
Authors: Stephen Pasteris, Lisa Tse Mark Herbster
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: We introduce a novel online multitask setting. In this setting each task is partitioned into a sequence of segments that is unknown to the learner. Associated with each segment is a hypothesis from some hypothesis class. We give algorithms that are designed to exploit the scenario where there are many such segments but significantly fewer associated hypotheses. We prove regret bounds that hold for any segmentation of the tasks and any association of hypotheses to the segments. In the single-task setting this is equivalent to switching with long-term memory in the sense of [Bousquet and Warmuth 2011]. We provide an algorithm that predicts on each trial in time linear in the number of hypotheses when the hypothesis class is finite. We also consider infinite hypothesis classes from reproducing kernel Hilbert spaces for which we give an algorithm whose per trial time complexity is cubic in the number of cumulative trials. In the single-task special case this is the first example of an efficient regret-bounded switching algorithm with long-term memory for a non-parametric hypothesis class.
Fewer is More: A Deep Graph Metric Learning Perspective Using Fewer Proxies
Authors: Muli Yang, Cheng Deng, Wei Liu Yuehua Zhu
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Deep metric learning plays a key role in various machine learning tasks. Most of the previous works have been confined to sampling from a mini-batch, which cannot precisely characterize the global geometry of the embedding space. Although researchers have developed proxy- and classification-based methods to tackle the sampling issue, those methods inevitably incur a redundant computational cost. In this paper, we propose a novel Proxy-based deep Graph Metric Learning (ProxyGML) approach from the perspective of graph classification, which uses fewer proxies yet achieves better comprehensive performance. Specifically, multiple global proxies are leveraged to collectively approximate the original data points for each class. To efficiently capture local neighbor relationships, a small number of such proxies are adaptively selected to construct similarity subgraphs between these proxies and each data point. Further, we design a novel reverse label propagation algorithm, by which the neighbor relationships are adjusted according to ground-truth labels, so that a discriminative metric space can be learned during the process of subgraph classification. Extensive experiments carried out on widely-used CUB-200-2011, Cars196, and Stanford Online Products datasets demonstrate the superiority of the proposed ProxyGML over the state-of-the-art methods in terms of both effectiveness and efficiency. The source code is publicly available at \url{https://github.com/YuehuaZhu/ProxyGML}.
Adaptive Graph Convolutional Recurrent Network for Traffic Forecasting
Authors: Lina Yao, Can Li, Xianzhi Wang, Can Wang LEI BAI
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Modeling complex spatial and temporal correlations in the correlated time series data is indispensable for understanding the traffic dynamics and predicting the future status of an evolving traffic system. Recent works focus on designing complicated graph neural network architectures to capture shared patterns with the help of pre-defined graphs. In this paper, we argue that learning node-specific patterns is essential for traffic forecasting while pre-defined graph is avoidable.
To this end, we propose two adaptive modules for enhancing Graph Convolutional Network (GCN) with new capabilities: 1) a Node Adaptive Parameter Learning (NAPL) module to capture node-specific patterns; 2) a Data Adaptive Graph Generation (DAGG) module to infer the inter-dependencies among different traffic series automatically. We further propose an Adaptive Graph Convolutional Recurrent Network (AGCRN) to capture fine-grained spatial and temporal correlations in traffic series automatically based on the two modules and recurrent networks. Our experiments on two real-world traffic datasets show AGCRN outperforms state-of-the-art by a significant margin without pre-defined graphs about spatial connections.
On Reward-Free Reinforcement Learning with Linear Function Approximation
Authors: Simon S Du, Lin Yang, Ruslan Salakhutdinov Ruosong Wang
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Reward-free reinforcement learning (RL) is a framework which is suitable for both the batch RL setting and the setting where there are many reward functions of interest. During the exploration phase, an agent collects samples without using a pre-specified reward function. After the exploration phase, a reward function is given, and the agent uses samples collected during the exploration phase to compute a near-optimal policy. Jin et al. [2020] showed that in the tabular setting, the agent only needs to collect polynomial number of samples (in terms of the number states, the number of actions, and the planning horizon) for reward-free RL. However, in practice, the number of states and actions can be large, and thus function approximation schemes are required for generalization. In this work, we give both positive and negative results for reward-free RL with linear function approximation. We give an algorithm for reward-free RL in the linear Markov decision process setting where both the transition and the reward admit linear representations. The sample complexity of our algorithm is polynomial in the feature dimension and the planning horizon, and is completely independent of the number of states and actions. We further give an exponential lower bound for reward-free RL in the setting where only the optimal $Q$-function admits a linear representation. Our results imply several interesting exponential separations on the sample complexity of reward-free RL.
Robustness of Community Detection to Random Geometric Perturbations
Authors: Vianney Perchet Sandrine Peche
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: We consider the stochastic block model where connection between vertices is perturbed by some latent (and unobserved) random geometric graph. The objective is to prove that spectral methods are robust to this type of noise, even if they are agnostic to the presence (or not) of the random graph. We provide explicit regimes where the  second eigenvector of the adjacency matrix is highly correlated to the true community vector (and therefore when weak/exact recovery is possible). This is possible thanks to a detailed analysis of the spectrum of the latent random graph, of its own interest.
Learning outside the Black-Box: The pursuit of interpretable models
Authors: Yao Zhang, William Zame, Mihaela van der Schaar Jonathan Crabbe
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Machine learning has proved its ability to produce accurate models -- but the deployment of these models outside the machine learning community has been hindered by the difficulties of interpreting these models. This paper proposes an algorithm that produces a continuous global interpretation of any given continuous black-box function. Our algorithm employs a variation of projection pursuit in which the ridge functions are chosen to be Meijer G-functions, rather than the usual polynomial splines. Because Meijer G-functions are differentiable in their parameters, we can "tune" the parameters of the representation by gradient descent; as a consequence, our algorithm is efficient. Using five familiar data sets from the UCI repository and two familiar machine learning algorithms, we demonstrate that our algorithm produces global interpretations that are both faithful (highly accurate) and parsimonious (involve a small number of terms). Our interpretations permit easy understanding of the relative importance of features and feature interactions. Our interpretation algorithm represents a leap forward from the previous state of the art.
Breaking Reversibility Accelerates Langevin Dynamics for Non-Convex Optimization
Authors: Mert Gurbuzbalaban, Lingjiong Zhu Xuefeng GAO
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Langevin dynamics (LD) has been proven to be a powerful technique for optimizing a non-convex objective as an efficient algorithm to find local minima while eventually visiting a global minimum on longer time-scales. LD is based on the first-order Langevin diffusion which is reversible in time. We study two variants that are based on non-reversible Langevin diffusions: the underdamped Langevin dynamics (ULD) and the Langevin dynamics with a non-symmetric drift (NLD). Adopting the techniques of Tzen et al. (2018) for LD to non-reversible diffusions, we show that for a given local minimum that is within an arbitrary distance from the initialization, with high probability, either the ULD trajectory ends up somewhere outside a small neighborhood of this local minimum within a recurrence time which depends on the smallest eigenvalue of the Hessian at the local minimum or they enter this neighborhood by the recurrence time and stay there for a potentially exponentially long escape time. The ULD algorithm improves upon the recurrence time obtained for LD in Tzen et al. (2018) with respect to the dependency on the smallest eigenvalue of the Hessian at the local minimum. Similar results and improvements are obtained for the NLD algorithm. We also show that non-reversible variants can exit the basin of attraction of a local minimum faster in discrete time when the objective has two local minima separated by a saddle point and quantify the amount of improvement. Our analysis suggests that non-reversible Langevin algorithms are more efficient to locate a local minimum as well as exploring the state space.
Robust large-margin learning in hyperbolic space
Authors: Manzil Zaheer, Ankit Singh Rawat, Aditya K Menon, Sanjiv Kumar Melanie Weber
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Recently, there has been a surge of interest in representation learning in hyperbolic spaces, driven by their ability to represent hierarchical data with significantly fewer dimensions than standard Euclidean spaces. However, the viability and benefits of hyperbolic spaces for downstream machine learning tasks have received less attention. In this paper, we present, to our knowledge, the first theoretical guarantees for learning a classifier in hyperbolic rather than Euclidean space. Specifically, we consider the problem of learning a large-margin classifier for data possessing a hierarchical structure. Our first contribution is a hyperbolic perceptron algorithm, which provably converges to a separating hyperplane. We then provide an algorithm to efficiently learn a large-margin hyperplane, relying on the careful injection of adversarial examples. Finally, we prove that for hierarchical data that embeds well into hyperbolic space, the low embedding dimension ensures superior guarantees when learning the classifier directly in hyperbolic space.
Replica-Exchange Nos\'e-Hoover Dynamics for Bayesian Learning on Large Datasets
Authors: Qiang Zhang, Yaodong Yang, Jun Wang Rui Luo
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: In this paper, we present a new practical method for Bayesian learning that can rapidly draw representative samples from complex posterior distributions with multiple isolated modes in the presence of mini-batch noise.
This is achieved by simulating a collection of replicas in parallel with different temperatures and periodically swapping them.
When evolving the replicas' states, the Nos\'e-Hoover dynamics is applied, which adaptively neutralizes the mini-batch noise.
To perform proper exchanges, a new protocol is developed with a noise-aware test of acceptance, by which the detailed balance is reserved in an asymptotic way.
While its efficacy on complex multimodal posteriors has been illustrated by testing over synthetic distributions, experiments with deep Bayesian neural networks on large-scale datasets have shown its significant improvements over strong baselines.
Adversarially Robust Few-Shot Learning: A Meta-Learning Approach
Authors: Liam Fowl, Tom Goldstein Micah Goldblum
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Previous work on adversarially robust neural networks for image classification requires large training sets and computationally expensive training procedures.  On the other hand, few-shot learning methods are highly vulnerable to adversarial examples.  The goal of our work is to produce networks which both perform well at few-shot classification tasks and are simultaneously robust to adversarial examples.  We develop an algorithm, called Adversarial Querying (AQ), for producing adversarially robust meta-learners, and we thoroughly investigate the causes for adversarial vulnerability.  Moreover, our method achieves far superior robust performance on few-shot image classification tasks, such as Mini-ImageNet and CIFAR-FS, than robust transfer learning.
Neural Anisotropy Directions
Authors: Apostolos Modas, Seyed-Mohsen Moosavi, Pascal Frossard Guillermo Ortiz-Jimenez
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: In this work, we analyze the role of the network architecture in shaping the inductive bias of deep classifiers. To that end, we start by focusing on a very simple problem, i.e., classifying a class of linearly separable distributions, and show that, depending on the direction of the discriminative feature of the distribution, many state-of-the-art deep convolutional neural networks (CNNs) have a surprisingly hard time solving this simple task. We then define as neural anisotropy directions (NADs) the vectors that encapsulate the directional inductive bias of an architecture. These vectors, which are specific for each architecture and hence act as a signature, encode the preference of a network to separate the input data based on some particular features. We provide an efficient method to identify NADs for several CNN architectures and thus reveal their directional inductive biases. Furthermore, we show that, for the CIFAR-10 dataset, NADs characterize the features used by CNNs to discriminate between different classes.
Digraph Inception Convolutional Networks
Authors: Yuxuan Liang, Changsheng Sun, Xinke Li, David Rosenblum, Andrew Lim Zekun Tong
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Graph Convolutional Networks (GCNs) have shown promising results in modeling graph-structured data. However, they have difficulty with processing digraphs because of two reasons: 1) transforming directed to undirected graph to guarantee the symmetry of graph Laplacian is not reasonable since it not only misleads message passing scheme to aggregate incorrect weights but also deprives the unique characteristics of digraph structure; 2) due to the fixed receptive field in each layer, GCNs fail to obtain multi-scale features that can boost their performance. In this paper, we theoretically extend spectral-based graph convolution to digraphs and derive a simplified form using personalized PageRank. Specifically, we present the Digraph Inception Convolutional Networks (DiGCN) which utilizes digraph convolution and kth-order proximity to achieve larger receptive fields and learn multi-scale features in digraphs. We empirically show that DiGCN can encode more structural information from digraphs than GCNs and help achieve better performance when generalized to other models. Moreover, experiments on various benchmarks demonstrate its superiority against the state-of-the-art methods.
PAC-Bayesian Bound for the Conditional Value at Risk
Authors: Benjamin Guedj, Robert C. Williamson Zakaria Mhammedi
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Conditional Value at Risk ($\textsc{CVaR}$) is a ``coherent risk measure'' which generalizes expectation (reduced to a boundary parameter setting). 
Widely used in mathematical finance, it is garnering increasing interest in machine learning as an alternate approach to regularization, and as a means for ensuring fairness.  
This paper presents a generalization bound for learning algorithms that minimize the $\textsc{CVaR}$ of the empirical loss. 
The bound is of PAC-Bayesian type and is guaranteed to be small when the empirical $\textsc{CVaR}$ is small. 
We achieve this by reducing the problem of estimating $\textsc{CVaR}$ to that of merely estimating an expectation. This then enables us, as a by-product, to obtain concentration inequalities for $\textsc{CVaR}$ even when the random variable in question is unbounded.
Stochastic Stein Discrepancies
Authors: Anant Raj, Lester W. Mackey Jackson Gorham
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Stein discrepancies (SDs) monitor convergence and non-convergence in approximate inference when exact integration and sampling are intractable. However, the computation of a Stein discrepancy can be prohibitive if the Stein operator -- often a sum over likelihood terms or potentials -- is expensive to evaluate. To address this deficiency, we show that stochastic Stein discrepancies (SSDs) based on subsampled approximations of the Stein operator inherit the convergence control properties of standard SDs with probability 1. Along the way, we establish the convergence of Stein variational gradient descent (SVGD) on unbounded domains, resolving an open question of Liu (2017). In our experiments with biased Markov chain Monte Carlo (MCMC) hyperparameter tuning, approximate MCMC sampler selection, and stochastic SVGD, SSDs deliver comparable inferences to standard SDs with orders of magnitude fewer likelihood evaluations.
On the Role of Sparsity and DAG Constraints for Learning Linear DAGs
Authors: AmirEmad Ghassami, Kun Zhang Ignavier Ng
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Learning graphical structure based on Directed Acyclic Graphs (DAGs) is a challenging problem, partly owing to the large search space of possible graphs. A recent line of work formulates the structure learning problem as a continuous constrained optimization task using the least squares objective and an algebraic characterization of DAGs. However, the formulation requires a hard DAG constraint and may lead to optimization difficulties. In this paper, we study the asymptotic role of the sparsity and DAG constraints for learning DAG models in the linear Gaussian and non-Gaussian cases, and investigate their usefulness in the finite sample regime. Based on the theoretical results, we formulate a likelihood-based score function, and show that one only has to apply soft sparsity and DAG constraints to learn a DAG equivalent to the ground truth DAG. This leads to an unconstrained optimization problem that is much easier to solve. Using gradient-based optimization and GPU acceleration, our procedure can easily handle thousands of nodes while retaining a high accuracy. Extensive experiments validate the effectiveness of our proposed method and show that the DAG-penalized likelihood objective is indeed favorable over the least squares one with the hard DAG constraint.
Cream of the Crop: Distilling Prioritized Paths For One-Shot Neural Architecture Search
Authors: Hao Du, Hongyuan Yu, QI LI, Jing Liao, Jianlong Fu Houwen Peng
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: One-shot weight sharing methods have recently drawn great attention in neural architecture search due to high efficiency and competitive performance. However, weight sharing across models has an inherent deficiency, i.e., insufficient training of subnetworks in the hypernetwork. To alleviate this problem, we present a simple yet effective architecture distillation method. The central idea is that subnetworks can learn collaboratively and teach each other throughout the training process, aiming to boost the convergence of individual models. We introduce the concept of prioritized path, which refers to the architecture candidates exhibiting superior performance during training. Distilling knowledge from the prioritized paths is able to boost the training of subnetworks. Since the prioritized paths are changed on the fly depending on their performance and complexity, the final obtained paths are the cream of the crop. We directly select the most promising one from the prioritized paths as the final architecture, without using other complex search methods, such as reinforcement learning or evolution algorithms. The experiments on ImageNet verify such path distillation method can improve the convergence ratio and performance of the hypernetwork, as well as boosting the training of subnetworks. The discovered architectures achieve superior performance compared to the recent MobileNetV3 and EfficientNet families under aligned settings. Moreover, the experiments on object detection and more challenging search space show the generality and robustness of the proposed method. Code and models are available at \url{https://github.com/neurips-20/cream.git}.
Fair Multiple Decision Making Through Soft Interventions
Authors: Yongkai Wu, Lu Zhang, Xintao Wu Yaowei Hu
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Previous research in fair classification mostly focuses on a single decision model. In reality, there usually exist multiple decision models within a system and all of which may contain a certain amount of discrimination. Such realistic scenarios introduce new challenges to fair classification: since discrimination may be transmitted from upstream models to downstream models, building decision models separately without taking upstream models into consideration cannot guarantee to achieve fairness. In this paper, we propose an approach that learns multiple classifiers and achieves fairness for all of them simultaneously, by treating each decision model as a soft intervention and inferring the post-intervention distributions to formulate the loss function as well as the fairness constraints. We adopt surrogate functions to smooth the loss function and constraints, and theoretically show that the excess risk of the proposed loss function can be bounded in a form that is the same as that for traditional surrogated loss functions. Experiments using both synthetic and real-world datasets show the effectiveness of our approach.
Representation Learning for Integrating Multi-domain Outcomes to Optimize Individualized Treatment
Authors: Donglin Zeng, Tianchen Xu, Yuanjia Wang Yuan Chen
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: For mental disorders, patients' underlying mental states are non-observed latent constructs which have to be inferred from observed multi-domain measurements such as diagnostic symptoms and patient functioning scores. Additionally, substantial heterogeneity in the disease diagnosis between patients needs to be addressed for optimizing individualized treatment policy in order to achieve precision medicine. To address these challenges, we propose an integrated learning framework that can simultaneously learn patients' underlying mental states and recommend optimal treatments for each individual. This learning framework is based on the measurement theory in psychiatry for modeling multiple disease diagnostic measures as arising from the underlying causes (true mental states). It allows incorporation of the multivariate pre- and post-treatment outcomes as well as biological measures while preserving the invariant structure for representing patients' latent mental states. A multi-layer neural network is used to allow complex treatment effect heterogeneity. Optimal treatment policy can be inferred for future patients by comparing their potential mental states under different treatments given the observed multi-domain pre-treatment measurements. Experiments on simulated data and a real-world clinical trial data show that the learned treatment polices compare favorably to alternative methods on heterogeneous treatment effects, and have broad utilities which lead to better patient outcomes on multiple domains.
Learning to Play No-Press Diplomacy with Best Response Policy Iteration
Authors: Tom Eccles, Andrea Tacchetti, János Kramár, Ian Gemp, Thomas Hudson, Nicolas Porcel, Marc Lanctot, Julien Perolat, Richard Everett, Satinder P. Singh, Thore Graepel, Yoram Bachrach Thomas Anthony
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Recent advances in deep reinforcement learning (RL) have led to considerable progress in many 2-player zero-sum games, such as Go, Poker and Starcraft. The purely adversarial nature of such games allows for conceptually simple and principled application of RL methods. However real-world settings are many-agent, and agent interactions are complex mixtures of common-interest and competitive aspects. We consider Diplomacy, a 7-player board game designed to accentuate dilemmas resulting from many-agent interactions. It also features a large combinatorial action space and simultaneous moves, which are challenging for RL algorithms. We propose a simple yet effective approximate best response operator, designed to handle large combinatorial action spaces and simultaneous moves. We also introduce a family of policy iteration methods that approximate fictitious play. With these methods, we successfully apply RL to Diplomacy: we show that our agents convincingly outperform the previous state-of-the-art, and game theoretic equilibrium analysis shows that the new process yields consistent improvements.
Inverse Learning of Symmetries
Authors: Sonali Parbhoo, Aleksander Wieczorek, Volker Roth Mario Wieser
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Symmetry transformations induce invariances and are a crucial building block of modern machine learning algorithms. In many complex domains, such as the chemical space, invariances can be observed, yet the corresponding symmetry transformation cannot be formulated analytically. We propose to learn the symmetry transformation with a model consisting of two latent subspaces, where the first subspace captures the target and the second subspace the remaining invariant information. Our approach is based on the deep information bottleneck in combination with a continuous mutual information regulariser. Unlike previous methods, we focus on the challenging task of minimising mutual information in continuous domains. To this end, we base the calculation of mutual information on correlation matrices in combination with a bijective variable transformation. Extensive experiments demonstrate that our model outperforms state-of-the-art methods on artificial and molecular datasets.
DiffGCN: Graph Convolutional Networks via Differential Operators and Algebraic Multigrid Pooling
Authors: Eran Treister Moshe Eliasof
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Graph Convolutional Networks (GCNs) have shown to be effective in handling
unordered data like point clouds and meshes. In this work we propose novel
approaches for graph convolution, pooling and unpooling, inspired from finite
differences and algebraic multigrid frameworks. We form a parameterized convolution
kernel based on discretized differential operators, leveraging the graph mass,
gradient and Laplacian. This way, the parameterization does not depend on the
graph structure, only on the meaning of the network convolutions as differential
operators. To allow hierarchical representations of the input, we propose pooling
and unpooling operations that are based on algebraic multigrid methods, which
are mainly used to solve partial differential equations on unstructured grids. To
motivate and explain our method, we compare it to standard convolutional neural
networks, and show their similarities and relations in the case of a regular grid. Our
proposed method is demonstrated in various experiments like classification and
part-segmentation, achieving on par or better than state of the art results. We also
analyze the computational cost of our method compared to other GCNs.
Distributed Newton Can Communicate Less and Resist Byzantine Workers
Authors: Raj Kumar Maity, Arya Mazumdar Avishek Ghosh
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: We develop a distributed second order optimization algorithm that is communication-efficient as well as robust against Byzantine failures of the worker machines. We propose an iterative approximate Newton-type algorithm, where the worker machines communicate \emph{only once} per iteration with the central machine. This is in sharp contrast with the state-of-the-art distributed second order algorithms like GIANT \cite{giant}, DINGO\cite{dingo}, where the worker machines send (functions of) local gradient and Hessian sequentially; thus ending up communicating twice with the central machine per iteration. Furthermore, we employ a simple norm based thresholding rule to filter-out the Byzantine worker machines. We establish the linear-quadratic rate of convergence of our proposed algorithm and establish that the communication savings and Byzantine resilience attributes only correspond to a small statistical error rate for arbitrary convex loss functions. To the best of our knowledge, this is the first work that addresses the issue of Byzantine resilience in second order distributed optimization. Furthermore, we validate our theoretical results with extensive experiments on synthetically generated and benchmark LIBSVM \cite{libsvm} data-set and demonstrate convergence guarantees.
Efficient Nonmyopic Bayesian Optimization via One-Shot Multi-Step Trees
Authors: Daniel Jiang, Maximilian Balandat, Brian Karrer, Jacob Gardner, Roman Garnett Shali Jiang
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Bayesian optimization is a sequential decision making framework for optimizing expensive-to-evaluate black-box functions. Computing a full lookahead policy amounts to solving a highly intractable stochastic dynamic program. Myopic approaches, such as expected improvement, are often adopted in practice, but they ignore the long-term impact of the immediate decision. Existing nonmyopic approaches are mostly heuristic and/or computationally expensive. In this paper, we provide the first efficient implementation of general multi-step lookahead Bayesian optimization, formulated as a sequence of nested optimization problems within a multi-step scenario tree. Instead of solving these problems in a nested way, we equivalently optimize all decision variables in the full tree jointly, in a "one-shot" fashion. Combining this with an efficient method for implementing multi-step Gaussian process "fantasization," we demonstrate that multi-step expected improvement is computationally tractable and exhibits performance superior to existing methods on a wide range of benchmarks.
Effective Diversity in Population Based Reinforcement Learning
Authors: Aldo Pacchiano, Krzysztof M Choromanski, Stephen J. Roberts Jack Parker-Holder
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Exploration is a key problem in reinforcement learning, since agents can only learn from data they acquire in the environment. With that in mind, maintaining a population of agents is an attractive method, as it allows data be collected with a diverse set of behaviors. This behavioral diversity is often boosted via multi-objective loss functions. However, those approaches typically leverage mean field updates based on pairwise distances, which makes them susceptible to cycling behaviors and increased redundancy. In addition, explicitly boosting diversity often has a detrimental impact on optimizing already fruitful behaviors for rewards. As such, the reward-diversity trade off typically relies on heuristics. Finally, such methods require behavioral representations, often handcrafted and domain specific. In this paper, we introduce an approach to optimize all members of a population simultaneously. Rather than using pairwise distance, we measure the volume of the entire population in a behavioral manifold, defined by task-agnostic behavioral embeddings. In addition, our algorithm Diversity via Determinants (DvD), adapts the degree of diversity during training using online learning techniques. We introduce both evolutionary and gradient-based instantiations of DvD and show they effectively improve exploration without reducing performance when better exploration is not required.
Elastic-InfoGAN: Unsupervised Disentangled Representation Learning in Class-Imbalanced Data
Authors: Krishna Kumar Singh, Cho-Jui Hsieh, Yong Jae Lee Utkarsh Ojha
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: We propose a novel unsupervised generative model that learns to disentangle object identity from other low-level aspects in class-imbalanced data. We first investigate the issues surrounding the assumptions about uniformity made by InfoGAN, and demonstrate its ineffectiveness to properly disentangle object identity in imbalanced data. Our key idea is to make the discovery of the discrete latent factor of variation invariant to identity-preserving transformations in real images, and use that as a signal to learn the appropriate latent distribution representing object identity. Experiments on both artificial (MNIST, 3D cars, 3D chairs, ShapeNet) and real-world (YouTube-Faces) imbalanced datasets demonstrate the effectiveness of our method in disentangling object identity as a latent factor of variation.
Direct Policy Gradients: Direct Optimization of Policies in Discrete Action Spaces
Authors: Chris J Maddison, Nicolas Heess, Tamir Hazan, Daniel Tarlow Guy Lorberbom
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Direct optimization (McAllester et al., 2010; Song et al., 2016) is an appealing framework that replaces integration with optimization of a random objective for approximating gradients in models with discrete random variables (Lorberbom et al., 2018).  A* sampling (Maddison et al., 2014) is a framework for optimizing such random objectives over large spaces.  We show how to combine these techniques to yield a reinforcement learning algorithm that approximates a policy gradient by finding trajectories that optimize a random objective.  We call the resulting algorithms \emph{direct policy gradient} (DirPG) algorithms. A main benefit of DirPG algorithms is that they allow the insertion of domain knowledge in the form of upper bounds on return-to-go at training time, like is used in heuristic search, while still directly computing a policy gradient. We further analyze their properties, showing there are cases where DirPG has an exponentially larger probability of sampling informative gradients compared to REINFORCE. We also show that there is a built-in variance reduction technique and that a parameter that was previously viewed as a numerical approximation can be interpreted as controlling risk sensitivity. Empirically, we evaluate the effect of key degrees of freedom and show that the algorithm performs well in illustrative domains compared to baselines.
Hybrid Models for Learning to Branch
Authors: Maxime Gasse, Elias Khalil, Pawan Mudigonda, Andrea Lodi, Yoshua Bengio Prateek Gupta
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: A recent Graph Neural Network (GNN) approach for learning to branch has been shown to successfully reduce the running time of branch-and-bound algorithms for Mixed Integer Linear Programming (MILP). While the GNN relies on a GPU for inference, MILP solvers are purely CPU-based. This severely limits its application as many practitioners may not have access to high-end GPUs. In this work, we ask two key questions. First, in a more realistic setting where only a CPU is available, is the GNN model still competitive? Second, can we devise an alternate computationally inexpensive model that retains the predictive power of the GNN architecture? We answer the first question in the negative, and address the second question by proposing a new hybrid architecture for efficient branching on CPU machines. The proposed architecture combines the expressive power of GNNs with computationally inexpensive multi-layer perceptrons (MLP) for branching. We evaluate our methods on four classes of MILP problems, and show that they lead to up to 26% reduction in solver running time compared to state-of-the-art methods without a GPU, while extrapolating to harder problems than it was trained on. The code for this project is publicly available at https://github.com/pg2455/Hybrid-learn2branch.
WoodFisher: Efficient Second-Order Approximation for Neural Network Compression
Authors: Dan Alistarh Sidak Pal Singh
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Second-order information, in the form of Hessian- or Inverse-Hessian-vector products, is a fundamental tool for solving optimization problems. Recently, there has been significant interest in utilizing this information in the context of deep neural networks; however, relatively little is known about the quality of existing approximations in this context. Our work considers this question, examines the accuracy of existing approaches, and proposes a method called WoodFisher to compute a faithful and efficient estimate of the inverse Hessian.
Our main application is to neural network compression, where we build on the classic Optimal Brain Damage/Surgeon framework. We demonstrate that WoodFisher significantly outperforms popular state-of-the-art methods for one-shot pruning. Further, even when iterative, gradual pruning is allowed, our method results in a gain in test accuracy over the state-of-the-art approaches for popular image classification datasets such as ImageNet ILSVRC. Further, we show how our method can be extended to take into account first-order information, and illustrate its ability to automatically set layer-wise pruning thresholds, or perform compression in the limited-data regime.
Bi-level Score Matching for Learning Energy-based Latent Variable Models
Authors: Chongxuan LI, Kun Xu, Hang Su, Jun Zhu, Bo Zhang Fan Bao
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Score matching (SM) provides a compelling approach to learn energy-based models (EBMs) by avoiding the calculation of partition function. However, it remains largely open to learn energy-based latent variable models (EBLVMs), except some special cases. This paper presents a bi-level score matching (BiSM) method to learn EBLVMs with general structures by reformulating SM as a bi-level optimization problem. The higher level introduces a variational posterior of the latent variables and optimizes a modified SM objective, and the lower level optimizes the variational posterior to fit the true posterior. To solve BiSM efficiently, we develop a stochastic optimization algorithm with gradient unrolling. Theoretically, we analyze the consistency of BiSM and the convergence of the stochastic algorithm. Empirically, we show the promise of BiSM in Gaussian restricted Boltzmann machines and highly nonstructural EBLVMs parameterized by deep convolutional neural networks. BiSM is comparable to the widely adopted contrastive divergence and SM methods when they are applicable; and can learn complex EBLVMs with intractable posteriors to generate natural images.
Counterfactual Contrastive Learning for Weakly-Supervised Vision-Language Grounding
Authors: Zhou Zhao, Zhijie Lin, jieming zhu, Xiuqiang He Zhu Zhang
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Weakly-supervised vision-language grounding aims to localize a target moment in a video or a specific region in an image according to the given sentence query, where only video-level or image-level sentence annotations are provided during training. Most existing approaches employ the MIL-based or reconstruction-based paradigms for the WSVLG task, but the former heavily depends on the quality of randomly-selected negative samples and the latter cannot directly optimize the visual-textual alignment score. In this paper, we propose a novel Counterfactual Contrastive Learning (CCL) to develop sufficient contrastive training between counterfactual positive and negative results, which are based on robust and destructive counterfactual transformations. Concretely, we design three counterfactual transformation strategies from the feature-, interaction- and relation-level, where the feature-level method damages the visual features of selected proposals, interaction-level approach confuses the vision-language interaction and relation-level strategy destroys the context clues in proposal relationships. Extensive experiments on five vision-language grounding datasets verify the effectiveness of our CCL paradigm.