DeepNLP/NIPS-2020-Accepted-Papers huggingface dataset:
Stochastic Stein Discrepancies
Authors: Jackson Gorham, Anant Raj, Lester Mackey

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: Ignavier Ng, AmirEmad Ghassami, Kun Zhang

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: Houwen Peng, Hao Du, Hongyuan Yu, QI LI, Jing Liao, Jianlong Fu

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: Yaowei Hu, Yongkai Wu, Lu Zhang, Xintao Wu

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: Yuan Chen, Donglin Zeng, Tianchen Xu, Yuanjia Wang

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: Thomas Anthony, Tom Eccles, Andrea Tacchetti, János Kramár, Ian Gemp, Thomas Hudson, Nicolas Porcel, Marc Lanctot, Julien Perolat, Richard Everett, Satinder Singh, Thore Graepel, Yoram Bachrach

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: Mario Wieser, Sonali Parbhoo, Aleksander Wieczorek, Volker Roth

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: Moshe Eliasof, Eran Treister

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: Avishek Ghosh, Raj Kumar Maity, Arya Mazumdar

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: Shali Jiang, Daniel Jiang, Maximilian Balandat, Brian Karrer, Jacob Gardner, Roman Garnett

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: Jack Parker-Holder, Aldo Pacchiano, Krzysztof M. Choromanski, Stephen J. Roberts

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: Utkarsh Ojha, Krishna Kumar Singh, Cho-Jui Hsieh, Yong Jae Lee

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: Guy Lorberbom, Chris J. Maddison, Nicolas Heess, Tamir Hazan, Daniel Tarlow

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: Prateek Gupta, Maxime Gasse, Elias Khalil, Pawan Mudigonda, Andrea Lodi, Yoshua Bengio

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: Sidak Pal Singh, Dan Alistarh

Abstract: 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: Fan Bao, Chongxuan LI, Kun Xu, Hang Su, Jun Zhu, Bo Zhang

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: Zhu Zhang, Zhou Zhao, Zhijie Lin, jieming zhu, Xiuqiang He

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.
Decision trees as partitioning machines to characterize their generalization properties
Authors: Jean-Samuel Leboeuf, Frédéric LeBlanc, Mario Marchand

Abstract: Decision trees are popular machine learning models that are simple to build and easy to interpret. Even though algorithms to learn decision trees date back to almost 50 years, key properties affecting their generalization error are still weakly bounded. Hence, we revisit binary decision trees on real-valued features from the perspective of partitions of the data. We introduce the notion of partitioning function, and we relate it to the growth function and to the VC dimension. Using this new concept, we are able to find the exact VC dimension of decision stumps, which is given by the largest integer $d$ such that $2\ell \ge \binom{d}{\floor{\frac{d}{2}}}$, where $\ell$ is the number of real-valued features. We provide a recursive expression to bound the partitioning functions, resulting in a upper bound on the growth function of any decision tree structure. This allows us to show that the VC dimension of a binary tree structure with $N$ internal nodes is of order $N \log(N\ell)$. Finally, we elaborate a pruning algorithm based on these results that performs better than the CART algorithm on a number of datasets, with the advantage that no cross-validation is required.