DeepNLP/NIPS-2020-Accepted-Papers huggingface dataset:
Diversity-Guided Multi-Objective Bayesian Optimization With Batch Evaluations
Authors: Mina Konakovic Lukovic, Yunsheng Tian, Wojciech Matusik

Abstract: Many science, engineering, and design optimization problems require balancing the trade-offs between several conflicting objectives. The objectives are often black-box functions whose evaluations are time-consuming and costly. Multi-objective Bayesian optimization can be used to automate the process of discovering the set of optimal solutions, called Pareto-optimal, while minimizing the number of performed evaluations. To further reduce the evaluation time in the optimization process, testing of several samples in parallel can be deployed. We propose a novel multi-objective Bayesian optimization algorithm that iteratively selects the best batch of samples to be evaluated in parallel. Our algorithm approximates and analyzes a piecewise-continuous Pareto set representation. This representation allows us to introduce a batch selection strategy that optimizes for both hypervolume improvement and diversity of selected samples in order to efficiently advance promising regions of the Pareto front. Experiments on both synthetic test functions and real-world benchmark problems show that our algorithm predominantly outperforms relevant state-of-the-art methods. Code is available at https://github.com/yunshengtian/DGEMO.
SOLOv2: Dynamic and Fast Instance Segmentation
Authors: Xinlong Wang, Rufeng Zhang, Tao Kong, Lei Li, Chunhua Shen

Abstract: In this work, we design a simple, direct, and fast framework for instance segmentation with strong performance. To this end, we propose a novel and effective approach, termed SOLOv2, following the principle of the SOLO method [32]. First, our new framework is empowered by an efficient and holistic instance mask representation scheme, which dynamically segments each instance in the image, without resorting to bounding box detection. Specifically, the object mask generation is decoupled into a mask kernel prediction and mask feature learning, which are responsible for generating convolution kernels and the feature maps to be convolved with, respectively. Second, SOLOv2 significantly reduces inference overhead with our novel matrix non-maximum suppression (NMS) technique. Our Matrix NMS performs NMS with parallel matrix operations in one shot, and yields better results. We demonstrate that the proposed SOLOv2 achieves the state-of-the- art performance with high efficiency, making it suitable for both mobile and cloud applications. A light-weight version of SOLOv2 executes at 31.3 FPS and yields 37.1% AP on COCO test-dev. Moreover, our state-of-the-art results in object detection (from our mask byproduct) and panoptic segmentation show the potential of SOLOv2 to serve as a new strong baseline for many instance-level recognition tasks. Code is available at https://git.io/AdelaiDet
Robust Recovery via Implicit Bias of Discrepant Learning Rates for Double Over-parameterization
Authors: Chong You, Zhihui Zhu, Qing Qu, Yi Ma

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: Ritesh Noothigattu, Dominik Peters, Ariel D. Procaccia

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: Lingxiao Li, Aude Genevay, Mikhail Yurochkin, Justin M. Solomon

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: Defu Cao, Yujing Wang, Juanyong Duan, Ce Zhang, Xia Zhu, Congrui Huang, Yunhai Tong, Bixiong Xu, Jing Bai, Jie Tong, Qi Zhang

Abstract: 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: Mark Herbster, Stephen Pasteris, Lisa Tse

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: Yuehua Zhu, Muli Yang, Cheng Deng, Wei Liu

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: LEI BAI, Lina Yao, Can Li, Xianzhi Wang, Can Wang

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: Ruosong Wang, Simon S. Du, Lin Yang, Russ R. Salakhutdinov

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: Sandrine Peche, Vianney Perchet

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: Jonathan Crabbe, Yao Zhang, William Zame, Mihaela van der Schaar

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: Xuefeng GAO, Mert Gurbuzbalaban, Lingjiong  Zhu

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: Melanie Weber, Manzil Zaheer, Ankit Singh Rawat, Aditya K. Menon, Sanjiv Kumar

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: Rui Luo, Qiang Zhang, Yaodong Yang, Jun Wang

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: Micah Goldblum, Liam Fowl, Tom Goldstein

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: Guillermo Ortiz-Jimenez, Apostolos Modas, Seyed-Mohsen Moosavi, Pascal Frossard

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: Zekun Tong, Yuxuan Liang, Changsheng Sun, Xinke Li, David Rosenblum, Andrew Lim

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: Zakaria Mhammedi, Benjamin Guedj, Robert C. Williamson

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.