mtybilly/Instruct2DS huggingface dataset:
Bayes Consistency vs. H-Consistency: The Interplay between Surrogate Loss Functions and the Scoring Function Class
Authors: Shivani Agarwal Mingyuan Zhang
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: A fundamental question in multiclass classification concerns understanding the consistency properties of surrogate risk minimization algorithms, which minimize a (often convex) surrogate to the multiclass 0-1 loss. In particular, the framework of calibrated surrogates has played an important role in analyzing the Bayes consistency properties of such algorithms, i.e. in studying convergence to a Bayes optimal classifier (Zhang, 2004; Tewari and Bartlett, 2007). However, follow-up work has suggested this framework can be of limited value when studying H-consistency; in particular, concerns have been raised that even when the data comes from an underlying linear model, minimizing certain convex calibrated surrogates over linear scoring functions fails to recover the true model (Long and Servedio, 2013). In this paper, we investigate this apparent conundrum. We find that while some calibrated surrogates can indeed fail to provide H-consistency when minimized over a natural-looking but naively chosen scoring function class F, the situation can potentially be remedied by minimizing them over a more carefully chosen class of scoring functions F. In particular, for the popular one-vs-all hinge and logistic surrogates, both of which are calibrated (and therefore provide Bayes consistency) under realizable models, but were previously shown to pose problems for realizable H-consistency, we derive a form of scoring function class F that enables H-consistency. When H is the class of linear models, the class F consists of certain piecewise linear scoring functions that are characterized by the same number of parameters as in the linear case, and minimization over which can be performed using an adaptation of the min-pooling idea from neural network training. Our experiments confirm that the one-vs-all surrogates, when trained over this class of nonlinear scoring functions F, yield better linear multiclass classifiers than when trained over standard linear scoring functions.
Inverting Gradients - How easy is it to break privacy in federated learning?
Authors: Hartmut Bauermeister, Hannah Dröge, Michael Moeller Jonas Geiping
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: The idea of federated learning is to collaboratively train a neural network on a server. Each user receives the current weights of the network and in turns sends parameter updates (gradients) based on local data. This protocol has been designed not only to train neural networks data-efficiently, but also to provide privacy benefits for users, as their input data remains on device and only parameter gradients are shared. 
But how secure is sharing parameter gradients? Previous attacks have provided a false sense of security, by succeeding only in contrived settings - even for a single image. However, by exploiting a magnitude-invariant loss along with optimization strategies based on adversarial attacks, we show that is is actually possible to faithfully reconstruct images at high resolution from the knowledge of their parameter gradients, and demonstrate that such a break of privacy is possible even for trained deep networks.
We analyze the effects of architecture as well as parameters on the difficulty of reconstructing an input image and prove that any input to a fully connected layer can be reconstructed analytically independent of the remaining architecture. Finally we discuss settings encountered in practice and show that even averaging gradients over several iterations or several images does not protect the user's privacy in federated learning applications.
Dynamic allocation of limited memory resources in reinforcement learning
Authors: Luigi Acerbi, Alexandre Pouget Nisheet Patel
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Biological brains are inherently limited in their capacity to process and store information, but are nevertheless capable of solving complex tasks with apparent ease. Intelligent behavior is related to these limitations, since resource constraints drive the need to generalize and assign importance differentially to features in the environment or memories of past experiences. Recently, there have been parallel efforts in reinforcement learning and neuroscience to understand strategies adopted by artificial and biological agents to circumvent limitations in information storage. However, the two threads have been largely separate. In this article, we propose a dynamical framework to maximize expected reward under constraints of limited resources, which we implement with a cost function that penalizes precise representations of action-values in memory, each of which may vary in its precision. We derive from first principles an algorithm, Dynamic Resource Allocator (DRA), which we apply to two standard tasks in reinforcement learning and a model-based planning task, and find that it allocates more resources to items in memory that have a higher impact on cumulative rewards. Moreover, DRA learns faster when starting with a higher resource budget than what it eventually allocates for performing well on tasks, which may explain why frontal cortical areas in biological brains appear more engaged in early stages of learning before settling to lower asymptotic levels of activity. Our work provides a normative solution to the problem of learning how to allocate costly resources to a collection of uncertain memories in a manner that is capable of adapting to changes in the environment.
CryptoNAS: Private Inference on a ReLU Budget
Authors: Akshaj Kumar Veldanda, Brandon Reagen, Siddharth Garg Zahra Ghodsi
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Machine learning as a service has given raise to privacy concerns surrounding clients' data and providers' models and has catalyzed research in private inference (PI): methods to process inferences without disclosing inputs.
Recently, researchers have adapted cryptographic techniques to show PI is possible, however all solutions increase inference latency beyond practical limits. 
This paper makes the observation that existing models are ill-suited for PI and proposes a novel NAS method, named CryptoNAS, for finding and tailoring models to the needs of PI. The key insight is that in PI operator latency cost are inverted: 
non-linear operations (e.g., ReLU) dominate latency, while linear layers become effectively free. We develop the idea of a ReLU budget as a proxy for inference latency and use CryptoNAS to build models that maximize accuracy within a given budget. CryptoNAS improves accuracy by 3.4% and  latency by 2.4x over the state-of-the-art.
A Stochastic Path Integral Differential EstimatoR  Expectation Maximization Algorithm
Authors: Eric Moulines, Hoi-To Wai Gersende Fort
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: The Expectation Maximization (EM) algorithm is of key importance for inference in latent variable models including mixture of regressors and experts, missing observations. This paper introduces a novel EM algorithm, called {\tt SPIDER-EM}, for inference from a training set of size $n$, $n \gg 1$. At the core of our algorithm is an estimator of the full conditional expectation in the {\sf E}-step, adapted from the stochastic path integral differential estimator ({\tt SPIDER}) technique.  We derive finite-time complexity bounds for smooth non-convex likelihood: we show that for convergence to an $\epsilon$-approximate stationary point, the complexity scales as $K_{Opt} (n,\epsilon )={\cal O}(\epsilon^{-1})$ and $K_{CE}( n,\epsilon ) = n+ \sqrt{n} {\cal O}( \epsilon^{-1} )$, where $K_{Opt}( n,\epsilon )$ and $K_{CE}(n, \epsilon )$ are respectively the  number of {\sf M}-steps and  the number of per-sample conditional expectations evaluations. This improves over the state-of-the-art algorithms. Numerical results support our findings.
CHIP: A Hawkes Process Model for Continuous-time Networks with Scalable and Consistent Estimation
Authors: Subhadeep Paul, Kevin Xu Makan Arastuie
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: In many application settings involving networks, such as messages between users of an on-line social network or transactions between traders in financial markets, the observed data consist of timestamped relational events, which form a continuous-time network. We propose the Community Hawkes Independent Pairs (CHIP) generative model for such networks. We show that applying spectral clustering to an aggregated adjacency matrix constructed from the CHIP model provides consistent community detection for a growing number of nodes and time duration. We also develop consistent and computationally efficient estimators for the model parameters. We demonstrate that our proposed CHIP model and estimation procedure scales to large networks with tens of thousands of nodes and provides superior fits than existing continuous-time network models on several real networks.
SAC: Accelerating and Structuring Self-Attention via Sparse Adaptive Connection
Authors: Yuxian Meng, Mingxin Zhou, Qinghong Han, Fei Wu, Jiwei Li Xiaoya Li
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: While the self-attention mechanism has been widely used in a wide variety of tasks, it has the unfortunate property of a quadratic cost with respect to the input  length, which makes it difficult to deal with long inputs. In this paper, we present a  method for accelerating and structuring self-attentions: Sparse Adaptive Connection (SAC). In SAC, we regard the input sequence as a graph and attention operations are performed between linked nodes. In contrast with previous self-attention models with pre-defined structures (edges), the model learns to construct attention edges to  improve task-specific performances. 
In this way, the model is able to select the most salient nodes and reduce the quadratic complexity regardless of the sequence length. Based on SAC, we show that previous variants of self-attention models are its special cases. Through extensive experiments on neural machine translation, language modeling, graph representation learning and image classification, we demonstrate SAC is competitive with state-of-the-art models while significantly reducing  memory cost.
Design Space for Graph Neural Networks
Authors: Zhitao Ying, Jure Leskovec Jiaxuan You
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: The rapid evolution of Graph Neural Networks (GNNs) has led to a growing number of new architectures as well as novel applications. However, current research focuses on proposing and evaluating specific architectural designs of GNNs, such as GCN, GIN, or GAT, as opposed to studying the more general design space of GNNs that consists of a Cartesian product of different design dimensions, such as the number of layers or the type of the aggregation function. Additionally, GNN designs are often specialized to a single task, yet few efforts have been made to understand how to quickly find the best GNN design for a novel task or a novel dataset. Here we define and systematically study the architectural design space for GNNs which consists of 315,000 different designs over 32 different predictive tasks. Our approach features three key innovations: (1) A general GNN design space; (2) a GNN task space with a similarity metric, so that for a given novel task/dataset, we can quickly identify/transfer the best performing architecture; (3) an efficient and effective design space evaluation method which allows insights to be distilled from a huge number of model-task combinations. Our key results include: (1) A comprehensive set of guidelines for designing well-performing GNNs; (2) while best GNN designs for different tasks vary significantly, the GNN task space allows for transferring the best designs across different tasks; (3) models discovered using our design space achieve state-of-the-art performance. Overall, our work offers a principled and scalable approach to transition from studying individual GNN designs for specific tasks, to systematically studying the GNN design space and the task space. Finally, we release GraphGym, a powerful platform for exploring different GNN designs and tasks. GraphGym features modularized GNN implementation, standardized GNN evaluation, and reproducible and scalable experiment management.
HiFi-GAN: Generative Adversarial Networks for Efficient and High Fidelity Speech Synthesis
Authors: Jaehyeon Kim, Jaekyoung Bae Jungil Kong
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Several recent work on speech synthesis have employed generative adversarial networks (GANs) to produce raw waveforms. Although such methods improve the sampling efficiency and memory usage, their sample quality has not yet reached that of autoregressive and flow-based generative models. In this work, we propose HiFi-GAN, which achieves both efficient and high-fidelity speech synthesis. As speech audio consists of sinusoidal signals with various periods, we demonstrate that modeling periodic patterns of an audio is crucial for enhancing sample quality. A subjective human evaluation (mean opinion score, MOS) of a single speaker dataset indicates that our proposed method demonstrates similarity to human quality while generating 22.05 kHz high-fidelity audio 167.9 times faster than real-time on a single V100 GPU. We further show the generality of HiFi-GAN to the mel-spectrogram inversion of unseen speakers and end-to-end speech synthesis. Finally, a small footprint version of HiFi-GAN generates samples 13.4 times faster than real-time on CPU with comparable quality to an autoregressive counterpart.
Unbalanced Sobolev Descent
Authors: Mattia Rigotti Youssef Mroueh
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: We introduce Unbalanced Sobolev Descent (USD), a particle descent algorithm for transporting a high dimensional source distribution to a target distribution that does not necessarily have the same mass. We define the Sobolev-Fisher discrepancy between distributions and show that it relates to advection-reaction transport equations and the Wasserstein-Fisher-Rao metric between distributions. USD transports particles along gradient flows of the witness function of the Sobolev-Fisher discrepancy (advection step) and reweighs the mass of particles with respect to this witness function (reaction step). The reaction step can be thought of as a birth-death process of the particles with rate of growth proportional to the witness function. When the Sobolev-Fisher witness function is estimated in a Reproducing Kernel Hilbert Space (RKHS), under mild assumptions we show that USD converges asymptotically (in the limit of infinite particles) to the target distribution in the Maximum Mean Discrepancy (MMD) sense. We then give two methods to estimate the Sobolev-Fisher witness with neural networks, resulting in two Neural USD algorithms. The first one implements the reaction step with mirror descent on the weights, while the second implements it through a birth-death process of particles. We show on synthetic examples that USD transports distributions with or without conservation of mass faster than previous particle descent algorithms, and finally demonstrate its use for molecular biology analyses where our method is naturally suited to match developmental stages of populations of differentiating cells based on their single-cell RNA sequencing profile. Code is available at http://github.com/ibm/usd.
Identifying Mislabeled Data using the Area Under the Margin Ranking
Authors: Tianyi Zhang, Ethan Elenberg, Kilian Q. Weinberger Geoff Pleiss
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Not all data in a typical training set help with generalization; some samples can be overly ambiguous or outrightly mislabeled. This paper introduces a new method to identify such samples and mitigate their impact when training neural networks. At the heart of our algorithm is the Area Under the Margin (AUM) statistic, which exploits differences in the training dynamics of clean and mislabeled samples. A simple procedure - adding an extra class populated with purposefully mislabeled threshold samples - learns a AUM upper bound that isolates mislabeled data. This approach consistently improves upon prior work on synthetic and real-world datasets. On the WebVision50 classification task our method removes 17% of training data, yielding a 1.6% (absolute) improvement in test error. On CIFAR100 removing 13% of the data leads to a 1.2% drop in error.
Combining Deep Reinforcement Learning and Search for Imperfect-Information Games
Authors: Anton Bakhtin, Adam Lerer, Qucheng Gong Noam Brown
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: The combination of deep reinforcement learning and search at both training and test time is a powerful paradigm that has led to a number of successes in single-agent settings and perfect-information games, best exemplified by AlphaZero. However, prior algorithms of this form cannot cope with imperfect-information games. This paper presents ReBeL, a general framework for self-play reinforcement learning and search that provably converges to a Nash equilibrium in any two-player zero-sum game. In the simpler setting of perfect-information games, ReBeL reduces to an algorithm similar to AlphaZero. Results in two different imperfect-information games show ReBeL converges to an approximate Nash equilibrium. We also show ReBeL achieves superhuman performance in heads-up no-limit Texas hold'em poker, while using far less domain knowledge than any prior poker AI.
High-Throughput Synchronous Deep RL
Authors: Raymond Yeh, Alexander Schwing Iou-Jen Liu
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Various parallel actor-learner methods reduce long training times for deep reinforcement learning. Synchronous methods enjoy training stability while having lower data throughput. In contrast, asynchronous methods achieve high throughput but suffer from stability issues and lower sample efficiency due to ‘stale policies.’ To combine the advantages of both methods we propose High-Throughput Synchronous Deep Reinforcement Learning (HTS-RL). In HTS-RL, we perform learning and rollouts concurrently, devise a system design which avoids ‘stale policies’ and ensure that actors interact with environment replicas in an asynchronous manner while maintaining full determinism. We evaluate our approach on Atari games and the Google Research Football environment. Compared to synchronous baselines, HTS-RL is 2−6X faster. Compared to state-of-the-art asynchronous methods, HTS-RL has competitive throughput and consistently achieves higher average episode rewards.
Contrastive Learning with Adversarial Examples
Authors: Nuno Nvasconcelos Chih-Hui Ho
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Contrastive learning (CL) is a popular technique for self-supervised learning (SSL) of visual representations. It uses pairs of augmentations of unlabeled training examples to define a classification task for pretext learning of a deep embedding. Despite extensive works in augmentation procedures, prior works do not address the selection of challenging negative pairs, as images within a sampled batch are treated independently. This paper addresses the problem, by introducing a new family of adversarial examples for constrastive learning and using these examples to define a new adversarial training algorithm for SSL, denoted as CLAE. When compared to standard CL, the use of adversarial examples creates more challenging positive pairs and adversarial training produces harder negative pairs by accounting for all images in a batch during the optimization. CLAE is compatible with many CL methods in the literature. Experiments show that it improves the performance of several existing CL baselines on multiple datasets.
Mixed Hamiltonian Monte Carlo for Mixed Discrete and Continuous Variables
Authors: Guangyao Zhou
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Hamiltonian Monte Carlo (HMC) has emerged as a powerful Markov Chain Monte Carlo (MCMC) method to sample from complex continuous distributions. However, a fundamental limitation of HMC is that it can not be applied to distributions with mixed discrete and continuous variables. In this paper, we propose mixed HMC (M-HMC) as a general framework to address this limitation. M-HMC is a novel family of MCMC algorithms that evolves the discrete and continuous variables in tandem, allowing more frequent updates of discrete variables while maintaining HMC's ability to suppress random-walk behavior. We establish M-HMC's theoretical properties, and present an efficient implementation with Laplace momentum that introduces minimal overhead compared to existing HMC methods. The superior performances of M-HMC over existing methods are demonstrated with numerical experiments on Gaussian mixture models (GMMs), variable selection in Bayesian logistic regression (BLR), and correlated topic models (CTMs).
Adversarial Sparse Transformer for Time Series Forecasting
Authors: Xi Xiao, Qianggang Ding, Peilin Zhao, Ying Wei, Junzhou Huang Sifan Wu
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Many approaches have been proposed for time series forecasting, in light of its significance in wide applications including business demand prediction. 
However, the existing methods suffer from two key limitations. Firstly, most point prediction models only predict an exact value of each time step without flexibility, which can hardly capture the stochasticity of data. Even probabilistic prediction using the likelihood estimation suffers these problems in the same way. Besides, most of them use the auto-regressive generative mode, where ground-truth is provided during training and replaced by the network’s own one-step ahead output during inference, causing the error accumulation in inference. Thus they may fail to forecast time series for long time horizon due to the error accumulation. To solve these issues, in this paper, we propose a new time series forecasting model -- Adversarial Sparse Transformer (AST), based on Generated Adversarial Networks (GANs). Specifically, AST adopts a Sparse Transformer as the generator to learn a sparse attention map for time series forecasting, and uses a discriminator to improve the prediction performance from sequence level. Extensive experiments on several real-world datasets show the effectiveness and efficiency of our method.
The Surprising Simplicity of the Early-Time Learning Dynamics of Neural Networks
Authors: Lechao Xiao, Ben Adlam, Jeffrey Pennington Wei Hu
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Modern neural networks are often regarded as complex black-box functions whose behavior is difficult to understand owing to their nonlinear dependence on the data and the nonconvexity in their loss landscapes. In this work, we show that these common perceptions can be completely false in the early phase of learning. In particular, we formally prove that, for a class of well-behaved input distributions, the early-time learning dynamics of a two-layer fully-connected neural network can be mimicked by training a simple linear model on the inputs. We additionally argue that this surprising simplicity can persist in networks with more layers and with convolutional architecture, which we verify empirically. Key to our analysis is to bound the spectral norm of the difference between the Neural Tangent Kernel (NTK) and an affine transform of the data kernel; however, unlike many previous results utilizing the NTK, we do not require the network to have disproportionately large width, and the network is allowed to escape the kernel regime later in training.
CLEARER: Multi-Scale Neural Architecture Search for Image Restoration
Authors: Boyun Li, Zitao Liu, Songfan Yang, Xi Peng Yuanbiao Gou
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Multi-scale neural networks have shown effectiveness in image restoration tasks, which are usually designed and integrated in a handcrafted manner. Different from the existing labor-intensive handcrafted architecture design paradigms, we present a novel method, termed as multi-sCaLe nEural ARchitecture sEarch for image Restoration (CLEARER), which is a speciﬁcally designed neural architecture search (NAS) for image restoration. Our contributions are twofold. On one hand, we design a multi-scale search space that consists of three task-ﬂexible modules. Namely, 1) Parallel module that connects multi-resolution neural blocks in parallel, while preserving the channels and spatial-resolution in each neural block, 2) Transition module remains the existing multi-resolution features while extending them to a lower resolution, 3) Fusion module integrates multi-resolution features by passing the features of the parallel neural blocks to the current neural blocks. On the other hand, we present novel losses which could 1) balance the tradeoff between the model complexity and performance, which is highly expected to image restoration; and 2) relax the discrete architecture parameters into a continuous distribution which approximates to either 0 or 1. As a result, a differentiable strategy could be employed to search when to fuse or extract multi-resolution features, while the discretization issue faced by the gradient-based NAS could be alleviated. The proposed CLEARER could search a promising architecture in two GPU hours. Extensive experiments show the promising performance of our method comparing with nine image denoising methods and eight image deraining approaches in quantitative and qualitative evaluations. The codes are available at https://github.com/limit-scu.
Hierarchical Gaussian Process Priors for Bayesian Neural Network Weights
Authors: Thang D Bui Theofanis Karaletsos
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Probabilistic neural networks are typically modeled with independent weight priors, which do not capture weight correlations in the prior and do not provide a parsimonious interface to express properties in function space.
A desirable class of priors would represent weights compactly, capture correlations between weights, facilitate calibrated reasoning about uncertainty, and allow inclusion of prior knowledge about the function space such as periodicity or dependence on contexts such as inputs.
To this end, this paper introduces two innovations: (i) a Gaussian process-based hierarchical model for network weights based on unit embeddings that can flexibly encode correlated weight structures, and (ii) input-dependent versions of these weight priors that can provide convenient ways to regularize the function space through the use of kernels defined on contextual inputs.
We show these models provide desirable test-time uncertainty estimates on out-of-distribution data, demonstrate cases of modeling inductive biases for neural networks with kernels which help both interpolation and extrapolation from training data, and demonstrate competitive predictive performance on an active learning benchmark.
Compositional Explanations of Neurons
Authors: Jacob Andreas Jesse Mu
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: We describe a procedure for explaining neurons in deep representations by identifying compositional logical concepts that closely approximate neuron behavior. Compared to prior work that uses atomic labels as explanations, analyzing neurons compositionally allows us to more precisely and expressively characterize their behavior. We use this procedure to answer several questions on interpretability in models for vision and natural language processing. First, we examine the kinds of abstractions learned by neurons. In image classification, we find that many neurons learn highly abstract but semantically coherent visual concepts, while other polysemantic neurons detect multiple unrelated features; in natural language inference (NLI), neurons learn shallow lexical heuristics from dataset biases. Second, we see whether compositional explanations give us insight into model performance: vision neurons that detect human-interpretable concepts are positively correlated with task performance, while NLI neurons that fire for shallow heuristics are negatively correlated with task performance. Finally, we show how compositional explanations provide an accessible way for end users to produce simple "copy-paste" adversarial examples that change model behavior in predictable ways.
Calibrated Reliable Regression using Maximum Mean Discrepancy
Authors: Wenbo Hu, Jun Zhu Peng Cui
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Accurate quantification of uncertainty is crucial for real-world applications of machine learning. However, modern deep neural networks still produce unreliable predictive uncertainty, often yielding over-confident predictions. In this paper, we are concerned with getting well-calibrated predictions in regression tasks. We propose the calibrated regression method using the maximum mean discrepancy by minimizing the kernel embedding measure. Theoretically, the calibration error of our method asymptotically converges to zero when the sample size is large enough. Experiments on non-trivial real datasets show that our method can produce well-calibrated and sharp prediction intervals, which outperforms the related state-of-the-art methods.
Directional convergence and alignment in deep learning
Authors: Matus J. Telgarsky Ziwei Ji
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: In this paper, we show that although the minimizers of cross-entropy and related classification losses are off at infinity, network weights learned by gradient flow converge in direction, with an immediate corollary that network predictions, training errors, and the margin distribution also converge.  This proof holds for deep homogeneous networks — a broad class of networks allowing for ReLU, max-pooling, linear, and convolutional layers — and we additionally provide empirical support not just close to the theory (e.g., the AlexNet), but also on non-homogeneous networks (e.g., the DenseNet).  If the network further has locally Lipschitz gradients, we show that these gradients also converge in direction, and asymptotically align with the gradient flow path, with consequences on margin maximization, convergence of saliency maps, and a few other settings.  Our analysis complements and is distinct from the well-known neural tangent and mean-field theories, and in particular makes no requirements on network width and initialization, instead merely requiring perfect classification accuracy.  The proof proceeds by developing a theory of unbounded nonsmooth Kurdyka-Łojasiewicz inequalities for functions definable in an o-minimal structure, and is also applicable outside deep learning.
Functional Regularization for Representation Learning: A Unified Theoretical Perspective
Authors: Yingyu Liang Siddhant Garg
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Unsupervised and self-supervised learning approaches have become a crucial tool to learn representations for downstream prediction tasks. While these approaches are widely used in practice and achieve impressive empirical gains, their theoretical understanding largely lags behind. Towards bridging this gap, we present a unifying perspective where several such approaches can be viewed as imposing a regularization on the representation via a learnable function using unlabeled data. We propose a discriminative theoretical framework for analyzing the sample complexity of these approaches, which generalizes the framework of (Balcan and Blum, 2010) to allow learnable regularization functions. Our sample complexity bounds show that, with carefully chosen hypothesis classes to exploit the structure in the data, these learnable regularization functions can prune the hypothesis space, and help reduce the amount of labeled data needed. We then provide two concrete examples of functional regularization, one using auto-encoders and the other using masked self-supervision, and apply our framework to quantify the reduction in the sample complexity bound of labeled data. We also provide complementary empirical results to support our analysis.
Provably Efficient Online Hyperparameter Optimization with Population-Based Bandits
Authors: Vu Nguyen, Stephen J. Roberts Jack Parker-Holder
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Many of the recent triumphs in machine learning are dependent on well-tuned hyperparameters. This is particularly prominent in reinforcement learning (RL) where a small change in the configuration can lead to failure. Despite the importance of tuning hyperparameters, it remains expensive and is often done in a naive and laborious way. A recent solution to this problem is Population Based Training (PBT) which  updates both weights and hyperparameters in a \emph{single training run} of a population of agents. PBT has been shown to be particularly effective in RL, leading to widespread use in the field. However, PBT lacks theoretical guarantees since it relies on random heuristics to explore the hyperparameter space. This inefficiency means it typically requires vast computational resources, which is prohibitive for many small and medium sized labs. In this work, we introduce the first provably efficient PBT-style algorithm, Population-Based Bandits (PB2). PB2 uses a probabilistic model to guide the search in an efficient way, making it possible to discover high performing hyperparameter configurations with far fewer agents than typically required by PBT. We show in a series of RL experiments that PB2 is able to achieve high performance with a modest computational budget.
Understanding Global Feature Contributions With Additive Importance Measures
Authors: Scott M Lundberg, Su-In Lee Ian Covert
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Understanding the inner workings of complex machine learning models is a long-standing problem and most recent research has focused on local interpretability. To assess the role of individual input features in a global sense, we explore the perspective of defining feature importance through the predictive power associated with each feature. We introduce two notions of predictive power (model-based and universal) and formalize this approach with a framework of additive importance measures, which unifies numerous methods in the literature. We then propose SAGE, a model-agnostic method that quantifies predictive power while accounting for feature interactions. Our experiments show that SAGE can be calculated efficiently and that it assigns more accurate importance values than other methods.
Online Non-Convex Optimization with Imperfect Feedback
Authors: Matthieu Martin, Panayotis Mertikopoulos, Thibaud Rahier Amélie Héliou
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: We consider the problem of online learning with non-convex losses. In terms of feedback, we assume that the learner observes – or otherwise constructs – an inexact model for the loss function encountered at each stage, and we propose a mixed-strategy learning policy based on dual averaging. In this general context, we derive a series of tight regret minimization guarantees, both for the learner’s static (external) regret, as well as the regret incurred against the best dynamic policy in hindsight. Subsequently, we apply this general template to the case where the learner only has access to the actual loss incurred at each stage of the process. This is achieved by means of a kernel-based estimator which generates an inexact model for each round’s loss function using only the learner’s realized losses as input.
Co-Tuning for Transfer Learning
Authors: Zhi Kou, Mingsheng Long, Jianmin Wang Kaichao You
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Fine-tuning pre-trained deep neural networks (DNNs) to a target dataset, also known as transfer learning, is widely used in computer vision and NLP. Because task-specific layers mainly contain categorical information and categories vary with datasets, practitioners only \textit{partially} transfer pre-trained models by discarding task-specific layers and fine-tuning bottom layers. However, it is a reckless loss to simply discard task-specific parameters who take up as many as $20\%$ of the total parameters in pre-trained models. To \textit{fully} transfer pre-trained models, we propose a two-step framework named \textbf{Co-Tuning}: (i)  learn the relationship between source categories and target categories from the pre-trained model and calibrated predictions; (ii) target labels (one-hot labels), as well as source labels (probabilistic labels) translated by the category relationship, collaboratively supervise the fine-tuning process. A simple instantiation of the framework shows strong empirical results in four visual classification tasks and one NLP classification task, bringing up to $20\%$ relative improvement. While state-of-the-art fine-tuning techniques mainly focus on how to impose regularization when data are not abundant, Co-Tuning works not only in medium-scale datasets (100 samples per class) but also in large-scale datasets (1000 samples per class) where regularization-based methods bring no gains over the vanilla fine-tuning. Co-Tuning relies on a typically valid assumption that the pre-trained dataset is diverse enough, implying its broad application area.
Multifaceted Uncertainty Estimation for Label-Efficient Deep Learning
Authors: Xujiang Zhao, Feng Chen, Qi Yu Weishi Shi
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: We present a novel multi-source uncertainty prediction approach that enables deep learning (DL) models to be actively trained with much less labeled data. By leveraging the second-order uncertainty representation provided by subjective logic (SL), we conduct evidence-based theoretical analysis and formally decompose the predicted entropy over multiple classes into two distinct sources of uncertainty: vacuity and dissonance, caused by lack of evidence and conflict of strong evidence, respectively. The evidence based entropy decomposition provides deeper insights on the nature of uncertainty, which can help effectively explore a large and high-dimensional unlabeled data space. We develop a novel loss function that augments DL based evidence prediction with uncertainty anchor sample identification. The accurately estimated multiple sources of uncertainty are systematically integrated and dynamically balanced using a data sampling function for label-efficient active deep learning (ADL). Experiments conducted over both synthetic and real data and comparison with competitive AL methods demonstrate the effectiveness of the proposed ADL model.
Continuous Surface Embeddings
Authors: David Novotny, Marc Szafraniec, Vasil Khalidov, Patrick Labatut, Andrea Vedaldi Natalia Neverova
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: In this work, we focus on the task of learning and representing dense correspondences in deformable object categories. While this problem has been considered before, solutions so far have been rather ad-hoc for specific object types (i.e., humans), often with significant manual work involved. However, scaling the geometry understanding to all objects in nature requires more automated approaches that can also express correspondences between related, but geometrically different objects. To this end, we propose a new, learnable image-based representation of dense correspondences. Our model predicts, for each pixel in a 2D image, an embedding vector of the corresponding vertex in the object mesh, therefore establishing dense correspondences between image pixels and 3D object geometry. We demonstrate that the proposed approach performs on par or better than the state-of-the-art methods for dense pose estimation for humans, while being conceptually simpler. We also collect a new in-the-wild dataset of dense correspondences for animal classes and demonstrate that our framework scales naturally to the new deformable object categories.
Succinct and Robust Multi-Agent Communication With Temporal Message Control
Authors: Qi Zhang, Jieyu Lin Sai Qian Zhang
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Recent studies have shown that introducing communication between agents can significantly improve overall performance in cooperative Multi-agent reinforcement learning (MARL). However, existing communication schemes often require agents to exchange an excessive number of messages at run-time under a reliable communication channel, which hinders its practicality in many real-world situations. In this paper, we present \textit{Temporal Message Control} (TMC), a simple yet effective approach for achieving succinct and robust communication in MARL. TMC applies a temporal smoothing technique to drastically reduce the amount of information exchanged between agents. Experiments show that TMC can significantly reduce inter-agent communication overhead without impacting accuracy. Furthermore, TMC demonstrates much better robustness against transmission loss than existing approaches in lossy networking environments.
Big Bird: Transformers for Longer Sequences
Authors: Guru Guruganesh, Kumar Avinava Dubey, Joshua Ainslie, Chris Alberti, Santiago Ontanon, Philip Pham, Anirudh Ravula, Qifan Wang, Li Yang, Amr Ahmed Manzil Zaheer
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Transformers-based models, such as BERT, have been one of the most successful deep learning models for NLP. Unfortunately, one of their core limitations is the quadratic dependency (mainly in terms of memory) on the sequence length due to their full attention mechanism.  To remedy this, we propose, BigBird, a sparse attention mechanism that reduces this quadratic dependency to linear.  We show that BigBird is a universal approximator of sequence functions and is Turing complete, thereby preserving these  properties of the quadratic, full attention model. Along the way, our theoretical analysis reveals  some of the benefits of having $O(1)$ global tokens (such as CLS), that attend to the entire sequence  as part of the sparse attention mechanism. The proposed sparse attention can handle sequences of length up to 8x of  what was previously possible using  similar hardware.  As a consequence of the capability to handle longer context, BigBird  drastically improves performance  on various NLP tasks  such as question answering and summarization. We also propose novel applications to genomics data.
Neural Execution Engines: Learning to Execute Subroutines
Authors: Kevin Swersky, Danai Koutra, Parthasarathy Ranganathan, Milad Hashemi Yujun Yan
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: A significant effort has been made to train neural networks that replicate algorithmic reasoning, but they often fail to learn the abstract concepts underlying these algorithms. This is evidenced by their inability to generalize to data distributions that are outside of their restricted training sets, namely larger inputs and unseen data. We study these generalization issues at the level of numerical subroutines that comprise common algorithms like sorting, shortest paths, and minimum spanning trees. First, we observe that transformer-based sequence-to-sequence models can learn subroutines like sorting a list of numbers, but their performance rapidly degrades as the length of lists grows beyond those found in the training set. We demonstrate that this is due to attention weights that lose fidelity with longer sequences, particularly when the input numbers are numerically similar. To address the issue, we propose a learned conditional masking mechanism, which enables the model to strongly generalize far outside of its training range with near-perfect accuracy on a variety of algorithms. Second, to generalize to unseen data, we show that encoding numbers with a binary representation leads to embeddings with rich structure once trained on downstream tasks like addition or multiplication. This allows the embedding to handle missing data by faithfully interpolating numbers not seen during training.
Random Reshuffling: Simple Analysis with Vast Improvements
Authors: Ahmed Khaled, Peter Richtarik Konstantin Mishchenko
Published in: Advances in Neural Information Processing Systems 33  (NeurIPS 2020) (Main Conference Track), 2020

Abstract: Random Reshuffling (RR) is an algorithm for minimizing finite-sum functions that utilizes iterative gradient descent steps in conjunction with data reshuffling. Often contrasted with its sibling Stochastic Gradient Descent (SGD), RR is usually faster in practice and enjoys significant popularity in convex and non-convex optimization. The convergence rate of RR has attracted substantial attention recently and, for strongly convex and smooth functions, it was shown to converge faster than SGD if 1) the stepsize is small, 2) the gradients are bounded, and 3) the number of epochs is large. We remove these 3 assumptions, improve the dependence on the condition number from $\kappa^2$ to $\kappa$ (resp.\ from $\kappa$ to $\sqrt{\kappa}$) and, in addition, show that RR has a different type of variance. We argue through theory and experiments that the new variance type gives an additional justification of the superior performance of RR. To go beyond strong convexity, we present several results for non-strongly convex and non-convex objectives. We show that in all cases, our theory improves upon existing literature. Finally, we prove fast convergence of the Shuffle-Once (SO) algorithm, which shuffles the data only once, at the beginning of the optimization process. Our theory for strongly convex objectives tightly matches the known lower bounds for both RR and SO and substantiates the common practical heuristic of shuffling once or only a few times. As a byproduct of our analysis, we also get new results for the Incremental Gradient algorithm (IG), which does not shuffle the data at all.