mtybilly/Instruct2DS huggingface dataset:
Neural Temporal Walks: Motif-Aware Representation Learning on Continuous-Time Dynamic Graphs
Authors: Ming Jin, Yuan-Fang Li, Shirui Pan
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Continuous-time dynamic graphs naturally abstract many real-world systems, such as social and transactional networks. While the research on continuous-time dynamic graph representation learning has made significant advances recently, neither graph topological properties nor temporal dependencies have been well-considered and explicitly modeled in capturing dynamic patterns. In this paper, we introduce a new approach, Neural Temporal Walks (NeurTWs), for representation learning on continuous-time dynamic graphs. By considering not only time constraints but also structural and tree traversal properties, our method conducts spatiotemporal-biased random walks to retrieve a set of representative motifs, enabling temporal nodes to be characterized effectively. With a component based on neural ordinary differential equations, the extracted motifs allow for irregularly-sampled temporal nodes to be embedded explicitly over multiple different interaction time intervals, enabling the effective capture of the underlying spatiotemporal dynamics. To enrich supervision signals, we further design a harder contrastive pretext task for model optimization. Our method demonstrates overwhelming superiority under both transductive and inductive settings on six real-world datasets.
Understanding Benign Overfitting in Gradient-Based Meta Learning
Authors: Lisha Chen, Songtao Lu, Tianyi Chen
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Meta learning has demonstrated tremendous success in few-shot learning with  limited supervised data. In those settings, the meta model is usually overparameterized. While the conventional statistical learning theory suggests that overparameterized models tend to overfit, empirical evidence reveals that overparameterized meta learning methods still work well -- a phenomenon often called ``benign overfitting.'' To understand this phenomenon, we focus on the meta learning settings with a challenging bilevel structure that we term the gradient-based meta learning, and analyze its generalization performance under an overparameterized meta linear regression model. While our analysis uses the relatively tractable linear models, our theory contributes to understanding the delicate interplay among data heterogeneity, model adaptation and benign overfitting in gradient-based meta learning tasks. We corroborate our theoretical claims through numerical simulations.
Generative Neural Articulated Radiance Fields
Authors: Alexander Bergman, Petr Kellnhofer, Wang Yifan, Eric Chan, David Lindell, Gordon Wetzstein
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Unsupervised learning of 3D-aware generative adversarial networks (GANs) using only collections of single-view 2D photographs has very recently made much progress. These 3D GANs, however, have not been demonstrated for human bodies and the generated radiance fields of existing frameworks are not directly editable, limiting their applicability in downstream tasks. We propose a solution to these challenges by developing a 3D GAN framework that learns to generate radiance fields of human bodies or faces in a canonical pose and warp them using an explicit deformation field into a desired body pose or facial expression. Using our framework, we demonstrate the first high-quality radiance field generation results for human bodies. Moreover, we show that our deformation-aware training procedure significantly improves the quality of generated bodies or faces when editing their poses or facial expressions compared to a 3D GAN that is not trained with explicit deformations.
AutoMS: Automatic Model Selection for Novelty Detection with Error Rate Control
Authors: Yifan Zhang, Haiyan Jiang, Haojie Ren, Changliang Zou, Dejing Dou
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Given an unsupervised novelty detection task on a new dataset, how can we automatically select a ''best'' detection model while simultaneously controlling the error rate of the best model? For novelty detection analysis, numerous detectors have been proposed to detect outliers on a new unseen dataset based on a score function trained on available clean data. However, due to the absence of labeled data for model evaluation and comparison, there is a lack of systematic approaches that are able to select a ''best'' model/detector (i.e., the algorithm as well as its hyperparameters) and achieve certain error rate control simultaneously. In this paper, we introduce a unified data-driven procedure to address this issue. The key idea is to maximize the number of detected outliers while controlling the false discovery rate (FDR) with the help of Jackknife prediction. We establish non-asymptotic bounds for the false discovery proportions and show that the proposed procedure yields valid FDR control under some mild conditions. Numerical experiments on both synthetic and real data validate the theoretical results and demonstrate the effectiveness of our proposed AutoMS method. The code is available at https://github.com/ZhangYifan1996/AutoMS.
GALOIS: Boosting Deep Reinforcement Learning via Generalizable Logic Synthesis
Authors: Yushi Cao, Zhiming Li, Tianpei Yang, Hao Zhang, YAN ZHENG, Yi Li, Jianye Hao, Yang Liu
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Despite achieving superior performance in human-level control problems, unlike humans, deep reinforcement learning (DRL) lacks high-order intelligence (e.g., logic deduction and reuse), thus it behaves ineffectively than humans regarding learning and generalization in complex problems. Previous works attempt to directly synthesize a white-box logic program as the DRL policy, manifesting logic-driven behaviors. However, most synthesis methods are built on imperative or declarative programming, and each has a distinct limitation, respectively. The former ignores the cause-effect logic during synthesis, resulting in low generalizability across tasks. The latter is strictly proof-based, thus failing to synthesize programs with complex hierarchical logic. In this paper, we combine the above two paradigms together and propose a novel Generalizable Logic Synthesis (GALOIS) framework to synthesize hierarchical and strict cause-effect logic programs. GALOIS leverages the program sketch and defines a new sketch-based hybrid program language for guiding the synthesis. Based on that, GALOIS proposes a sketch-based program synthesis method to automatically generate white-box programs with generalizable and interpretable cause-effect logic. Extensive evaluations on various decision-making tasks with complex logic demonstrate the superiority of GALOIS over mainstream baselines regarding the asymptotic performance, generalizability, and great knowledge reusability across different environments.
Faster Deep Reinforcement Learning with Slower Online Network
Authors: Kavosh Asadi, Rasool Fakoor, Omer Gottesman, Taesup Kim, Michael L. Littman, Alexander J Smola
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Deep reinforcement learning algorithms often use two networks for value function optimization: an online network, and a target network that tracks the online network with some delay. Using two separate networks enables the agent to hedge against issues that arise when performing bootstrapping. In this paper we endow two popular deep reinforcement learning algorithms, namely DQN and Rainbow, with updates that incentivize the online network to remain in the proximity of the target network. This improves the robustness of deep reinforcement learning in presence of noisy updates. The resultant agents, called DQN Pro and Rainbow Pro, exhibit significant performance improvements over their original counterparts on the Atari benchmark demonstrating the effectiveness of this simple idea in deep reinforcement learning. The code for our paper is available here: Github.com/amazon-research/fast-rl-with-slow-updates.
Learn to Match with No Regret: Reinforcement Learning in Markov Matching Markets
Authors: Yifei Min, Tianhao Wang, Ruitu Xu, Zhaoran Wang, Michael I. Jordan, Zhuoran Yang
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: We study a Markov matching market involving a planner and a set of strategic agents on the two sides of the market.At each step, the agents are presented with a dynamical context, where the contexts determine the utilities. The planner controls the transition of the contexts to maximize the cumulative social welfare, while the agents aim to find a myopic stable matching at each step. Such a setting captures a range of applications including ridesharing platforms. We formalize the problem by proposing a reinforcement learning framework that integrates optimistic value iteration with maximum weight matching. The proposed algorithm addresses the coupled challenges of sequential exploration, matching stability, and function approximation. We prove that the algorithm achieves sublinear regret.
Efficient Frameworks for Generalized Low-Rank Matrix Bandit Problems
Authors: Yue Kang, Cho-Jui Hsieh, Thomas Chun Man Lee
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: In the stochastic contextual low-rank matrix bandit problem, the expected reward of an action is given by the inner product between the action's feature matrix and some fixed, but initially unknown $d_1$ by $d_2$ matrix $\Theta^*$ with rank $r \ll \{d_1, d_2\}$, and an agent sequentially takes actions based on past experience to maximize the cumulative reward. In this paper, we study the generalized low-rank matrix bandit problem, which has been recently proposed in \cite{lu2021low} under the Generalized Linear Model (GLM) framework. To overcome the computational infeasibility and theoretical restrain of existing algorithms on this problem, we first propose the G-ESTT framework that modifies the idea from \cite{jun2019bilinear} by using Stein's method on the subspace estimation and then leverage the estimated subspaces via a regularization idea. Furthermore, we remarkably improve the efficiency of G-ESTT by using a novel exclusion idea on the estimated subspace instead, and propose the G-ESTS framework. We also show that both of our methods are the first algorithm to achieve the optimal $\tilde{O}((d_1+d_2)r\sqrt{T})$ bound of regret presented in \cite{lu2021low} up to logarithm terms under some mild conditions, which improves upon the current regret of $\tilde{O}((d_1+d_2)^{3/2} \sqrt{rT})$~\citep{lu2021low}. For completeness, we conduct experiments to illustrate that our proposed algorithms, especially G-ESTS, are also computationally tractable and consistently outperform other state-of-the-art (generalized) linear matrix bandit methods based on a suite of simulations.
A Projection-free Algorithm for Constrained Stochastic Multi-level Composition Optimization
Authors: Tesi Xiao, Krishnakumar Balasubramanian, Saeed Ghadimi
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: We propose a projection-free conditional gradient-type algorithm for smooth stochastic multi-level composition optimization, where the objective function is a nested composition of $T$ functions and the constraint set is a closed convex set. Our algorithm assumes access to noisy evaluations of the functions and their gradients, through a stochastic first-order oracle satisfying certain standard unbiasedness and second-moment assumptions. We show that the number of calls to the stochastic first-order oracle and the linear-minimization oracle required by the proposed algorithm, to obtain an $\epsilon$-stationary solution, are of order $\mathcal{O}_T(\epsilon^{-2})$ and $\mathcal{O}_T(\epsilon^{-3})$ respectively, where $\mathcal{O}_T$ hides constants in $T$. Notably, the dependence of these complexity bounds on $\epsilon$ and $T$ are separate in the sense that changing one does not impact the dependence of the bounds on the other. For the case of $T=1$, we also provide a high-probability convergence result that depends poly-logarithmically on the inverse confidence level. Moreover, our algorithm is parameter-free and does not require any (increasing) order of mini-batches to converge unlike the common practice in the analysis of stochastic conditional gradient-type algorithms.
Green Hierarchical Vision Transformer for Masked Image Modeling
Authors: Lang Huang, Shan You, Mingkai Zheng, Fei Wang, Chen Qian, Toshihiko Yamasaki
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: We present an efficient approach for Masked Image Modeling (MIM) with hierarchical Vision Transformers (ViTs), allowing the hierarchical ViTs to discard masked patches and operate only on the visible ones. Our approach consists of three key designs. First, for window attention, we propose a Group Window Attention scheme following the Divide-and-Conquer strategy. To mitigate the quadratic complexity of the self-attention w.r.t. the number of patches, group attention encourages a uniform partition that visible patches within each local window of arbitrary size can be grouped with equal size, where masked self-attention is then performed within each group. Second, we further improve the grouping strategy via the Dynamic Programming algorithm to minimize the overall computation cost of the attention on the grouped patches. Third, as for the convolution layers, we convert them to the Sparse Convolution that works seamlessly with the sparse data, i.e., the visible patches in MIM. As a result, MIM can now work on most, if not all, hierarchical ViTs in a green and efficient way. For example, we can train the hierarchical ViTs, e.g., Swin Transformer and Twins Transformer, about 2.7$\times$ faster and reduce the GPU memory usage by 70%, while still enjoying competitive performance on ImageNet classification and the superiority on downstream COCO object detection benchmarks.
Simultaneous Missing Value Imputation and Structure Learning with Groups
Authors: Pablo Morales-Alvarez, Wenbo Gong, Angus Lamb, Simon Woodhead, Simon Peyton Jones, Nick Pawlowski, Miltiadis Allamanis, Cheng Zhang
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Learning structures between groups of variables from data with missing values is an important task in the real world, yet difficult to solve. One typical scenario is discovering the structure among topics in the education domain to identify learning pathways. Here, the observations are student performances for questions under each topic which contain missing values. However, most existing methods focus on learning structures between a few individual variables from the complete data. In this work, we propose VISL, a novel scalable structure learning approach that can simultaneously infer structures between groups of variables under missing data and perform missing value imputations with deep learning. Particularly, we propose a generative model with a structured latent space and a graph neural network-based architecture, scaling to a large number of variables. Empirically, we conduct extensive experiments on synthetic, semi-synthetic, and real-world education data sets. We show improved performances on both imputation and structure learning accuracy compared to popular and recent approaches.
Towards Reliable Simulation-Based Inference with Balanced Neural Ratio Estimation
Authors: Arnaud Delaunoy, Joeri Hermans, François Rozet, Antoine Wehenkel, Gilles Louppe
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Modern approaches for simulation-based inference build upon deep learning surrogates to enable approximate Bayesian inference with computer simulators. In practice, the estimated posteriors' computational faithfulness is, however, rarely guaranteed. For example, Hermans et al., 2021 have shown that current simulation-based inference algorithms can produce posteriors that are overconfident, hence risking false inferences. In this work, we introduce Balanced Neural Ratio Estimation (BNRE), a variation of the NRE algorithm designed to produce posterior approximations that tend to be more conservative, hence improving their reliability, while sharing the same Bayes optimal solution. We achieve this by enforcing a balancing condition that increases the quantified uncertainty in low simulation budget regimes while still converging to the exact posterior as the budget increases. We provide theoretical arguments showing that BNRE tends to produce posterior surrogates that are more conservative than NRE's. We evaluate BNRE on a wide variety of tasks and show that it produces conservative posterior surrogates on all tested benchmarks and simulation budgets. Finally, we emphasize that BNRE is straightforward to implement over NRE and does not introduce any computational overhead.
Interaction Modeling with Multiplex Attention
Authors: Fan-Yun Sun, Isaac Kauvar, Ruohan Zhang, Jiachen Li, Mykel J Kochenderfer, Jiajun Wu, Nick Haber
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Modeling multi-agent systems requires understanding how agents interact. Such systems are often difficult to model because they can involve a variety of types of interactions that layer together to drive rich social behavioral dynamics. Here we introduce a method for accurately modeling multi-agent systems. We present Interaction Modeling with Multiplex Attention (IMMA), a forward prediction model that uses a multiplex latent graph to represent multiple independent types of interactions and attention to account for relations of different strengths. We also introduce Progressive Layer Training, a training strategy for this architecture. We show that our approach outperforms state-of-the-art models in trajectory forecasting and relation inference, spanning three multi-agent scenarios: social navigation, cooperative task achievement, and team sports. We further demonstrate that our approach can improve zero-shot generalization and allows us to probe how different interactions impact agent behavior.
Low-rank lottery tickets: finding efficient low-rank neural networks via matrix differential equations
Authors: Steffen Schotthöfer, Emanuele Zangrando, Jonas Kusch, Gianluca Ceruti, Francesco Tudisco
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Neural networks have achieved tremendous success in a large variety of applications. However, their memory footprint and computational demand can render them impractical in application settings with limited hardware or energy resources. In this work, we propose a novel algorithm to find efficient low-rank subnetworks. Remarkably, these subnetworks are determined and adapted already during the training phase and the overall time and memory resources required by both training and evaluating them is significantly reduced. The main idea is to restrict the weight matrices to a low-rank manifold and to update the low-rank factors rather than the full matrix during training. To derive training updates that are restricted to the prescribed manifold, we employ techniques from dynamic model order reduction for matrix differential equations. Moreover, our method automatically and dynamically adapts the ranks during training to achieve a desired approximation accuracy.The efficiency of the proposed method is demonstrated through a variety of numerical experiments on fully-connected and convolutional networks.
Causality-driven Hierarchical Structure Discovery for Reinforcement Learning
Authors: shaohui peng, Xing Hu, Rui Zhang, Ke Tang, Jiaming Guo, Qi Yi, Ruizhi Chen, xishan zhang, Zidong Du, Ling Li, Qi Guo, Yunji Chen
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Hierarchical reinforcement learning (HRL) has been proven to be effective for tasks with sparse rewards, for it can improve the agent's exploration efficiency by discovering high-quality hierarchical structures (e.g., subgoals or options). However, automatically discovering high-quality hierarchical structures is still a great challenge. Previous HRL methods can only find the hierarchical structures in simple environments, as they are mainly achieved through the randomness of agent's policies during exploration. In complicated environments, such a randomness-driven exploration paradigm can hardly discover high-quality hierarchical structures because of the low exploration efficiency. In this paper, we propose CDHRL, a causality-driven hierarchical reinforcement learning framework, to build high-quality hierarchical structures efficiently in complicated environments. The key insight is that the causalities among environment variables are naturally fit for modeling reachable subgoals and their dependencies; thus, the causality is suitable to be the guidance in building high-quality hierarchical structures. Roughly, we build the hierarchy of subgoals based on causality autonomously, and utilize the subgoal-based policies to unfold further causality efficiently. Therefore, CDHRL leverages a causality-driven discovery instead of a randomness-driven exploration for high-quality hierarchical structure construction. The results in two complex environments, 2D-Minecraft and Eden, show that CDHRL can discover high-quality hierarchical structures and significantly enhance exploration efficiency.
Pay attention to your loss : understanding misconceptions about Lipschitz neural networks
Authors: Louis Béthune, Thibaut Boissin, Mathieu Serrurier, Franck Mamalet, Corentin Friedrich, Alberto Gonzalez Sanz
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Lipschitz constrained networks have gathered considerable attention in the deep learning community, with usages ranging from Wasserstein distance estimation to the training of certifiably robust classifiers. However they remain commonly considered as less accurate, and their properties in learning are still not fully understood. In this paper we clarify the matter: when it comes to classification 1-Lipschitz neural networks enjoy several advantages over their unconstrained counterpart. First, we show that these networks are as accurate as classical ones, and can fit arbitrarily difficult boundaries. Then, relying on a robustness metric that reflects operational needs we characterize the most robust classifier: the WGAN discriminator. Next, we show that 1-Lipschitz neural networks generalize well under milder assumptions. Finally, we show that hyper-parameters of the loss are crucial for controlling the accuracy-robustness trade-off. We conclude that they exhibit appealing properties to pave the way toward provably accurate, and provably robust neural networks.
Large-Scale Retrieval for Reinforcement Learning
Authors: Peter Humphreys, Arthur Guez, Olivier Tieleman, Laurent Sifre, Theophane Weber, Timothy Lillicrap
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Effective decision making involves flexibly relating past experiences and relevant contextual information to a novel situation. In deep reinforcement learning (RL), the dominant paradigm is for an agent to amortise information that helps decision-making into its network weights via gradient descent on training losses. Here, we pursue an alternative approach in which agents can utilise large-scale context-sensitive database lookups to support their parametric computations. This allows agents to directly learn in an end-to-end manner to utilise relevant information to inform their outputs. In addition, new information can be attended to by the agent, without retraining, by simply augmenting the retrieval dataset. We study this approach for offline RL in 9x9 Go, a challenging game for which the vast combinatorial state space privileges generalisation over direct matching to past experiences. We leverage fast, approximate nearest neighbor techniques in order to retrieve relevant data from a set of tens of millions of expert demonstration states. Attending to this information provides a significant boost to prediction accuracy and game-play performance over simply using these demonstrations as training trajectories, providing a compelling demonstration of the value of large-scale retrieval in offline RL agents.
Gradient flow dynamics of shallow ReLU networks for square loss and orthogonal inputs
Authors: Etienne Boursier, Loucas PILLAUD-VIVIEN, Nicolas Flammarion
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: The training of neural networks by gradient descent methods is a cornerstone of the deep learning revolution. Yet, despite some recent progress, a complete theory explaining its success is still missing. This article presents, for orthogonal input vectors, a precise description of the gradient flow dynamics of training one-hidden layer ReLU neural networks for the mean squared error at small initialisation. In this setting, despite non-convexity, we show that the gradient flow converges to zero loss and characterise its implicit bias towards minimum variation norm. Furthermore, some interesting phenomena are highlighted: a quantitative description of the initial alignment phenomenon and a proof that the process follows a specific saddle to saddle dynamics.
Outsourcing Training without Uploading Data via Efficient Collaborative Open-Source Sampling
Authors: Junyuan Hong, Lingjuan Lyu, Jiayu Zhou, Michael Spranger
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: As deep learning blooms with growing demand for computation and data resources, outsourcing model training to a powerful cloud server becomes an attractive alternative to training at a low-power and cost-effective end device. Traditional outsourcing requires uploading device data to the cloud server, which can be infeasible in many real-world applications due to the often sensitive nature of the collected data and the limited communication bandwidth. To tackle these challenges, we propose to leverage widely available open-source data, which is a massive dataset collected from public and heterogeneous sources (e.g., Internet images). We develop a novel strategy called Efficient Collaborative Open-source Sampling (ECOS) to construct a proximal proxy dataset from open-source data for cloud training, in lieu of client data. ECOS probes open-source data on the cloud server to sense the distribution of client data via a communication- and computation-efficient sampling process, which only communicates a few compressed public features and client scalar responses. Extensive empirical studies show that the proposed ECOS improves the quality of automated client labeling, model compression, and label outsourcing when applied in various learning scenarios. Source codes will be released.
Multi-agent Dynamic Algorithm Configuration
Authors: Ke Xue, Jiacheng Xu, Lei Yuan, Miqing Li, Chao Qian, Zongzhang Zhang, Yang Yu
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Automated algorithm configuration relieves users from tedious, trial-and-error tuning tasks. A popular algorithm configuration tuning paradigm is dynamic algorithm configuration (DAC), in which an agent learns dynamic configuration policies across instances by reinforcement learning (RL). However, in many complex algorithms, there may exist different types of configuration hyperparameters, and such heterogeneity may bring difficulties for classic DAC which uses a single-agent RL policy. In this paper, we aim to address this issue and propose multi-agent DAC (MA-DAC), with one agent working for one type of configuration hyperparameter. MA-DAC formulates the dynamic configuration of a complex algorithm with multiple types of hyperparameters as a contextual multi-agent Markov decision process and solves it by a cooperative multi-agent RL (MARL) algorithm. To instantiate, we apply MA-DAC to a well-known optimization algorithm for multi-objective optimization problems. Experimental results show the effectiveness of MA-DAC in not only achieving superior performance compared with other configuration tuning approaches based on heuristic rules, multi-armed bandits, and single-agent RL, but also being capable of generalizing to different problem classes. Furthermore, we release the environments in this paper as a benchmark for testing MARL algorithms, with the hope of facilitating the application of MARL.
TaSIL: Taylor Series Imitation Learning
Authors: Daniel Pfrommer, Thomas Zhang, Stephen Tu, Nikolai Matni
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: We propose Taylor Series Imitation Learning (TaSIL), a simple augmentation to standard behavior cloning losses in the context of continuous control. TaSIL penalizes deviations in the higher-order Tayler series terms between the learned and expert policies. We show that experts satisfying a notion of incremental input-to-state stability are easy to learn, in the sense that that a small TaSIL-augmented imitation loss over expert trajectories guarantees a small imitation loss over trajectories generated by the learned policy.  We provide sample-complexity bounds for TaSIL that scale as $\tilde{\mathcal{O}}(1/n)$ in the realizable setting, for $n$ the number of expert demonstrations. Finally, we demonstrate experimentally the relationship between the robustness of the expert policy and the order of Taylor expansion required in TaSIL, and compare standard Behavior Cloning, DART, and DAgger with TaSIL-loss-augmented variants.  In all cases, we show significant improvement over baselines across a variety of MuJoCo tasks.
Experimental Design for Linear Functionals in Reproducing Kernel Hilbert Spaces
Authors: Mojmir Mutny, Andreas Krause
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Optimal experimental design seeks to determine the most informative allocation of experiments  to infer an unknown statistical quantity. In this work, we investigate optimal design of experiments for {\em estimation of linear functionals in reproducing kernel Hilbert spaces (RKHSs)}. This problem has been extensively studied in the linear regression setting under an estimability condition, which allows estimating parameters without bias. We generalize this framework to RKHSs, and allow for the linear functional to be only approximately inferred, i.e., with a fixed bias. This scenario captures many important modern applications such as estimation of gradient maps, integrals and solutions to differential equations. We provide algorithms for constructing bias-aware designs for linear functionals. We derive non-asymptotic confidence sets for fixed and adaptive designs under sub-Gaussian noise, enabling us to certify estimation with bounded error with high probability.
Continuous MDP Homomorphisms and Homomorphic Policy Gradient
Authors: Sahand Rezaei-Shoshtari, Rosie Zhao, Prakash Panangaden, David Meger, Doina Precup
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Abstraction has been widely studied as a way to improve the efficiency and generalization of reinforcement learning algorithms. In this paper, we study abstraction in the continuous-control setting. We extend the definition of MDP homomorphisms to encompass continuous actions in continuous state spaces.  We derive a policy gradient theorem on the abstract MDP, which allows us to leverage approximate symmetries of the environment for policy optimization. Based on this theorem, we propose an actor-critic algorithm that is able to learn the policy and the MDP homomorphism map simultaneously, using the lax bisimulation metric.  We demonstrate the effectiveness of our method on benchmark tasks in the DeepMind Control Suite.  Our method's ability to utilize MDP homomorphisms for representation learning leads to improved performance when learning from pixel observations.
Score-based Generative Modeling Secretly Minimizes the Wasserstein Distance
Authors: Dohyun Kwon, Ying Fan, Kangwook Lee
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Score-based generative models are shown to achieve remarkable empirical performances in various applications such as image generation and audio synthesis. However, a theoretical understanding of score-based diffusion models is still incomplete. Recently, Song et al. showed that the training objective of score-based generative models is equivalent to minimizing the Kullback-Leibler divergence of the generated distribution from the data distribution. In this work, we show that score-based models also minimize the Wasserstein distance between them. Specifically, we prove that the Wasserstein distance is upper bounded by the square root of the objective function up to multiplicative constants and a fixed constant offset. Our proof is based on a novel application of the theory of optimal transport, which can be of independent interest to the society. Our numerical experiments support our findings. By analyzing our upper bounds, we provide a few techniques to obtain tighter upper bounds.
Uncertainty-Aware Reinforcement Learning for Risk-Sensitive Player Evaluation in Sports Game
Authors: Guiliang Liu, Yudong Luo, Oliver Schulte, Pascal Poupart
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: A major task of sports analytics is player evaluation. Previous methods commonly measured the impact of players' actions on desirable outcomes (e.g., goals or winning) without considering the risk induced by stochastic game dynamics.  In this paper, we design an uncertainty-aware Reinforcement Learning (RL) framework to learn a risk-sensitive player evaluation metric from stochastic game dynamics. To embed the risk of a player’s movements into the distribution of action-values, we model their 1) aleatoric uncertainty, which represents the intrinsic stochasticity in a sports game, and 2) epistemic uncertainty, which is due to a model's insufficient knowledge regarding Out-of-Distribution (OoD) samples. We demonstrate how a distributional Bellman operator and a feature-space density model can capture these uncertainties. Based on such uncertainty estimation, we propose a Risk-sensitive Game Impact Metric (RiGIM) that measures players' performance over a season by conditioning on a specific confidence level. Empirical evaluation, based on over 9M play-by-play ice hockey and soccer events, shows that RiGIM correlates highly with standard success measures and has a consistent risk sensitivity.
End-to-end Algorithm Synthesis with Recurrent Networks: Extrapolation without Overthinking
Authors: Arpit Bansal, Avi Schwarzschild, Eitan Borgnia, Zeyad Emam, Furong Huang, Micah Goldblum, Tom Goldstein
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Machine learning systems perform well on pattern matching tasks, but their ability to perform algorithmic or logical reasoning is not well understood. One important reasoning capability is algorithmic extrapolation, in which models trained only on small/simple reasoning problems can synthesize complex strategies for large/complex problems at test time. Algorithmic extrapolation can be achieved through recurrent systems, which can be iterated many times to solve difficult reasoning problems. We observe that this approach fails to scale to highly complex problems because behavior degenerates when many iterations are applied -- an issue we refer to as "overthinking." We propose a recall architecture that keeps an explicit copy of the problem instance in memory so that it cannot be forgotten. We also employ a progressive training routine that prevents the model from learning behaviors that are specific to iteration number and instead pushes it to learn behaviors that can be repeated indefinitely. These innovations prevent the overthinking problem, and enable recurrent systems to solve extremely hard extrapolation tasks.
Smooth Fictitious Play in Stochastic Games with Perturbed Payoffs and Unknown Transitions
Authors: Lucas Baudin, Rida Laraki
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Recent extensions to dynamic games of the well known fictitious play learning procedure in static games were proved to globally converge to stationary Nash equilibria in two important classes of dynamic games (zero-sum and identical-interest discounted stochastic games). However, those decentralized algorithms need the players to know exactly the model (the transition probabilities and their payoffs at every stage). To overcome these strong assumptions, our paper introduces regularizations of the recent algorithms which are moreover, model-free (players don't know the transitions and their payoffs are perturbed at every stage). Our novel procedures can be interpreted as extensions to stochastic games of the classical smooth fictitious play learning procedures in static games (where players best responses are regularized, thanks to a smooth perturbation of their payoff functions). We prove the convergence of our family of procedures to stationary regularized Nash equilibria in the same classes of dynamic games (zero-sum and identical interests discounted stochastic games). The proof uses the continuous smooth best-response dynamics counterparts, and stochastic approximation methods. In the case of a MDP (a one-player stochastic game), our procedures globally converge to the optimal stationary policy of the regularized problem. In that sense, they can be seen as an alternative to the well known Q-learning procedure.
OOD Link Prediction Generalization Capabilities of Message-Passing GNNs in Larger Test Graphs
Authors: Yangze Zhou, Gitta Kutyniok, Bruno Ribeiro
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: This work provides the first theoretical study on the ability of graph Message Passing Neural Networks (gMPNNs) ---such as Graph Neural Networks (GNNs)--- to perform inductive out-of-distribution (OOD) link prediction tasks, where deployment (test) graph sizes are larger than training graphs. We first prove non-asymptotic bounds showing that link predictors based on permutation-equivariant (structural) node embeddings obtained by gMPNNs can converge to a random guess as test graphs get larger. We then propose a theoretically-sound gMPNN that outputs structural pairwise (2-node) embeddings and prove non-asymptotic bounds showing that, as test graphs grow, these embeddings converge to embeddings of a continuous function that retains its ability to predict links OOD. Empirical results on random graphs show agreement with our theoretical results.
Algorithms with Prediction Portfolios
Authors: Michael Dinitz, Sungjin Im, Thomas Lavastida, Benjamin Moseley, Sergei Vassilvitskii
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: The research area of algorithms with predictions has seen recent success showing how to incorporate machine learning into algorithm design to improve performance when the predictions are correct, while retaining worst-case guarantees when they are not.  Most previous work has assumed that the algorithm has access to a single predictor. However, in practice, there are many machine learning methods available, often with incomparable generalization guarantees, making it hard to pick a best method a priori. In this work we consider scenarios where multiple predictors are available to the algorithm and the question is how to best utilize them. Ideally, we would like the algorithm's performance to depend on the quality of the {\em best} predictor.  However, utilizing more predictions comes with a cost, since we now have to identify which prediction is best.  We study the use of multiple predictors for a number of fundamental problems, including matching, load balancing, and non-clairvoyant scheduling, which have been well-studied in the single predictor setting. For each of these problems we introduce new algorithms that take advantage of multiple predictors, and prove bounds on the resulting performance.
A Unified Hard-Constraint Framework for Solving Geometrically Complex PDEs
Authors: Songming Liu, Hao Zhongkai, Chengyang Ying, Hang Su, Jun Zhu, Ze Cheng
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: We present a unified hard-constraint framework for solving geometrically complex PDEs with neural networks, where the most commonly used Dirichlet, Neumann, and Robin boundary conditions (BCs) are considered. Specifically, we first introduce the "extra fields'' from the mixed finite element method to reformulate the PDEs so as to equivalently transform the three types of BCs into linear forms. Based on the reformulation, we derive the general solutions of the BCs analytically, which are employed to construct an ansatz that automatically satisfies the BCs. With such a framework, we can train the neural networks without adding extra loss terms and thus efficiently handle geometrically complex PDEs, alleviating the unbalanced competition between the loss terms corresponding to the BCs and PDEs. We theoretically demonstrate that the "extra fields'' can stabilize the training process. Experimental results on real-world geometrically complex PDEs showcase the effectiveness of our method compared with state-of-the-art baselines.
Instability and Local Minima in GAN Training with Kernel Discriminators
Authors: Evan Becker, Parthe Pandit, Sundeep Rangan, Alyson K. Fletcher
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Generative Adversarial Networks (GANs) are a widely-used tool for generative modeling of complex data.  Despite their empirical success, the training of GANs is not fully understood due to the joint training of the generator and discriminator. This paper analyzes these joint dynamics when the true samples, as well as the generated samples, are discrete, finite sets, and the discriminator is kernel-based. A simple yet expressive framework for analyzing training called the $\textit{Isolated Points Model}$ is introduced. In the proposed model, the distance between true samples greatly exceeds the kernel width so that each generated point is influenced by at most one true point. The model enables precise characterization of the conditions for convergence both to good and bad minima. In particular, the analysis explains two common failure modes: (i) an approximate mode collapse and (ii) divergence. Numerical simulations are provided that predictably replicate these behaviors.
Versatile Multi-stage Graph Neural Network for Circuit Representation
Authors: Shuwen Yang, Zhihao Yang, Dong Li, Yingxueff Zhang, Zhanguang Zhang, Guojie Song, Jianye Hao
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Due to the rapid growth in the scale of circuits and the desire for knowledge transfer from old designs to new ones, deep learning technologies have been widely exploited in Electronic Design Automation (EDA) to assist circuit design. In chip design cycles, we might encounter heterogeneous and diverse information sources, including the two most informative ones: the netlist and the design layout. However, handling each information source independently is sub-optimal. In this paper, we propose a novel way to integrate the multiple information sources under a unified heterogeneous graph named Circuit Graph, where topological and geometrical information is well integrated. Then, we propose Circuit GNN to fully utilize the features of vertices, edges as well as heterogeneous information during the message passing process. It is the first attempt to design a versatile circuit representation that is compatible across multiple EDA tasks and stages. Experiments on the two most representative prediction tasks in EDA show that our solution reaches state-of-the-art performance in both logic synthesis and global placement chip design stages. Besides, it achieves a 10x speed-up on congestion prediction compared to the state-of-the-art model.
Non-Stationary Bandits under Recharging Payoffs: Improved Planning with Sublinear Regret
Authors: Orestis Papadigenopoulos, Constantine Caramanis, Sanjay Shakkottai
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: The stochastic multi-armed bandit setting has been recently studied in the non-stationary regime, where the mean payoff of each action is a non-decreasing function of the number of rounds passed since it was last played. This model captures natural behavioral aspects of the users which crucially determine the performance of recommendation platforms, ad placement systems, and more. Even assuming prior knowledge of the mean payoff functions, computing an optimal planning in the above model is NP-hard, while the state-of-the-art is a $1/4$-approximation algorithm for the case where at most one arm can be played per round. We first focus on the setting where the mean payoff functions are known. In this setting, we significantly improve the best-known guarantees for the planning problem by developing a polynomial-time $(1-{1}/{e})$-approximation algorithm (asymptotically and in expectation), based on a novel combination of randomized LP rounding and a time-correlated (interleaved) scheduling method. Furthermore, our algorithm achieves improved guarantees -- compared to prior work -- for the case where more than one arms can be played at each round. Moving to the bandit setting, when the mean payoff functions are initially unknown, we show how our algorithm can be transformed into a bandit algorithm with sublinear regret.
Optimal and Adaptive Monteiro-Svaiter Acceleration
Authors: Yair Carmon, Danielle Hausler, Arun Jambulapati, Yujia Jin, Aaron Sidford
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: We develop a variant of the Monteiro-Svaiter (MS) acceleration framework that removes the need to solve an expensive implicit equation at every iteration. Consequently, for any $p\ge 2$ we improve the complexity of convex optimization with Lipschitz $p$th derivative by a logarithmic factor,  matching a lower bound. We also introduce an MS subproblem solver that requires no knowledge of problem parameters, and implement it as either a second- or first-order method by solving linear systems or applying MinRes, respectively. On logistic regression problems our method outperforms previous accelerated second-order methods, but under-performs Newton's method; simply iterating our first-order adaptive subproblem solver is competitive with L-BFGS.