mtybilly/Instruct2DS huggingface dataset:
Embedding Principle of Loss Landscape of Deep Neural Networks
Authors: Yaoyu Zhang, Zhongwang Zhang, Tao Luo, Zhiqin J Xu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Understanding the structure of loss landscape of deep neural networks (DNNs) is obviously important. In this work, we prove an embedding principle that the loss landscape of a DNN "contains" all the critical points of all the narrower DNNs. More precisely, we propose a critical embedding such that any critical point, e.g., local or global minima, of a narrower DNN can be embedded to a critical point/affine subspace of the target DNN with higher degeneracy and preserving the DNN output function. Note that, given any training data, differentiable loss function and differentiable activation function, this embedding structure of critical points holds.This general structure of DNNs is starkly different from other nonconvex problems such as protein-folding.Empirically, we find that a wide DNN is often attracted by highly-degenerate critical points that are embedded from narrow DNNs. The embedding principle provides a new perspective to study the general easy optimization of wide DNNs and unravels a potential implicit low-complexity regularization during the training.Overall, our work provides a skeleton for the study of loss landscape of DNNs and its implication, by which a more exact and comprehensive understanding can be anticipated in the near future.
Adversarial Reweighting for Partial Domain Adaptation
Authors: Xiang Gu, Xi Yu, yan yang, Jian Sun, Zongben Xu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Partial domain adaptation (PDA) has gained much attention due to its practical setting. The current PDA methods usually adapt the feature extractor by aligning the target and reweighted source domain distributions. In this paper, we experimentally find that the feature adaptation by the reweighted distribution alignment in some state-of-the-art PDA methods is not robust to the ``noisy'' weights of source domain data, leading to negative domain transfer on some challenging benchmarks. To tackle the challenge of negative domain transfer, we propose a novel Adversarial Reweighting (AR) approach that adversarially learns the weights of source domain data to align the source and target domain distributions, and the transferable deep recognition network is learned on the reweighted source domain data. Based on this idea, we propose a training algorithm that alternately updates the parameters of the network and optimizes the weights of source domain data. Extensive experiments show that our method achieves state-of-the-art results on the benchmarks of ImageNet-Caltech, Office-Home, VisDA-2017, and DomainNet. Ablation studies also confirm the effectiveness of our approach.
M-FAC: Efficient Matrix-Free Approximations of Second-Order Information
Authors: Elias Frantar, Eldar Kurtic, Dan Alistarh
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Efficiently approximating local curvature information of the loss function is a useful tool for the optimization and compression of deep neural networks. Yet, most existing methods to approximate second-order information have high computational or storage costs, limiting their practicality. In this work, we investigate matrix-free approaches for estimating Inverse-Hessian Vector Products (IHVPs) for the case when the Hessian can be approximated as a sum of rank-one matrices, as in the classic approximation of the Hessian by the empirical Fisher matrix. The first algorithm we propose is tailored towards network compression and can compute the IHVP for dimension $d$ given a fixed set of $m$ rank-one matrices using $O(dm^2)$ precomputation, $O(dm)$ cost for computing the IHVP and query cost $O(m)$ for computing any single element of the inverse Hessian approximation. The second algorithm targets an optimization setting, where we wish to compute the product between the inverse Hessian, estimated over a sliding  window of optimization steps, and a given gradient direction. We give an algorithm with cost $O(dm + m^2)$ for computing the IHVP and $O(dm + m^3)$ for adding or removing any gradient from the sliding window. We show that both algorithms yield competitive results for network pruning and optimization, respectively, with significantly lower computational overhead relative to existing second-order methods.
Graph Adversarial Self-Supervised Learning
Authors: Longqi Yang, Liangliang Zhang, Wenjing Yang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: This paper studies a long-standing problem of learning the representations of a whole graph without human supervision. The recent self-supervised learning methods train models to be invariant to the transformations (views) of the inputs. However, designing these views requires the experience of human experts. Inspired by adversarial training, we propose an adversarial self-supervised learning (\texttt{GASSL}) framework for learning unsupervised representations of graph data without any handcrafted views. \texttt{GASSL} automatically generates challenging views by adding perturbations to the input and are adversarially trained with respect to the encoder. Our method optimizes the min-max problem and utilizes a gradient accumulation strategy to accelerate the training process. Experimental on ten graph classification datasets show that the proposed approach is superior to state-of-the-art self-supervised learning baselines, which are competitive with supervised models.
Anti-Backdoor Learning: Training Clean Models on Poisoned Data
Authors: Yige Li, Xixiang Lyu, Nodens Koren, Lingjuan Lyu, Bo Li, Xingjun Ma
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Backdoor attack has emerged as a major security threat to deep neural networks (DNNs). While existing defense methods have demonstrated promising results on detecting or erasing backdoors, it is still not clear whether robust training methods can be devised to prevent the backdoor triggers being injected into the trained model in the first place. In this paper, we introduce the concept of \emph{anti-backdoor learning}, aiming to train \emph{clean} models given backdoor-poisoned data. We frame the overall learning process as a dual-task of learning the \emph{clean} and the \emph{backdoor} portions of data. From this view, we identify two inherent characteristics of backdoor attacks as their weaknesses: 1) the models learn backdoored data much faster than learning with clean data, and the stronger the attack the faster the model converges on backdoored data; 2) the backdoor task is tied to a specific class (the backdoor target class). Based on these two weaknesses, we propose a general learning scheme, Anti-Backdoor Learning (ABL), to automatically prevent backdoor attacks during training. ABL introduces a two-stage \emph{gradient ascent} mechanism for standard training to 1) help isolate backdoor examples at an early training stage, and 2) break the correlation between backdoor examples and the target class at a later training stage. Through extensive experiments on multiple benchmark datasets against 10 state-of-the-art attacks, we empirically show that ABL-trained models on backdoor-poisoned data achieve the same performance as they were trained on purely clean data. Code is available at \url{https://github.com/bboylyg/ABL}.
Locally Most Powerful Bayesian Test for Out-of-Distribution Detection using Deep Generative Models
Authors: Keunseo Kim, JunCheol Shin, Heeyoung Kim
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Several out-of-distribution (OOD) detection scores have been recently proposed for deep generative models because the direct use of the likelihood threshold for OOD detection has been shown to be problematic. In this paper, we propose a new OOD score based on a Bayesian hypothesis test called the locally most powerful Bayesian test (LMPBT). The LMPBT is locally most powerful in that the alternative hypothesis (the representative parameter for the OOD sample) is specified to maximize the probability that the Bayes factor exceeds the evidence threshold in favor of the alternative hypothesis provided that the parameter specified under the alternative hypothesis is in the neighborhood of the parameter specified under the null hypothesis. That is, under this neighborhood parameter condition, the test with the proposed alternative hypothesis maximizes the probability of correct detection of OOD samples. We also propose numerical strategies for more efficient and reliable computation of the LMPBT for practical application to deep generative models. Evaluations conducted of the OOD detection performance of the LMPBT on various benchmark datasets demonstrate its superior performance over existing OOD detection methods.
Stable Neural ODE with Lyapunov-Stable Equilibrium Points for Defending Against Adversarial Attacks
Authors: Qiyu Kang, Yang Song, Qinxu Ding, Wee Peng Tay
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Deep neural networks (DNNs) are well-known to be vulnerable to adversarial attacks, where malicious human-imperceptible perturbations are included in the input to the deep network to fool it into making a wrong classification. Recent studies have demonstrated that neural Ordinary Differential Equations (ODEs) are intrinsically more robust against adversarial attacks compared to vanilla DNNs. In this work, we propose a neural ODE with Lyapunov-stable equilibrium points for defending against adversarial attacks (SODEF). By ensuring that the equilibrium points of the ODE solution used as part of SODEF are Lyapunov-stable, the ODE solution for an input with a small perturbation converges to the same solution as the unperturbed input. We provide theoretical results that give insights into the stability of SODEF as well as the choice of regularizers to ensure its stability. Our analysis suggests that our proposed regularizers force the extracted feature points to be within a neighborhood of the Lyapunov-stable equilibrium points of the SODEF ODE. SODEF is compatible with many defense methods and can be applied to any neural network's final regressor layer to enhance its stability against adversarial attacks.
Robust Compressed Sensing MRI with Deep Generative Priors
Authors: Ajil Jalal, Marius Arvinte, Giannis Daras, ecprice, Alexandros G Dimakis, Jon Tamir
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The CSGM framework (Bora-Jalal-Price-Dimakis'17) has shown that deepgenerative priors can be powerful tools for solving inverse problems.However, to date this framework has been empirically successful only oncertain datasets (for example, human faces and MNIST digits), and itis known to perform poorly on out-of-distribution samples. In thispaper, we present the first successful application of the CSGMframework on clinical MRI data. We train a generative prior on brainscans from the fastMRI dataset, and show that posterior sampling viaLangevin dynamics achieves high quality reconstructions. Furthermore,our experiments and theory show that posterior sampling is robust tochanges in the ground-truth distribution and measurement process.Our code and models are available at: \url{https://github.com/utcsilab/csgm-mri-langevin}.
H-NeRF: Neural Radiance Fields for Rendering and Temporal Reconstruction of Humans in Motion
Authors: Hongyi Xu, Thiemo Alldieck, Cristian Sminchisescu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We present neural radiance fields for rendering and temporal (4D) reconstruction of humans in motion (H-NeRF), as captured by a sparse set of cameras or even from a monocular video. Our approach combines ideas from neural scene representation, novel-view synthesis, and implicit statistical geometric human representations, coupled using novel loss functions. Instead of learning a radiance field with a uniform occupancy prior, we constrain it by a structured implicit human body model, represented using signed distance functions. This allows us to robustly fuse information from sparse views and generalize well beyond the poses or views observed in training. Moreover, we apply geometric constraints to co-learn the structure of the observed subject -- including both body and clothing -- and to regularize the radiance field to geometrically plausible solutions. Extensive experiments on multiple datasets demonstrate the robustness and the accuracy of our approach, its generalization capabilities significantly outside a small training set of poses and views, and statistical extrapolation beyond the observed shape.
DOBF: A Deobfuscation Pre-Training Objective for Programming Languages
Authors: Marie-Anne Lachaux, Baptiste Roziere, Marc Szafraniec, Guillaume Lample
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Recent advances in self-supervised learning have dramatically improved the state of the art on a wide variety of tasks. However, research in language model pre-training has mostly focused on natural languages, and it is unclear whether models like BERT and its variants provide the best pre-training when applied to other modalities, such as source code. In this paper, we introduce a new pre-training objective, DOBF, that leverages the structural aspect of programming languages and pre-trains a model to recover the original version of obfuscated source code. We show that models pre-trained with DOBF significantly outperform existing approaches on multiple downstream tasks, providing relative improvements of up to 12.2% in unsupervised code translation, and 5.3% in natural language code search. Incidentally, we found that our pre-trained model is able to deobfuscate fully obfuscated source files, and to suggest descriptive variable names.
Detecting Errors and Estimating Accuracy on Unlabeled Data with Self-training  Ensembles
Authors: Jiefeng Chen, Frederick Liu, Besim Avci, Xi Wu, Yingyu Liang, Somesh Jha
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: When a deep learning model is deployed in the wild, it can encounter test data drawn from distributions different from the training data distribution and suffer drop in performance. For safe deployment, it is essential to estimate the accuracy of the pre-trained model on the test data. However, the labels for the test inputs are usually not immediately available in practice, and obtaining them can be expensive. This observation leads to two challenging tasks: (1) unsupervised accuracy estimation, which aims to estimate the accuracy of a pre-trained classifier on a set of unlabeled test inputs; (2) error detection, which aims to identify mis-classified test inputs. In this paper, we propose a principled and practically effective framework that simultaneously addresses the two tasks. The proposed framework iteratively learns an ensemble of models to identify mis-classified data points and performs self-training to improve the ensemble with the identified points. Theoretical analysis demonstrates that our framework enjoys provable guarantees for both accuracy estimation and error detection under mild conditions readily satisfied by practical deep learning models. Along with the framework, we proposed and experimented with two instantiations and achieved state-of-the-art results on 59 tasks. For example, on iWildCam, one instantiation reduces the estimation error for unsupervised accuracy estimation by at least 70% and improves the F1 score for error detection by at least 4.7% compared to existing methods.
Exploiting Chain Rule and Bayes' Theorem to Compare Probability Distributions
Authors: Huangjie Zheng, Mingyuan Zhou
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: To measure the difference between two probability distributions, referred to as the source and target, respectively, we exploit both the chain rule and Bayes' theorem to construct conditional transport (CT), which is constituted by both a forward component and a backward one. The forward CT is the expected cost of moving a source data point to a target one, with their joint distribution defined by the product of the source probability density function (PDF) and a source-dependent conditional distribution, which is related to the target PDF via Bayes' theorem. The backward CT is defined by reversing the direction. The CT cost can be approximated by replacing the source and target PDFs with their discrete empirical distributions supported on mini-batches, making it amenable to implicit distributions and stochastic gradient descent-based optimization. When applied to train a generative model, CT is shown to strike a good balance between mode-covering and mode-seeking behaviors and strongly resist mode collapse. On a wide variety of benchmark datasets for generative modeling, substituting the default statistical distance of an existing generative adversarial network with CT is shown to consistently improve the performance. PyTorch code is provided.
Actively Identifying Causal Effects with Latent Variables Given Only Response Variable Observable
Authors: Tian-Zuo Wang, Zhi-Hua Zhou
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In many real tasks, it is generally desired to study the causal effect on a specific target (response variable) only, with no need to identify the thorough causal effects involving all variables. In this paper, we attempt to identify such effects by a few active interventions where only the response variable is observable. This task is challenging because the causal graph is unknown and even there may exist latent confounders. To learn the necessary structure for identifying the effects, we provide the graphical characterization that allows us to efficiently estimate all possible causal effects in a partially mixed ancestral graph (PMAG) by generalized back-door criterion. The characterization guides learning a local structure with the interventional data. Theoretical analysis and empirical studies validate the effectiveness and efficiency of our proposed approach.
Interventional Sum-Product Networks: Causal Inference with Tractable Probabilistic Models
Authors: Matej Zečević, Devendra Dhami, Athresh Karanam, Sriraam Natarajan, Kristian Kersting
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: While probabilistic models are an important tool for studying causality, doing so suffers from the intractability of inference. As a step towards tractable causal models, we consider the problem of learning interventional distributions using sum-product networks (SPNs) that are over-parameterized by gate functions, e.g., neural networks. Providing an arbitrarily intervened causal graph as input, effectively subsuming Pearl's do-operator, the gate function predicts the parameters of the SPN. The resulting interventional SPNs are motivated and illustrated by a structural causal model themed around personal health. Our empirical evaluation against competing methods from both generative and causal modelling demonstrates that interventional SPNs indeed are both expressive and causally adequate.
PettingZoo: Gym for Multi-Agent Reinforcement Learning
Authors: J Terry, Benjamin Black, Nathaniel Grammel, Mario Jayakumar, Ananth Hari, Ryan Sullivan, Luis S Santos, Clemens Dieffendahl, Caroline Horsch, Rodrigo Perez-Vicente, Niall Williams, Yashas Lokesh, Praveen Ravi
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: This paper introduces the PettingZoo library and the accompanying Agent Environment Cycle ("AEC") games model. PettingZoo is a library of diverse sets of multi-agent environments with a universal, elegant Python API. PettingZoo was developed with the goal of accelerating research in Multi-Agent Reinforcement Learning ("MARL"), by making work more interchangeable, accessible and reproducible akin to what OpenAI's Gym library did for single-agent reinforcement learning. PettingZoo's API, while inheriting many features of Gym, is unique amongst MARL APIs in that it's based around the novel AEC games model. We argue, in part through case studies on major problems in popular MARL environments, that the popular game models are poor conceptual models of the games commonly used with MARL, that they promote severe bugs that are hard to detect, and that the AEC games model addresses these problems.
Parametric Complexity Bounds for Approximating PDEs with Neural Networks
Authors: Tanya Marwah, Zachary Lipton, Andrej Risteski
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Recent experiments have shown that deep networks can approximate solutions to high-dimensional PDEs, seemingly escaping the curse of dimensionality. However, questions regarding the theoretical basis for such approximations, including the required network size remain open. In this paper, we investigate the representational power of neural networks for approximating solutions to linear elliptic PDEs with Dirichlet boundary conditions. We prove that when a PDE's coefficients are representable by small neural networks, the parameters required to approximate its solution scale polynomially with the input dimension $d$ and proportionally to the parameter counts of the coefficient networks. To this end, we develop a proof technique that simulates gradient descent (in an appropriate Hilbert space) by growing a neural network architecture whose iterates each participate as sub-networks in their (slightly larger) successors, and converge to the solution of the PDE.
Learning-to-learn non-convex piecewise-Lipschitz functions
Authors: Maria-Florina F Balcan, Mikhail Khodak, Dravyansh Sharma, Ameet Talwalkar
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We analyze the meta-learning of the initialization and step-size of learning algorithms for piecewise-Lipschitz functions, a non-convex setting with applications to both machine learning and algorithms. Starting from recent regret bounds for the exponential forecaster on losses with dispersed discontinuities, we generalize them to be initialization-dependent and then use this result to propose a practical meta-learning procedure that learns both the initialization and the step-size of the algorithm from multiple online learning tasks. Asymptotically, we guarantee that the average regret across tasks scales with a natural notion of task-similarity that measures the amount of overlap between near-optimal regions of different tasks. Finally, we instantiate the method and its guarantee in two important settings: robust meta-learning and multi-task data-driven algorithm design.
Uncertain Decisions Facilitate Better Preference Learning
Authors: Cassidy Laidlaw, Stuart J. Russell
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Existing observational approaches for learning human preferences, such as inverse reinforcement learning, usually make strong assumptions about the observability of the human's environment. However, in reality, people make many important decisions under uncertainty. To better understand preference learning in these cases, we study the setting of inverse decision theory (IDT), a previously proposed framework where a human is observed making non-sequential binary decisions under uncertainty. In IDT, the human's preferences are conveyed through their loss function, which expresses a tradeoff between different types of mistakes. We give the first statistical analysis of IDT, providing conditions necessary to identify these preferences and characterizing the sample complexity—the number of decisions that must be observed to learn the tradeoff the human is making to a desired precision. Interestingly, we show that it is actually easier to identify preferences when the decision problem is more uncertain. Furthermore, uncertain decision problems allow us to relax the unrealistic assumption that the human is an optimal decision maker but still identify their exact preferences; we give sample complexities in this suboptimal case as well. Our analysis contradicts the intuition that partial observability should make preference learning more difficult. It also provides a first step towards understanding and improving preference learning methods for uncertain and suboptimal humans.
Decision Transformer: Reinforcement Learning via Sequence Modeling
Authors: Lili Chen, Kevin Lu, Aravind Rajeswaran, Kimin Lee, Aditya Grover, Misha Laskin, Pieter Abbeel, Aravind Srinivas, Igor Mordatch
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We introduce a framework that abstracts Reinforcement Learning (RL) as a sequence modeling problem. This allows us to draw upon the simplicity and scalability of the Transformer architecture, and associated advances in language modeling such as GPT-x and BERT. In particular, we present Decision Transformer, an architecture that casts the problem of RL as conditional sequence modeling. Unlike prior approaches to RL that fit value functions or compute policy gradients, Decision Transformer simply outputs the optimal actions by leveraging a causally masked Transformer. By conditioning an autoregressive model on the desired return (reward), past states, and actions, our Decision Transformer model can generate future actions that achieve the desired return. Despite its simplicity, Decision Transformer matches or exceeds the performance of state-of-the-art model-free offline RL baselines on Atari, OpenAI Gym, and Key-to-Door tasks.
Probability Paths and the Structure of Predictions over Time
Authors: Zhiyuan Jerry Lin, Hao Sheng, Sharad Goel
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In settings ranging from weather forecasts to political prognostications to financial projections, probability estimates of future binary outcomes often evolve over time. For example, the estimated likelihood of rain on a specific day changes by the hour as new information becomes available. Given a collection of such probability paths, we introduce a Bayesian framework -- which we call the Gaussian latent information martingale, or GLIM -- for modeling the structure of dynamic predictions over time. Suppose, for example, that the likelihood of rain in a week is 50%, and consider two hypothetical scenarios. In the first, one expects the forecast to be equally likely to become either 25% or 75% tomorrow; in the second, one expects the forecast to stay constant for the next several days. A time-sensitive decision-maker might select a course of action immediately in the latter scenario, but may postpone their decision in the former, knowing that new information is imminent. We model these trajectories by assuming predictions update according to a latent process of information flow, which is inferred from historical data. In contrast to general methods for time series analysis, this approach preserves important properties of probability paths such as the martingale structure and appropriate amount of volatility and better quantifies future uncertainties around probability paths. We show that GLIM outperforms three popular baseline methods, producing better estimated posterior probability path distributions measured by three different metrics. By elucidating the dynamic structure of predictions over time, we hope to help individuals make more informed choices.
Deep Extended Hazard Models for Survival Analysis
Authors: Qixian Zhong, Jonas W Mueller, Jane-Ling Wang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Unlike standard prediction tasks, survival analysis requires modeling right censored data, which must be treated with care. While deep neural networks excel in traditional supervised learning, it remains unclear how to best utilize these models in survival analysis. A key question asks which data-generating assumptions of traditional survival models should be retained and which should be made more flexible via the function-approximating capabilities of neural networks. Rather than estimating the survival function targeted by most existing methods, we introduce a Deep Extended Hazard (DeepEH) model to provide a flexible and general framework for deep survival analysis. The extended hazard model includes the conventional Cox proportional hazards  and accelerated failure time models as special cases, so DeepEH subsumes the popular Deep Cox proportional hazard (DeepSurv) and Deep Accelerated Failure Time (DeepAFT) models. We additionally provide theoretical support for the proposed DeepEH model by establishing consistency and convergence rate of the survival function estimator, which underscore the attractive feature that deep learning is able to detect low-dimensional structure of data in high-dimensional space. Numerical experiments also provide evidence that the proposed methods outperform existing statistical and deep learning approaches to survival analysis.
TNASP: A Transformer-based NAS Predictor with a Self-evolution Framework
Authors: Shun Lu, Jixiang Li, Jianchao Tan, Sen Yang, Ji Liu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Predictor-based Neural Architecture Search (NAS) continues to be an important topic because it aims to mitigate the time-consuming search procedure of traditional NAS methods. A promising performance predictor determines the quality of final searched models in predictor-based NAS methods. Most existing predictor-based methodologies train model-based predictors under a proxy dataset setting, which may suffer from the accuracy decline and the generalization problem, mainly due to their poor abilities to represent spatial topology information of the graph structure data. Besides the poor encoding for spatial topology information, these works did not take advantage of the temporal information such as historical evaluations during training. Thus, we propose a Transformer-based NAS performance predictor, associated with a Laplacian matrix based positional encoding strategy, which better represents topology information and achieves better performance than previous state-of-the-art methods on NAS-Bench-101, NAS-Bench-201, and DARTS search space. Furthermore, we also propose a self-evolution framework that can fully utilize temporal information as guidance. This framework iteratively involves the evaluations of previously predicted results as constraints into current optimization iteration, thus further improving the performance of our predictor. Such framework is model-agnostic, thus can enhance performance on various backbone structures for the prediction task. Our proposed method helped us rank 2nd among all teams in CVPR 2021 NAS Competition Track 2: Performance Prediction Track.
Automorphic Equivalence-aware Graph Neural Network
Authors: Fengli Xu, Quanming Yao, Pan Hui, Yong Li
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Distinguishing the automorphic equivalence of nodes in a graph plays an essential role in many scientific domains, e.g., computational biologist and social network analysis. However, existing graph neural networks (GNNs) fail to capture such an important property. To make GNN aware of automorphic equivalence, we first introduce a localized variant of this concept --- ego-centered automorphic equivalence (Ego-AE). Then, we design a novel variant of GNN, i.e., GRAPE, that uses learnable AE-aware aggregators to explicitly differentiate the Ego-AE of each node's neighbors with the aids of various subgraph templates. While the design of subgraph templates can be hard, we further propose a genetic algorithm to automatically search them from graph data. Moreover, we theoretically prove that GRAPE is expressive in terms of generating distinct representations for nodes with different Ego-AE features, which fills in a fundamental gap of existing GNN variants. Finally, we empirically validate our model on eight real-world graph data, including social network, e-commerce co-purchase network, and citation network, and show that it consistently outperforms existing GNNs. The source code is public available at https://github.com/tsinghua-fib-lab/GRAPE.
Random Shuffling Beats SGD Only After Many Epochs on Ill-Conditioned Problems
Authors: Itay Safran, Ohad Shamir
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Recently, there has been much interest in studying the convergence rates of without-replacement SGD, and proving that it is faster than with-replacement SGD in the worst case. However, known lower bounds ignore the problem's geometry, including its condition number, whereas the upper bounds explicitly depend on it. Perhaps surprisingly, we prove that when the condition number is taken into account, without-replacement SGD \emph{does not} significantly improve on with-replacement SGD in terms of worst-case bounds, unless the number of epochs (passes over the data) is larger than the condition number. Since many problems in machine learning and other areas are both ill-conditioned and involve large datasets, this indicates that without-replacement does not necessarily improve over with-replacement sampling for realistic iteration budgets. We show this by providing new lower and upper bounds which are tight (up to log factors), for quadratic problems with commuting quadratic terms, precisely quantifying the dependence on the problem parameters.
Analytic Study of Families of Spurious Minima in Two-Layer ReLU Neural Networks: A Tale of Symmetry II
Authors: Yossi Arjevani, Michael Field
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We study the optimization problem associated with fitting two-layer ReLU neural networks with respect to the squared loss, where labels are generated by a target network. We make use of the rich symmetry structure to develop a novel set of tools for studying families of spurious minima. In contrast to existing approaches which operate in limiting regimes, our technique directly addresses the nonconvex loss landscape for finite number of inputs $d$ and neurons $k$, and provides analytic, rather than heuristic, information. In particular, we derive analytic estimates for the loss at different minima, and prove that, modulo $O(d^{-1/2})$-terms, the Hessian spectrum concentrates near small positive constants, with the exception of $\Theta(d)$ eigenvalues which grow linearly with~$d$. We further show that the Hessian spectrum at global and spurious minima coincide to $O(d^{-1/2})$-order, thus challenging our ability to argue about statistical generalization through local curvature. Lastly, our technique provides the exact \emph{fractional} dimensionality at which families of critical points turn from saddles into spurious minima. This makes possible the study of the creation and the annihilation of spurious minima using powerful tools from equivariant bifurcation theory.
CAM-GAN: Continual Adaptation Modules for Generative Adversarial Networks
Authors: Sakshi Varshney, Vinay Kumar Verma, P. K. Srijith, Lawrence Carin, Piyush Rai
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We present a continual learning approach for generative adversarial networks (GANs), by designing and leveraging parameter-efficient feature map transformations. Our approach is based on learning a set of global and task-specific parameters. The global parameters are fixed across tasks whereas the task-specific parameters act as local adapters for each task, and help in efficiently obtaining task-specific feature maps. Moreover, we propose an element-wise addition of residual bias in the transformed feature space, which further helps stabilize GAN training in such settings. Our approach also leverages task similarities based on the Fisher information matrix. Leveraging this knowledge from previous tasks significantly improves the model performance. In addition, the similarity measure also helps reduce the parameter growth in continual adaptation and helps to learn a compact model. In contrast to the recent approaches for continually-learned GANs, the proposed approach provides a memory-efficient way to perform effective continual data generation. Through extensive experiments on challenging and diverse datasets, we show that the feature-map-transformation approach outperforms state-of-the-art methods for continually-learned GANs, with substantially fewer parameters. The proposed method generates high-quality samples that can also improve the generative-replay-based continual learning for discriminative tasks.
Structured Dropout Variational Inference for Bayesian Neural Networks
Authors: Son Nguyen, Duong Nguyen, Khai Nguyen, Khoat Than, Hung Bui, Nhat Ho
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Approximate inference in Bayesian deep networks exhibits a dilemma of how to yield high fidelity posterior approximations while maintaining computational efficiency and scalability. We tackle this challenge by introducing a novel variational structured approximation inspired by the Bayesian interpretation of Dropout regularization. Concretely, we focus on the inflexibility of the factorized structure in Dropout posterior and then propose an improved method called Variational Structured Dropout (VSD). VSD employs an orthogonal transformation to learn a structured representation on the variational Gaussian noise with plausible complexity, and consequently induces statistical dependencies in the approximate posterior. Theoretically, VSD successfully addresses the pathologies of previous Variational Dropout methods and thus offers a standard Bayesian justification. We further show that VSD induces an adaptive regularization term with several desirable properties which contribute to better generalization. Finally, we conduct extensive experiments on standard benchmarks to demonstrate the effectiveness of VSD over state-of-the-art variational methods on predictive accuracy, uncertainty estimation, and out-of-distribution detection.
Neural Relightable Participating Media Rendering
Authors: Quan Zheng, Gurprit Singh, Hans-peter Seidel
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Learning neural radiance fields of a scene has recently allowed realistic novel view synthesis of the scene, but they are limited to synthesize images under the original fixed lighting condition. Therefore, they are not flexible for the eagerly desired tasks like relighting, scene editing and scene composition. To tackle this problem, several recent methods propose to disentangle reflectance and illumination from the radiance field. These methods can cope with solid objects with opaque surfaces but participating media are neglected. Also, they take into account only direct illumination or at most one-bounce indirect illumination, thus suffer from energy loss due to ignoring the high-order indirect illumination. We propose to learn neural representations for participating media with a complete simulation of global illumination. We estimate direct illumination via ray tracing and compute indirect illumination with spherical harmonics. Our approach avoids computing the lengthy indirect bounces and does not suffer from energy loss. Our experiments on multiple scenes show that our approach achieves superior visual quality and numerical performance compared to state-of-the-art methods, and it can generalize to deal with solid objects with opaque surfaces as well.
Efficient Neural Network Training via Forward and Backward Propagation Sparsification
Authors: Xiao Zhou, Weizhong Zhang, Zonghao Chen, SHIZHE DIAO, Tong Zhang
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Sparse training is a natural idea to accelerate the training speed of deep neural networks and save the memory usage, especially since large modern neural networks are significantly over-parameterized.  However, most of the existing methods cannot achieve this goal in practice because the chain rule based gradient (w.r.t. structure parameters) estimators adopted by previous methods require dense computation at least in the backward propagation step.  This paper solves this problem by proposing an efficient sparse training method with completely sparse forward and backward passes. We first formulate the training process as a continuous minimization problem under global sparsity constraint. We then separate the optimization process into two steps, corresponding to weight update and structure parameter update. For the former step, we use the conventional chain rule, which can be sparse via exploiting the sparse structure.  For the latter step, instead of using the chain rule based gradient estimators as in existing methods, we propose a variance reduced policy gradient estimator, which only requires two forward passes without backward propagation, thus achieving completely sparse training. We prove that the variance of our gradient estimator is bounded. Extensive experimental results on real-world datasets demonstrate that compared to previous methods, our algorithm is much more effective in accelerating the training process, up to an order of magnitude faster.
Learning to Ground Multi-Agent Communication with Autoencoders
Authors: Toru Lin, Jacob Huh, Christopher Stauffer, Ser Nam Lim, Phillip Isola
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Communication requires having a common language, a lingua franca, between agents. This language could emerge via a consensus process, but it may require many generations of trial and error. Alternatively, the lingua franca can be given by the environment, where agents ground their language in representations of the observed world. We demonstrate a simple way to ground language in learned representations, which facilitates decentralized multi-agent communication and coordination. We find that a standard representation learning algorithm -- autoencoding -- is sufficient for arriving at a grounded common language. When agents broadcast these representations, they learn to understand and respond to each other's utterances and achieve surprisingly strong task performance across a variety of multi-agent communication environments.
Large-Scale Wasserstein Gradient Flows
Authors: Petr Mokrov, Alexander Korotin, Lingxiao Li, Aude Genevay, Justin M Solomon, Evgeny Burnaev
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Wasserstein gradient flows provide a powerful means of understanding and solving many diffusion equations. Specifically, Fokker-Planck equations, which model the diffusion of probability measures, can be understood as gradient descent over entropy functionals in Wasserstein space. This equivalence, introduced by Jordan, Kinderlehrer and Otto, inspired the so-called JKO scheme to approximate these diffusion processes via an implicit discretization of the gradient flow in Wasserstein space. Solving the optimization problem associated with each JKO step, however, presents serious computational challenges. We introduce a scalable method to approximate Wasserstein gradient flows, targeted to machine learning applications. Our approach relies on input-convex neural networks (ICNNs) to discretize the JKO steps, which can be optimized by stochastic gradient descent. Contrarily to previous work, our method does not require domain discretization or particle simulation.  As a result, we can sample from the measure at each time step of the diffusion and compute its probability density. We demonstrate the performance of our algorithm by computing diffusions following the Fokker-Planck equation and apply it to unnormalized density sampling as well as nonlinear filtering.
Who Leads and Who Follows in Strategic Classification?
Authors: Tijana Zrnic, Eric Mazumdar, Shankar Sastry, Michael I. Jordan
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: As predictive models are deployed into the real world, they must increasingly contend with strategic behavior. A growing body of work on strategic classification treats this problem as a Stackelberg game: the decision-maker "leads" in the game by deploying a model, and the strategic agents "follow" by playing their best response to the deployed model. Importantly, in this framing, the burden of learning is placed solely on the decision-maker, while the agents’ best responses are implicitly treated as instantaneous. In this work, we argue that the order of play in strategic classification is fundamentally determined by the relative frequencies at which the decision-maker and the agents adapt to each other’s actions. In particular, by generalizing the standard model to allow both players to learn over time, we show that a decision-maker that makes updates faster than the agents can reverse the order of play, meaning that the agents lead and the decision-maker follows. We observe in standard learning settings that such a role reversal can be desirable for both the decision-maker and the strategic agents. Finally, we show that a decision-maker with the freedom to choose their update frequency can induce learning dynamics that converge to Stackelberg equilibria with either order of play.
Unadversarial Examples: Designing Objects for Robust Vision
Authors: Hadi Salman, Andrew Ilyas, Logan Engstrom, Sai Vemprala, Aleksander Madry, Ashish Kapoor
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We study a class of computer vision settings wherein one can modify the design of the objects being recognized. We develop a framework that leverages this capability---and deep networks' unusual sensitivity to input perturbations---to design ``robust objects,'' i.e., objects that are explicitly optimized to be confidently classified. Our framework yields improved performance on standard benchmarks, a simulated robotics environment, and physical-world experiments.
Deep Jump Learning for Off-Policy Evaluation in Continuous Treatment Settings
Authors: Hengrui Cai, Chengchun Shi, Rui Song, Wenbin Lu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We consider off-policy evaluation (OPE) in continuous treatment settings, such as personalized dose-finding. In OPE, one aims to estimate the mean outcome under a new treatment decision rule using historical data generated by a different decision rule. Most existing works on OPE focus on discrete treatment settings. To handle continuous treatments, we develop a novel estimation method for OPE using deep jump learning. The key ingredient of our method lies in adaptively discretizing the treatment space using deep discretization, by leveraging deep learning and multi-scale change point detection. This allows us to apply existing OPE methods in discrete treatments to handle continuous treatments. Our method is further justified by theoretical results, simulations, and a real application to Warfarin Dosing.