NeurIPS 2020 Papers

Linear systems are the bedrock of virtually all numerical computation. Machine learning poses specific challenges for the solution of such systems due to their scale, characteristic structure, stochasticity and the central role of uncertainty in the field. Unifying earlier work we propose a class of probabilistic linear solvers which jointly infer the matrix, its inverse and the solution from matrix-vector product observations. This class emerges from a fundamental set of desiderata which constrains the space of possible algorithms and recovers the method of conjugate gradients under certain conditions. We demonstrate how to incorporate prior spectral information in order to calibrate uncertainty and experimentally showcase the potential of such solvers for machine learning.

Weighted model integration (WMI) is a framework to perform advanced probabilistic inference on hybrid domains, i.e., on distributions over mixed continuous-discrete random variables and in presence of complex logical and arithmetic constraints. In this work, we advance the WMI framework on both the theoretical and algorithmic side. First, we exactly trace the boundaries of tractability for WMI inference by proving that to be amenable to exact and efficient inference a WMI problem has to posses a tree-shaped structure with logarithmic diameter. While this result deepens our theoretical understanding of WMI it hinders the practical applicability of exact WMI solvers to real-world problems. To overcome this, we propose the first approximate WMI solver that does not resort to sampling, but performs exact inference on one approximate models. Our solution performs message passing in a relaxed problem structure iteratively to recover certain lost dependencies and, as our experiments suggest, is competitive with other SOTA WMI solvers.

In clustering problems, a central decision-maker is given a complete metric graph over vertices and must provide a clustering of vertices that minimizes some objective function. In fair clustering problems, vertices are endowed with a color (e.g., membership in a group), and the requirements of a valid clustering might also include the representation of colors in the solution. Prior work in fair clustering assumes complete knowledge of group membership. In this paper, we generalize this by assuming imperfect knowledge of group membership through probabilistic assignments, and present algorithms in this more general setting with approximation ratio guarantees. We also address the problem of "metric membership", where group membership has a notion of order and distance. Experiments are conducted using our proposed algorithms as well as baselines to validate our approach, and also surface nuanced concerns when group membership is not known deterministically.

Inference in discrete graphical models with variational methods is difficult because of the inability to re-parameterize gradients of the Evidence Lower Bound (ELBO). Many sampling-based methods have been proposed for estimating these gradients, but they suffer from high bias or variance. In this paper, we propose a new approach that leverages the tractability of probabilistic circuit models, such as Sum Product Networks (SPN), to compute ELBO gradients exactly (without sampling) for a certain class of densities. In particular, we show that selective-SPNs are suitable as an expressive variational distribution, and prove that when the log-density of the target model is a polynomial the corresponding ELBO can be computed analytically. To scale to graphical models with thousands of variables, we develop an efficient and effective construction of selective-SPNs with size (O(kn)), where (n) is the number of variables and (k) is an adjustable hyperparameter. We demonstrate our approach on three types of graphical models -- Ising models, Latent Dirichlet Allocation, and factor graphs from the UAI Inference Competition. Selective-SPNs give a better lower bound than mean-field and structured mean-field, and is competitive with approximations that do not provide a lower bound, such as Loopy Belief Propagation and Tree-Reweighted Belief Propagation. Our results show that probabilistic circuits are promising tools for variational inference in discrete graphical models as they combine tractability and expressivity.

Data-efficient learning algorithms are essential in many practical applications where data collection is expensive, e.g., in robotics due to the wear and tear. To address this problem, meta-learning algorithms use prior experience about tasks to learn new, related tasks efficiently. Typically, a set of training tasks is assumed given or randomly chosen. However, this setting does not take into account the sequential nature that naturally arises when training a model from scratch in real-life: how do we collect a set of training tasks in a data-efficient manner? In this work, we introduce task selection based on prior experience into a meta-learning algorithm by conceptualizing the learner and the active meta-learning setting using a probabilistic latent variable model. We provide empirical evidence that our approach improves data-efficiency when compared to strong baselines on simulated robotic experiments.

We present a differentially private learner for halfspaces over a finite grid $G$ in $\R^d$ with sample complexity $\approx d^{2.5}\cdot 2^{\log^*|G|}$, which improves the state-of-the-art result of [Beimel et al., COLT 2019] by a $d^2$ factor. The building block for our learner is a new differentially private algorithm for approximately solving the linear feasibility problem: Given a feasible collection of $m$ linear constraints of the form $Ax\geq b$, the task is to {\em privately} identify a solution $x$ that satisfies {\em most} of the constraints. Our algorithm is iterative, where each iteration determines the next coordinate of the constructed solution $x$.

In this work we present novel differentially private identity (goodness-of-fit) testers for natural and widely studied classes of multivariate product distributions: Gaussians in R^d with known covariance and product distributions over {\pm 1}^d. Our testers have improved sample complexity compared to those derived from previous techniques, and are the first testers whose sample complexity matches the order-optimal minimax sample complexity of O(d^1/2/alpha^2) in many parameter regimes. We construct two types of testers, exhibiting tradeoffs between sample complexity and computational complexity. Finally, we provide a two-way reduction between testing a subclass of multivariate product distributions and testing univariate distributions, and thereby obtain upper and lower bounds for testing this subclass of product distributions.

Differentially Private Stochastic Gradient Descent (DP-SGD) forms a fundamental building block in many applications for learning over sensitive data. Two standard approaches, privacy amplification by subsampling, and privacy amplification by shuffling, permit adding lower noise in DP-SGD than via na\"{\i}ve schemes. A key assumption in both these approaches is that the elements in the data set can be uniformly sampled, or be uniformly permuted --- constraints that may become prohibitive when the data is processed in a decentralized or distributed fashion. In this paper, we focus on conducting iterative methods like DP-SGD in the setting of federated learning (FL) wherein the data is distributed among many devices (clients). Our main contribution is the \emph{random check-in} distributed protocol, which crucially relies only on randomized participation decisions made locally and independently by each client. It has privacy/accuracy trade-offs similar to privacy amplification by subsampling/shuffling. However, our method does not require server-initiated communication, or even knowledge of the population size. To our knowledge, this is the first privacy amplification tailored for a distributed learning framework, and it may have broader applicability beyond FL. Along the way, we improve the privacy guarantees of amplification by shuffling and show that, in practical regimes, this improvement allows for similar privacy and utility using data from an order of magnitude fewer users.

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features---which occur regularly in real-world input domains and within the hidden layers of GNNs---and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.

Recent works in geometric deep learning have introduced neural networks that allow performing inference tasks on three-dimensional geometric data by defining convolution --and sometimes pooling-- operations on triangle meshes. These methods, however, either consider the input mesh as a graph, and do not exploit specific geometric properties of meshes for feature aggregation and downsampling, or are specialized for meshes, but rely on a rigid definition of convolution that does not properly capture the local topology of the mesh. We propose a method that combines the advantages of both types of approaches, while addressing their limitations: we extend a primal-dual framework drawn from the graph-neural-network literature to triangle meshes, and define convolutions on two types of graphs constructed from an input mesh. Our method takes features for both edges and faces of a 3D mesh as input, and dynamically aggregates them using an attention mechanism. At the same time, we introduce a pooling operation with a precise geometric interpretation, that allows handling variations in the mesh connectivity by clustering mesh faces in a task-driven fashion. We provide theoretical insights of our approach using tools from the mesh-simplification literature. In addition, we validate experimentally our method in the tasks of shape classification and shape segmentation, where we obtain comparable or superior performance to the state of the art.

We consider the task of sampling with respect to a log concave probability distribution. The potential of the target distribution is assumed to be composite, i.e., written as the sum of a smooth convex term, and a nonsmooth convex term possibly taking infinite values. The target distribution can be seen as a minimizer of the Kullback-Leibler divergence defined on the Wasserstein space (i.e., the space of probability measures). In the first part of this paper, we establish a strong duality result for this minimization problem. In the second part of this paper, we use the duality gap arising from the first part to study the complexity of the Proximal Stochastic Gradient Langevin Algorithm (PSGLA), which can be seen as a generalization of the Projected Langevin Algorithm. Our approach relies on viewing PSGLA as a primal dual algorithm and covers many cases where the target distribution is not fully supported. In particular, we show that if the potential is strongly convex, the complexity of PSGLA is $\cO(1/\varepsilon^2)$ in terms of the 2-Wasserstein distance. In contrast, the complexity of the Projected Langevin Algorithm is $\cO(1/\varepsilon^{12})$ in terms of total variation when the potential is convex.

Preference-based Reinforcement Learning (PbRL) replaces reward values in traditional reinforcement learning by preferences to better elicit human opinion on the target objective, especially when numerical reward values are hard to design or interpret. Despite promising results in applications, the theoretical understanding of PbRL is still in its infancy. In this paper, we present the first finite-time analysis for general PbRL problems. We first show that a unique optimal policy may not exist if preferences over trajectories are deterministic for PbRL. If preferences are stochastic, and the preference probability relates to the hidden reward values, we present algorithms for PbRL, both with and without a simulator, that are able to identify the best policy up to accuracy $\varepsilon$ with high probability. Our method explores the state space by navigating to under-explored states, and solves PbRL using a combination of dueling bandits and policy search. Experiments show the efficacy of our method when it is applied to real-world problems.

The literature on ranking from ordinal data is vast, and there are several ways to aggregate overall preferences from pairwise comparisons between objects. In particular, it is well-known that any Nash equilibrium of the zero-sum game induced by the preference matrix defines a natural solution concept (winning distribution over objects) known as a von Neumann winner. Many real-world problems, however, are inevitably multi-criteria, with different pairwise preferences governing the different criteria. In this work, we generalize the notion of a von Neumann winner to the multi-criteria setting by taking inspiration from Blackwell’s approachability. Our framework allows for non-linear aggregation of preferences across criteria, and generalizes the linearization-based approach from multi-objective optimization.

Ensemble learning is widely used in applications to make predictions in complex decision problems---for example, averaging models fitted to a sequence of samples bootstrapped from the available training data. While such methods offer more accurate, stable, and robust predictions and model estimates, much less is known about how to perform valid, assumption-lean inference on the output of these types of procedures. In this paper, we propose the jackknife+-after-bootstrap (J+aB), a procedure for constructing a predictive interval, which uses only the available bootstrapped samples and their corresponding fitted models, and is therefore "free" in terms of the cost of model fitting. The J+aB offers a predictive coverage guarantee that holds with no assumptions on the distribution of the data, the nature of the fitted model, or the way in which the ensemble of models are aggregated---at worst, the failure rate of the predictive interval is inflated by a factor of 2. Our numerical experiments verify the coverage and accuracy of the resulting predictive intervals on real data.

Biological neural networks face a formidable task: performing reliable computations in the face of intrinsic stochasticity in individual neurons, imprecisely specified synaptic connectivity, and nonnegligible delays in synaptic transmission. A common approach to combatting such biological heterogeneity involves averaging over large redundant networks of N neurons resulting in coding errors that decrease classically as the square root of N. Recent work demonstrated a novel mechanism whereby recurrent spiking networks could efficiently encode dynamic stimuli achieving a superclassical scaling in which coding errors decrease as 1/N. This specific mechanism involved two key ideas: predictive coding, and a tight balance, or cancellation between strong feedforward inputs and strong recurrent feedback. However, the theoretical principles governing the efficacy of balanced predictive coding and its robustness to noise, synaptic weight heterogeneity and communication delays remain poorly understood. To discover such principles, we introduce an analytically tractable model of balanced predictive coding, in which the degree of balance and the degree of weight disorder can be dissociated unlike in previous balanced network models, and we develop a mean-field theory of coding accuracy. Overall, our work provides and solves a general theoretical framework for dissecting the differential contributions neural noise, synaptic disorder, chaos, synaptic delays, and balance to the fidelity of predictive neural codes, reveals the fundamental role that balance plays in achieving superclassical scaling, and unifies previously disparate models in theoretical neuroscience.

The Predictive Information is the mutual information between the past and the future, I(X

We revisit the fundamental problem of prediction with expert advice, in a setting where the environment is benign and generates losses stochastically, but the feedback observed by the learner is subject to a moderate adversarial corruption. We prove that a variant of the classical Multiplicative Weights algorithm with decreasing step sizes achieves constant regret in this setting and performs optimally in a wide range of environments, regardless of the magnitude of the injected corruption. Our results reveal a surprising disparity between the often comparable Follow the Regularized Leader (FTRL) and Online Mirror Descent (OMD) frameworks: we show that for experts in the corrupted stochastic regime, the regret performance of OMD is in fact strictly inferior to that of FTRL.

We tackle the problem of predicting the number of optimization steps that a pre-trained deep network needs to converge to a given value of the loss function. To do so, we leverage the fact that the training dynamics of a deep network during fine-tuning are well approximated by those of a linearized model. This allows us to approximate the training loss and accuracy at any point during training by solving a low-dimensional Stochastic Differential Equation (SDE) in function space. Using this result, we are able to predict the time it takes for Stochastic Gradient Descent (SGD) to fine-tune a model to a given loss without having to perform any training.

It is often desirable to reduce the dimensionality of a large dataset by projecting it onto a low-dimensional subspace. Matrix sketching has emerged as a powerful technique for performing such dimensionality reduction very efficiently. Even though there is an extensive literature on the worst-case performance of sketching, existing guarantees are typically very different from what is observed in practice. We exploit recent developments in the spectral analysis of random matrices to develop novel techniques that provide provably accurate expressions for the expected value of random projection matrices obtained via sketching. These expressions can be used to characterize the performance of dimensionality reduction in a variety of common machine learning tasks, ranging from low-rank approximation to iterative stochastic optimization. Our results apply to several popular sketching methods, including Gaussian and Rademacher sketches, and they enable precise analysis of these methods in terms of spectral properties of the data. Empirical results show that the expressions we derive reflect the practical performance of these sketching methods, down to lower-order effects and even constant factors.