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While improving prediction accuracy has been the focus of machine learning in recent years, this alone does not suffice for reliable decision-making. Deploying learning systems in consequential settings also requires calibrating and communicating the uncertainty of predictions. To convey instance-wise uncertainty for prediction tasks, we show how to generate set-valued predictions from a black-box predictor that control the expected loss on future test points at a user-specified level. Our approach provides explicit finite-sample guarantees for any dataset by using a holdout set to calibrate the size of the prediction sets. This framework enables simple, distribution-free, rigorous error control for many tasks, and we demonstrate it in five large-scale machine learning problems: (1) classification problems where some mistakes are more costly than others; (2) multi-label classification, where each observation has multiple associated labels; (3) classification problems where the labels have a hierarchical structure; (4) image segmentation, where we wish to predict a set of pixels containing an object of interest; and (5) protein structure prediction. Lastly, we discuss extensions to uncertainty quantification for ranking, metric learning and distributionally robust learning., Comment: Project website available at http://www.angelopoulos.ai/blog/posts/rcps/ and codebase available at https://github.com/aangelopoulos/rcps

Independent component analysis (ICA) has been a popular dimension reduction tool in statistical machine learning and signal processing. In this paper, we present a convergence analysis for an online tensorial ICA algorithm, by viewing the problem as a nonconvex stochastic approximation problem. For estimating one component, we provide a dynamics-based analysis to prove that our online tensorial ICA algorithm with a specific choice of stepsize achieves a sharp finite-sample error bound. In particular, under a mild assumption on the data-generating distribution and a scaling condition such that $d^4/T$ is sufficiently small up to a polylogarithmic factor of data dimension $d$ and sample size $T$, a sharp finite-sample error bound of $\tilde{O}(\sqrt{d/T})$ can be obtained., Comment: To appear in Conference on Learning Theory (COLT), 2021

We describe mechanisms for the allocation of a scarce resource among multiple users in a way that is efficient, fair, and strategy-proof, but when users do not know their resource requirements. The mechanism is repeated for multiple rounds and a user's requirements can change on each round. At the end of each round, users provide feedback about the allocation they received, enabling the mechanism to learn user preferences over time. Such situations are common in the shared usage of a compute cluster among many users in an organisation, where all teams may not precisely know the amount of resources needed to execute their jobs. By understating their requirements, users will receive less than they need and consequently not achieve their goals. By overstating them, they may siphon away precious resources that could be useful to others in the organisation. We formalise this task of online learning in fair division via notions of efficiency, fairness, and strategy-proofness applicable to this setting, and study this problem under three types of feedback: when the users' observations are deterministic, when they are stochastic and follow a parametric model, and when they are stochastic and nonparametric. We derive mechanisms inspired by the classical max-min fairness procedure that achieve these requisites, and quantify the extent to which they are achieved via asymptotic rates. We corroborate these insights with an experimental evaluation on synthetic problems and a web-serving task.

We study two-sided matching markets in which one side of the market (the players) does not have a priori knowledge about its preferences for the other side (the arms) and is required to learn its preferences from experience. Also, we assume the players have no direct means of communication. This model extends the standard stochastic multi-armed bandit framework to a decentralized multiple player setting with competition. We introduce a new algorithm for this setting that, over a time horizon $T$, attains $\mathcal{O}(\log(T))$ stable regret when preferences of the arms over players are shared, and $\mathcal{O}(\log(T)^2)$ regret when there are no assumptions on the preferences on either side. Moreover, in the setting where a single player may deviate, we show that the algorithm is incentive compatible whenever the arms' preferences are shared, but not necessarily so when preferences are fully general., Comment: 34 pages

We study the problem of heavy-tailed mean estimation in settings where the variance of the data-generating distribution does not exist. Concretely, given a sample $\mathbf{X} = \{X_i\}_{i = 1}^n$ from a distribution $\mathcal{D}$ over $\mathbb{R}^d$ with mean $\mu$ which satisfies the following \emph{weak-moment} assumption for some ${\alpha \in [0, 1]}$: \begin{equation*} \forall \|v\| = 1: \mathbb{E}_{X \thicksim \mathcal{D}}[\lvert \langle X - \mu, v\rangle \rvert^{1 + \alpha}] \leq 1, \end{equation*} and given a target failure probability, $\delta$, our goal is to design an estimator which attains the smallest possible confidence interval as a function of $n,d,\delta$. For the specific case of $\alpha = 1$, foundational work of Lugosi and Mendelson exhibits an estimator achieving subgaussian confidence intervals, and subsequent work has led to computationally efficient versions of this estimator. Here, we study the case of general $\alpha$, and establish the following information-theoretic lower bound on the optimal attainable confidence interval: \begin{equation*} \Omega \left(\sqrt{\frac{d}{n}} + \left(\frac{d}{n}\right)^{\frac{\alpha}{(1 + \alpha)}} + \left(\frac{\log 1 / \delta}{n}\right)^{\frac{\alpha}{(1 + \alpha)}}\right). \end{equation*} Moreover, we devise a computationally-efficient estimator which achieves this lower bound., Comment: Fixed typographical errors in Theorem 1.2, Lemmas 4.3 and C.8

When the target of statistical inference is chosen in a data-driven manner, the guarantees provided by classical theories vanish. We propose a solution to the problem of inference after selection by building on the framework of algorithmic stability, in particular its branch with origins in the field of differential privacy. Stability is achieved via randomization of selection and it serves as a quantitative measure that is sufficient to obtain non-trivial post-selection corrections for classical confidence intervals. Importantly, the underpinnings of algorithmic stability translate directly into computational efficiency -- our method computes simple corrections for selective inference without recourse to Markov chain Monte Carlo sampling.

The classical theory of reinforcement learning (RL) has focused on tabular and linear representations of value functions. Further progress hinges on combining RL with modern function approximators such as kernel functions and deep neural networks, and indeed there have been many empirical successes that have exploited such combinations in large-scale applications. There are profound challenges, however, in developing a theory to support this enterprise, most notably the need to take into consideration the exploration-exploitation tradeoff at the core of RL in conjunction with the computational and statistical tradeoffs that arise in modern function-approximation-based learning systems. We approach these challenges by studying an optimistic modification of the least-squares value iteration algorithm, in the context of the action-value function represented by a kernel function or an overparameterized neural network. We establish both polynomial runtime complexity and polynomial sample complexity for this algorithm, without additional assumptions on the data-generating model. In particular, we prove that the algorithm incurs an $\tilde{\mathcal{O}}(\delta_{\mathcal{F}} H^2 \sqrt{T})$ regret, where $\delta_{\mathcal{F}}$ characterizes the intrinsic complexity of the function class $\mathcal{F}$, $H$ is the length of each episode, and $T$ is the total number of episodes. Our regret bounds are independent of the number of states, a result which exhibits clearly the benefit of function approximation in RL., Comment: 76 pages. The short version of this work appears in NeurIPS 2020

Recommender systems operate in an inherently dynamical setting. Past recommendations influence future behavior, including which data points are observed and how user preferences change. However, experimenting in production systems with real user dynamics is often infeasible, and existing simulation-based approaches have limited scale. As a result, many state-of-the-art algorithms are designed to solve supervised learning problems, and progress is judged only by offline metrics. In this work we investigate the extent to which offline metrics predict online performance by evaluating eleven recommenders across six controlled simulated environments. We observe that offline metrics are correlated with online performance over a range of environments. However, improvements in offline metrics lead to diminishing returns in online performance. Furthermore, we observe that the ranking of recommenders varies depending on the amount of initial offline data available. We study the impact of adding exploration strategies, and observe that their effectiveness, when compared to greedy recommendation, is highly dependent on the recommendation algorithm. We provide the environments and recommenders described in this paper as Reclab: an extensible ready-to-use simulation framework at https://github.com/berkeley-reclab/RecLab.

The use of min-max optimization in adversarial training of deep neural network classifiers and training of generative adversarial networks has motivated the study of nonconvex-nonconcave optimization objectives, which frequently arise in these applications. Unfortunately, recent results have established that even approximate first-order stationary points of such objectives are intractable, even under smoothness conditions, motivating the study of min-max objectives with additional structure. We introduce a new class of structured nonconvex-nonconcave min-max optimization problems, proposing a generalization of the extragradient algorithm which provably converges to a stationary point. The algorithm applies not only to Euclidean spaces, but also to general $\ell_p$-normed finite-dimensional real vector spaces. We also discuss its stability under stochastic oracles and provide bounds on its sample complexity. Our iteration complexity and sample complexity bounds either match or improve the best known bounds for the same or less general nonconvex-nonconcave settings, such as those that satisfy variational coherence or in which a weak solution to the associated variational inequality problem is assumed to exist., Comment: in Proc. AISTATS'21

We study exploration in stochastic multi-armed bandits when we have access to a divisible resource that can be allocated in varying amounts to arm pulls. We focus in particular on the allocation of distributed computing resources, where we may obtain results faster by allocating more resources per pull, but might have reduced throughput due to nonlinear scaling. For example, in simulation-based scientific studies, an expensive simulation can be sped up by running it on multiple cores. This speed-up however, is partly offset by the communication among cores, which results in lower throughput than if fewer cores were allocated per trial to run more trials in parallel. In this paper, we explore these trade-offs in two settings. First, in a fixed confidence setting, we need to find the best arm with a given target success probability as quickly as possible. We propose an algorithm which trades off between information accumulation and throughput and show that the time taken can be upper bounded by the solution of a dynamic program whose inputs are the gaps between the sub-optimal and optimal arms. We also prove a matching hardness result. Second, we present an algorithm for a fixed deadline setting, where we are given a time deadline and need to maximize the probability of finding the best arm. We corroborate our theoretical insights with simulation experiments that show that the algorithms consistently match or outperform baseline algorithms on a variety of problem instances., Comment: Accepted to ICML 2021

We study the problem of decision-making in the setting of a scarcity of shared resources when the preferences of agents are unknown a priori and must be learned from data. Taking the two-sided matching market as a running example, we focus on the decentralized setting, where agents do not share their learned preferences with a central authority. Our approach is based on the representation of preferences in a reproducing kernel Hilbert space, and a learning algorithm for preferences that accounts for uncertainty due to the competition among the agents in the market. Under regularity conditions, we show that our estimator of preferences converges at a minimax optimal rate. Given this result, we derive optimal strategies that maximize agents' expected payoffs and we calibrate the uncertain state by taking opportunity costs into account. We also derive an incentive-compatibility property and show that the outcome from the learned strategies has a stability property. Finally, we prove a fairness property that asserts that there exists no justified envy according to the learned strategies.

Convolutional image classifiers can achieve high predictive accuracy, but quantifying their uncertainty remains an unresolved challenge, hindering their deployment in consequential settings. Existing uncertainty quantification techniques, such as Platt scaling, attempt to calibrate the network's probability estimates, but they do not have formal guarantees. We present an algorithm that modifies any classifier to output a predictive set containing the true label with a user-specified probability, such as 90%. The algorithm is simple and fast like Platt scaling, but provides a formal finite-sample coverage guarantee for every model and dataset. Our method modifies an existing conformal prediction algorithm to give more stable predictive sets by regularizing the small scores of unlikely classes after Platt scaling. In experiments on both Imagenet and Imagenet-V2 with ResNet-152 and other classifiers, our scheme outperforms existing approaches, achieving coverage with sets that are often factors of 5 to 10 smaller than a stand-alone Platt scaling baseline., Comment: ICLR 2021 Spotlight, https://openreview.net/forum?id=eNdiU_DbM9 . Project website at https://people.eecs.berkeley.edu/~angelopoulos/blog/posts/conformal-classification/ . Codebase at https://github.com/aangelopoulos/conformal_classification

We study the problem of batch learning from bandit feedback in the setting of extremely large action spaces. Learning from extreme bandit feedback is ubiquitous in recommendation systems, in which billions of decisions are made over sets consisting of millions of choices in a single day, yielding massive observational data. In these large-scale real-world applications, supervised learning frameworks such as eXtreme Multi-label Classification (XMC) are widely used despite the fact that they incur significant biases due to the mismatch between bandit feedback and supervised labels. Such biases can be mitigated by importance sampling techniques, but these techniques suffer from impractical variance when dealing with a large number of actions. In this paper, we introduce a selective importance sampling estimator (sIS) that operates in a significantly more favorable bias-variance regime. The sIS estimator is obtained by performing importance sampling on the conditional expectation of the reward with respect to a small subset of actions for each instance (a form of Rao-Blackwellization). We employ this estimator in a novel algorithmic procedure -- named Policy Optimization for eXtreme Models (POXM) -- for learning from bandit feedback on XMC tasks. In POXM, the selected actions for the sIS estimator are the top-p actions of the logging policy, where p is adjusted from the data and is significantly smaller than the size of the action space. We use a supervised-to-bandit conversion on three XMC datasets to benchmark our POXM method against three competing methods: BanditNet, a previously applied partial matching pruning strategy, and a supervised learning baseline. Whereas BanditNet sometimes improves marginally over the logging policy, our experiments show that POXM systematically and significantly improves over all baselines.

Two-stage recommender systems are widely adopted in industry due to their scalability and maintainability. These systems produce recommendations in two steps: (i) multiple nominators preselect a small number of items from a large pool using cheap-to-compute item embeddings; (ii) with a richer set of features, a ranker rearranges the nominated items and serves them to the user. A key challenge of this setup is that optimal performance of each stage in isolation does not imply optimal global performance. In response to this issue, Ma et al. (2020) proposed a nominator training objective importance weighted by the ranker's probability of recommending each item. In this work, we focus on the complementary issue of exploration. Modeled as a contextual bandit problem, we find LinUCB (a near optimal exploration strategy for single-stage systems) may lead to linear regret when deployed in two-stage recommenders. We therefore propose a method of synchronising the exploration strategies between the ranker and the nominators. Our algorithm only relies on quantities already computed by standard LinUCB at each stage and can be implemented in three lines of additional code. We end by demonstrating the effectiveness of our algorithm experimentally., Comment: Published at the REVEAL 2020 workshop (RecSys 2020)

We study the problem of solving strongly convex and smooth unconstrained optimization problems using stochastic first-order algorithms. We devise a novel algorithm, referred to as Recursive One-Over-T SGD (ROOT-SGD), based on an easily implementable, recursive averaging of past stochastic gradients. We prove that it simultaneously achieves state-of-the-art performance in both a finite-sample, nonasymptotic sense and an asymptotic sense. On the non-asymptotic side, we prove risk bounds on the last iterate of ROOT-SGD with leading-order terms that match the optimal statistical risk with a unity pre-factor, along with a higher-order term that scales at the sharp rate of $O(n^{-3/2})$ under the Lipschitz condition on the Hessian matrix. On the asymptotic side, we show that when a mild, one-point Hessian continuity condition is imposed, the rescaled last iterate of (multi-epoch) ROOT-SGD converges asymptotically to a Gaussian limit with the Cram\'er-Rao optimal asymptotic covariance, for a broad range of step-size choices., Comment: some corrections

We propose the discrepancy-based generalization theories for unsupervised domain adaptation. Previous theories introduced distribution discrepancies defined as the supremum over complete hypothesis space. The hypothesis space may contain hypotheses that lead to unnecessary overestimation of the risk bound. This paper studies the localized discrepancies defined on the hypothesis space after localization. First, we show that these discrepancies have desirable properties. They could be significantly smaller than the pervious discrepancies. Their values will be different if we exchange the two domains, thus can reveal asymmetric transfer difficulties. Next, we derive improved generalization bounds with these discrepancies. We show that the discrepancies could influence the rate of the sample complexity. Finally, we further extend the localized discrepancies for achieving super transfer and derive generalization bounds that could be even more sample-efficient on source domain.

We study the problem of high-dimensional covariance estimation under the constraint that the partial correlations are nonnegative. The sign constraints dramatically simplify estimation: the Gaussian maximum likelihood estimator is well defined with only two observations regardless of the number of variables. We analyze its performance in the setting where the dimension may be much larger than the sample size. We establish that the estimator is both high-dimensionally consistent and minimax optimal in the symmetrized Stein loss. We also prove a negative result which shows that the sign-constraints can introduce substantial bias for estimating the top eigenvalue of the covariance matrix.

We study the problem of high-dimensional robust linear regression where a learner is given access to $n$ samples from the generative model $Y = \langle X,w^* \rangle + \epsilon$ (with $X \in \mathbb{R}^d$ and $\epsilon$ independent), in which an $\eta$ fraction of the samples have been adversarially corrupted. We propose estimators for this problem under two settings: (i) $X$ is L4-L2 hypercontractive, $\mathbb{E} [XX^\top]$ has bounded condition number and $\epsilon$ has bounded variance and (ii) $X$ is sub-Gaussian with identity second moment and $\epsilon$ is sub-Gaussian. In both settings, our estimators: (a) Achieve optimal sample complexities and recovery guarantees up to log factors and (b) Run in near linear time ($\tilde{O}(nd / \eta^6)$). Prior to our work, polynomial time algorithms achieving near optimal sample complexities were only known in the setting where $X$ is Gaussian with identity covariance and $\epsilon$ is Gaussian, and no linear time estimators were known for robust linear regression in any setting. Our estimators and their analysis leverage recent developments in the construction of faster algorithms for robust mean estimation to improve runtimes, and refined concentration of measure arguments alongside Gaussian rounding techniques to improve statistical sample complexities.

Domain Adaptation (DA) enables transferring a learning machine from a labeled source domain to an unlabeled target one. While remarkable advances have been made, most of the existing DA methods focus on improving the target accuracy at inference. How to estimate the predictive uncertainty of DA models is vital for decision-making in safety-critical scenarios but remains the boundary to explore. In this paper, we delve into the open problem of Calibration in DA, which is extremely challenging due to the coexistence of domain shift and the lack of target labels. We first reveal the dilemma that DA models learn higher accuracy at the expense of well-calibrated probabilities. Driven by this finding, we propose Transferable Calibration (TransCal) to achieve more accurate calibration with lower bias and variance in a unified hyperparameter-free optimization framework. As a general post-hoc calibration method, TransCal can be easily applied to recalibrate existing DA methods. Its efficacy has been justified both theoretically and empirically.

We study the problem of finding equilibrium strategies in multi-agent games with incomplete payoff information, where the payoff matrices are only known to the players up to some bounded uncertainty sets. In such games, an ex-post equilibrium characterizes equilibrium strategies that are robust to the payoff uncertainty. When the game is one-shot, we show that in zero-sum polymatrix games, an ex-post equilibrium can be computed efficiently using linear programming. We further extend the notion of ex-post equilibrium to stochastic games, where the game is played repeatedly in a sequence of stages and the transition dynamics are governed by an Markov decision process (MDP). We provide sufficient condition for the existence of an ex-post Markov perfect equilibrium (MPE). We show that under bounded payoff uncertainty, the value of any two-player zero-sum stochastic game can be computed up to a tight value interval using dynamic programming.

Nonlinear dimensionality reduction methods provide a valuable means to visualize and interpret high-dimensional data. However, many popular methods can fail dramatically, even on simple two-dimensional manifolds, due to problems such as vulnerability to noise, repeated eigendirections, holes in convex bodies, and boundary bias. We derive an embedding method for Riemannian manifolds that iteratively uses single-coordinate estimates to eliminate dimensions from an underlying differential operator, thus "deflating" it. These differential operators have been shown to characterize any local, spectral dimensionality reduction method. The key to our method is a novel, incremental tangent space estimator that incorporates global structure as coordinates are added. We prove its consistency when the coordinates converge to true coordinates. Empirically, we show our algorithm recovers novel and interesting embeddings on real-world and synthetic datasets.

Maximum a posteriori (MAP) inference in discrete-valued Markov random fields is a fundamental problem in machine learning that involves identifying the most likely configuration of random variables given a distribution. Due to the difficulty of this combinatorial problem, linear programming (LP) relaxations are commonly used to derive specialized message passing algorithms that are often interpreted as coordinate descent on the dual LP. To achieve more desirable computational properties, a number of methods regularize the LP with an entropy term, leading to a class of smooth message passing algorithms with convergence guarantees. In this paper, we present randomized methods for accelerating these algorithms by leveraging techniques that underlie classical accelerated gradient methods. The proposed algorithms incorporate the familiar steps of standard smooth message passing algorithms, which can be viewed as coordinate minimization steps. We show that these accelerated variants achieve faster rates for finding $\epsilon$-optimal points of the unregularized problem, and, when the LP is tight, we prove that the proposed algorithms recover the true MAP solution in fewer iterations than standard message passing algorithms.

Optimal transport (OT) distances are increasingly used as loss functions for statistical inference, notably in the learning of generative models or supervised learning. Yet, the behavior of minimum Wasserstein estimators is poorly understood, notably in high-dimensional regimes or under model misspecification. In this work we adopt the viewpoint of projection robust (PR) OT, which seeks to maximize the OT cost between two measures by choosing a $k$-dimensional subspace onto which they can be projected. Our first contribution is to establish several fundamental statistical properties of PR Wasserstein distances, complementing and improving previous literature that has been restricted to one-dimensional and well-specified cases. Next, we propose the integral PR Wasserstein (IPRW) distance as an alternative to the PRW distance, by averaging rather than optimizing on subspaces. Our complexity bounds can help explain why both PRW and IPRW distances outperform Wasserstein distances empirically in high-dimensional inference tasks. Finally, we consider parametric inference using the PRW distance. We provide an asymptotic guarantee of two types of minimum PRW estimators and formulate a central limit theorem for max-sliced Wasserstein estimator under model misspecification. To enable our analysis on PRW with projection dimension larger than one, we devise a novel combination of variational analysis and statistical theory., Comment: Accepted by AISTATS 2021; Fix some inaccuracy in the definition and proof; 49 Pages, 41 figures

We provide new statistical guarantees for transfer learning via representation learning--when transfer is achieved by learning a feature representation shared across different tasks. This enables learning on new tasks using far less data than is required to learn them in isolation. Formally, we consider $t+1$ tasks parameterized by functions of the form $f_j \circ h$ in a general function class $\mathcal{F} \circ \mathcal{H}$, where each $f_j$ is a task-specific function in $\mathcal{F}$ and $h$ is the shared representation in $\mathcal{H}$. Letting $C(\cdot)$ denote the complexity measure of the function class, we show that for diverse training tasks (1) the sample complexity needed to learn the shared representation across the first $t$ training tasks scales as $C(\mathcal{H}) + t C(\mathcal{F})$, despite no explicit access to a signal from the feature representation and (2) with an accurate estimate of the representation, the sample complexity needed to learn a new task scales only with $C(\mathcal{F})$. Our results depend upon a new general notion of task diversity--applicable to models with general tasks, features, and losses--as well as a novel chain rule for Gaussian complexities. Finally, we exhibit the utility of our general framework in several models of importance in the literature., Comment: NeurIPS 2020

While the identification of nonlinear dynamical systems is a fundamental building block of model-based reinforcement learning and feedback control, its sample complexity is only understood for systems that either have discrete states and actions or for systems that can be identified from data generated by i.i.d. random inputs. Nonetheless, many interesting dynamical systems have continuous states and actions and can only be identified through a judicious choice of inputs. Motivated by practical settings, we study a class of nonlinear dynamical systems whose state transitions depend linearly on a known feature embedding of state-action pairs. To estimate such systems in finite time identification methods must explore all directions in feature space. We propose an active learning approach that achieves this by repeating three steps: trajectory planning, trajectory tracking, and re-estimation of the system from all available data. We show that our method estimates nonlinear dynamical systems at a parametric rate, similar to the statistical rate of standard linear regression., Comment: 29 pages

Projection robust Wasserstein (PRW) distance, or Wasserstein projection pursuit (WPP), is a robust variant of the Wasserstein distance. Recent work suggests that this quantity is more robust than the standard Wasserstein distance, in particular when comparing probability measures in high-dimensions. However, it is ruled out for practical application because the optimization model is essentially non-convex and non-smooth which makes the computation intractable. Our contribution in this paper is to revisit the original motivation behind WPP/PRW, but take the hard route of showing that, despite its non-convexity and lack of nonsmoothness, and even despite some hardness results proved by~\citet{Niles-2019-Estimation} in a minimax sense, the original formulation for PRW/WPP \textit{can} be efficiently computed in practice using Riemannian optimization, yielding in relevant cases better behavior than its convex relaxation. More specifically, we provide three simple algorithms with solid theoretical guarantee on their complexity bound (one in the appendix), and demonstrate their effectiveness and efficiency by conducing extensive experiments on synthetic and real data. This paper provides a first step into a computational theory of the PRW distance and provides the links between optimal transport and Riemannian optimization., Comment: Accepted by NeurIPS 2020; The first two authors contributed equally; fix the confusing parts in the proof and refine the algorithms and complexity bounds

Many statistical estimators are defined as the fixed point of a data-dependent operator, with estimators based on minimizing a cost function being an important special case. The limiting performance of such estimators depends on the properties of the population-level operator in the idealized limit of infinitely many samples. We develop a general framework that yields bounds on statistical accuracy based on the interplay between the deterministic convergence rate of the algorithm at the population level, and its degree of (in)stability when applied to an empirical object based on $n$ samples. Using this framework, we analyze both stable forms of gradient descent and some higher-order and unstable algorithms, including Newton's method and its cubic-regularized variant, as well as the EM algorithm. We provide applications of our general results to several concrete classes of models, including Gaussian mixture estimation, non-linear regression models, and informative non-response models. We exhibit cases in which an unstable algorithm can achieve the same statistical accuracy as a stable algorithm in exponentially fewer steps -- namely, with the number of iterations being reduced from polynomial to logarithmic in sample size $n$., Comment: 68 pages, 6 Figures, 2 Tables. First three authors contributed equally

The large bulk of work in multiple testing has focused on specifying procedures that control the false discovery rate (FDR), with relatively less attention being paid to the corresponding Type II error known as the false non-discovery rate (FNR). A line of more recent work in multiple testing has begun to investigate the tradeoffs between the FDR and FNR and to provide lower bounds on the performance of procedures that depend on the model structure. Lacking thus far, however, has been a general approach to obtaining lower bounds for a broad class of models. This paper introduces an analysis strategy based on derandomization, illustrated by applications to various concrete models. Our main result is meta-theorem that gives a general recipe for obtaining lower bounds on the combination of FDR and FNR. We illustrate this meta-theorem by deriving explicit bounds for several models, including instances with dependence, scale-transformed alternatives, and non-Gaussian-like distributions. We provide numerical simulations of some of these lower bounds, and show a close relation to the actual performance of the Benjamini-Hochberg (BH) algorithm.

We study a multi-round welfare-maximising mechanism design problem in instances where agents do not know their values. On each round, a mechanism first assigns an allocation each to a set of agents and charges them a price; at the end of the round, the agents provide (stochastic) feedback to the mechanism for the allocation they received. This setting is motivated by applications in cloud markets and online advertising where an agent may know her value for an allocation only after experiencing it. Therefore, the mechanism needs to explore different allocations for each agent so that it can learn their values, while simultaneously attempting to find the socially optimal set of allocations. Our focus is on truthful and individually rational mechanisms which imitate the classical VCG mechanism in the long run. To that end, we first define three notions of regret for the welfare, the individual utilities of each agent and that of the mechanism. We show that these three terms are interdependent via an $\Omega(T^{\frac{2}{3}})$ lower bound for the maximum of these three terms after $T$ rounds of allocations, and describe an algorithm which essentially achieves this rate. Our framework also provides flexibility to control the pricing scheme so as to trade-off between the agent and seller regrets. Next, we define asymptotic variants for the truthfulness and individual rationality requirements and provide asymptotic rates to quantify the degree to which both properties are satisfied by the proposed algorithm.

The learning rate is perhaps the single most important parameter in the training of neural networks and, more broadly, in stochastic (nonconvex) optimization. Accordingly, there are numerous effective, but poorly understood, techniques for tuning the learning rate, including learning rate decay, which starts with a large initial learning rate that is gradually decreased. In this paper, we present a general theoretical analysis of the effect of the learning rate in stochastic gradient descent (SGD). Our analysis is based on the use of a learning-rate-dependent stochastic differential equation (lr-dependent SDE) that serves as a surrogate for SGD. For a broad class of objective functions, we establish a linear rate of convergence for this continuous-time formulation of SGD, highlighting the fundamental importance of the learning rate in SGD, and contrasting to gradient descent and stochastic gradient Langevin dynamics. Moreover, we obtain an explicit expression for the optimal linear rate by analyzing the spectrum of the Witten-Laplacian, a special case of the Schr\"odinger operator associated with the lr-dependent SDE. Strikingly, this expression clearly reveals the dependence of the linear convergence rate on the learning rate -- the linear rate decreases rapidly to zero as the learning rate tends to zero for a broad class of nonconvex functions, whereas it stays constant for strongly convex functions. Based on this sharp distinction between nonconvex and convex problems, we provide a mathematical interpretation of the benefits of using learning rate decay for nonconvex optimization., Comment: 49 pages, 21 figures

Recently, continuous-time dynamical systems have proved useful in providing conceptual and quantitative insights into gradient-based optimization, widely used in modern machine learning and statistics. An important question that arises in this line of work is how to discretize the system in such a way that its stability and rates of convergence are preserved. In this paper we propose a geometric framework in which such discretizations can be realized systematically, enabling the derivation of "rate-matching" algorithms without the need for a discrete convergence analysis. More specifically, we show that a generalization of symplectic integrators to nonconservative and in particular dissipative Hamiltonian systems is able to preserve rates of convergence up to a controlled error. Moreover, such methods preserve a shadow Hamiltonian despite the absence of a conservation law, extending key results of symplectic integrators to nonconservative cases. Our arguments rely on a combination of backward error analysis with fundamental results from symplectic geometry. We stress that although the original motivation for this work was the application to optimization, where dissipative systems play a natural role, they are fully general and not only provide a differential geometric framework for dissipative Hamiltonian systems but also substantially extend the theory of structure-preserving integration., Comment: matches published version

We undertake a precise study of the asymptotic and non-asymptotic properties of stochastic approximation procedures with Polyak-Ruppert averaging for solving a linear system $\bar{A} \theta = \bar{b}$. When the matrix $\bar{A}$ is Hurwitz, we prove a central limit theorem (CLT) for the averaged iterates with fixed step size and number of iterations going to infinity. The CLT characterizes the exact asymptotic covariance matrix, which is the sum of the classical Polyak-Ruppert covariance and a correction term that scales with the step size. Under assumptions on the tail of the noise distribution, we prove a non-asymptotic concentration inequality whose main term matches the covariance in CLT in any direction, up to universal constants. When the matrix $\bar{A}$ is not Hurwitz but only has non-negative real parts in its eigenvalues, we prove that the averaged LSA procedure actually achieves an $O(1/T)$ rate in mean-squared error. Our results provide a more refined understanding of linear stochastic approximation in both the asymptotic and non-asymptotic settings. We also show various applications of the main results, including the study of momentum-based stochastic gradient methods as well as temporal difference algorithms in reinforcement learning.

The relative case fatality rates (CFRs) between groups and countries are key measures of relative risk that guide policy decisions regarding scarce medical resource allocation during the ongoing COVID-19 pandemic. In the middle of an active outbreak when surveillance data is the primary source of information, estimating these quantities involves compensating for competing biases in time series of deaths, cases, and recoveries. These include time- and severity- dependent reporting of cases as well as time lags in observed patient outcomes. In the context of COVID-19 CFR estimation, we survey such biases and their potential significance. Further, we analyze theoretically the effect of certain biases, like preferential reporting of fatal cases, on naive estimators of CFR. We provide a partially corrected estimator of these naive estimates that accounts for time lag and imperfect reporting of deaths and recoveries. We show that collection of randomized data by testing the contacts of infectious individuals regardless of the presence of symptoms would mitigate bias by limiting the covariance between diagnosis and death. Our analysis is supplemented by theoretical and numerical results and a simple and fast open-source codebase at https://github.com/aangelopoulos/cfr-covid-19 ., Comment: Harvard Data Science Review (2020) article available at https://hdsr.mitpress.mit.edu/pub/y9vc2u36

We address the problem of policy evaluation in discounted Markov decision processes, and provide instance-dependent guarantees on the $\ell_\infty$-error under a generative model. We establish both asymptotic and non-asymptotic versions of local minimax lower bounds for policy evaluation, thereby providing an instance-dependent baseline by which to compare algorithms. Theory-inspired simulations show that the widely-used temporal difference (TD) algorithm is strictly suboptimal when evaluated in a non-asymptotic setting, even when combined with Polyak-Ruppert iterate averaging. We remedy this issue by introducing and analyzing variance-reduced forms of stochastic approximation, showing that they achieve non-asymptotic, instance-dependent optimality up to logarithmic factors., Comment: 38 pages, 3 figures

Observational data are often accompanied by natural structural indices, such as time stamps or geographic locations, which are meaningful to prediction tasks but are often discarded. We leverage semantically meaningful indexing data while ensuring robustness to potentially uninformative or misleading indices. We propose a post-estimation smoothing operator as a fast and effective method for incorporating structural index data into prediction. Because the smoothing step is separate from the original predictor, it applies to a broad class of machine learning tasks, with no need to retrain models. Our theoretical analysis details simple conditions under which post-estimation smoothing will improve accuracy over that of the original predictor. Our experiments on large scale spatial and temporal datasets highlight the speed and accuracy of post-estimation smoothing in practice. Together, these results illuminate a novel way to consider and incorporate the natural structure of index variables in machine learning., Comment: To appear in AISTATS 2020

Mode estimation is a classical problem in statistics with a wide range of applications in machine learning. Despite this, there is little understanding in its robustness properties under possibly adversarial data contamination. In this paper, we give precise robustness guarantees as well as privacy guarantees under simple randomization. We then introduce a theory for multi-armed bandits where the values are the modes of the reward distributions instead of the mean. We prove regret guarantees for the problems of top arm identification, top m-arms identification, contextual modal bandits, and infinite continuous arms top arm recovery. We show in simulations that our algorithms are robust to perturbation of the arms by adversarial noise sequences, thus rendering modal bandits an attractive choice in situations where the rewards may have outliers or adversarial corruptions., Comment: 12 pages, 7 figures, 14 appendix pages

We analyze the convergence rate of various momentum-based optimization algorithms from a dynamical systems point of view. Our analysis exploits fundamental topological properties, such as the continuous dependence of iterates on their initial conditions, to provide a simple characterization of convergence rates. In many cases, closed-form expressions are obtained that relate algorithm parameters to the convergence rate. The analysis encompasses discrete time and continuous time, as well as time-invariant and time-variant formulations, and is not limited to a convex or Euclidean setting. In addition, the article rigorously establishes why symplectic discretization schemes are important for momentum-based optimization algorithms, and provides a characterization of algorithms that exhibit accelerated convergence., Comment: 30 pages; 20 pages appendix and references

Meta-learning, or learning-to-learn, seeks to design algorithms that can utilize previous experience to rapidly learn new skills or adapt to new environments. Representation learning -- a key tool for performing meta-learning -- learns a data representation that can transfer knowledge across multiple tasks, which is essential in regimes where data is scarce. Despite a recent surge of interest in the practice of meta-learning, the theoretical underpinnings of meta-learning algorithms are lacking, especially in the context of learning transferable representations. In this paper, we focus on the problem of multi-task linear regression -- in which multiple linear regression models share a common, low-dimensional linear representation. Here, we provide provably fast, sample-efficient algorithms to address the dual challenges of (1) learning a common set of features from multiple, related tasks, and (2) transferring this knowledge to new, unseen tasks. Both are central to the general problem of meta-learning. Finally, we complement these results by providing information-theoretic lower bounds on the sample complexity of learning these linear features., Comment: Lower bound slightly improved to include task diversity parameter

Thompson sampling for multi-armed bandit problems is known to enjoy favorable performance in both theory and practice. However, it suffers from a significant limitation computationally, arising from the need for samples from posterior distributions at every iteration. We propose two Markov Chain Monte Carlo (MCMC) methods tailored to Thompson sampling to address this issue. We construct quickly converging Langevin algorithms to generate approximate samples that have accuracy guarantees, and we leverage novel posterior concentration rates to analyze the regret of the resulting approximate Thompson sampling algorithm. Further, we specify the necessary hyperparameters for the MCMC procedure to guarantee optimal instance-dependent frequentist regret while having low computational complexity. In particular, our algorithms take advantage of both posterior concentration and a sample reuse mechanism to ensure that only a constant number of iterations and a constant amount of data is needed in each round. The resulting approximate Thompson sampling algorithm has logarithmic regret and its computational complexity does not scale with the time horizon of the algorithm.

In this paper, we consider multi-agent learning via online gradient descent in a class of games called $\lambda$-cocoercive games, a fairly broad class of games that admits many Nash equilibria and that properly includes unconstrained strongly monotone games. We characterize the finite-time last-iterate convergence rate for joint OGD learning on $\lambda$-cocoercive games; further, building on this result, we develop a fully adaptive OGD learning algorithm that does not require any knowledge of problem parameter (e.g. cocoercive constant $\lambda$) and show, via a novel double-stopping time technique, that this adaptive algorithm achieves same finite-time last-iterate convergence rate as non-adaptive counterpart. Subsequently, we extend OGD learning to the noisy gradient feedback case and establish last-iterate convergence results -- first qualitative almost sure convergence, then quantitative finite-time convergence rates -- all under non-decreasing step-sizes. To our knowledge, we provide the first set of results that fill in several gaps of the existing multi-agent online learning literature, where three aspects -- finite-time convergence rates, non-decreasing step-sizes, and fully adaptive algorithms have been unexplored before., Comment: Accepted by ICML 2020; The first two authors contributed equally to this work

Many existing fairness criteria for machine learning involve equalizing some metric across protected groups such as race or gender. However, practitioners trying to audit or enforce such group-based criteria can easily face the problem of noisy or biased protected group information. First, we study the consequences of naively relying on noisy protected group labels: we provide an upper bound on the fairness violations on the true groups G when the fairness criteria are satisfied on noisy groups $\hat{G}$. Second, we introduce two new approaches using robust optimization that, unlike the naive approach of only relying on $\hat{G}$, are guaranteed to satisfy fairness criteria on the true protected groups G while minimizing a training objective. We provide theoretical guarantees that one such approach converges to an optimal feasible solution. Using two case studies, we show empirically that the robust approaches achieve better true group fairness guarantees than the naive approach., Comment: To appear at 34th Conference on Neural Information Processing Systems (NeurIPS 2020); first two authors contributed equally to this work

To make decisions based on a model fit with auto-encoding variational Bayes (AEVB), practitioners often let the variational distribution serve as a surrogate for the posterior distribution. This approach yields biased estimates of the expected risk, and therefore leads to poor decisions for two reasons. First, the model fit with AEVB may not equal the underlying data distribution. Second, the variational distribution may not equal the posterior distribution under the fitted model. We explore how fitting the variational distribution based on several objective functions other than the ELBO, while continuing to fit the generative model based on the ELBO, affects the quality of downstream decisions. For the probabilistic principal component analysis model, we investigate how importance sampling error, as well as the bias of the model parameter estimates, varies across several approximate posteriors when used as proposal distributions. Our theoretical results suggest that a posterior approximation distinct from the variational distribution should be used for making decisions. Motivated by these theoretical results, we propose learning several approximate proposals for the best model and combining them using multiple importance sampling for decision-making. In addition to toy examples, we present a full-fledged case study of single-cell RNA sequencing. In this challenging instance of multiple hypothesis testing, our proposed approach surpasses the current state of the art.

Adaptivity is an important yet under-studied property in modern optimization theory. The gap between the state-of-the-art theory and the current practice is striking in that algorithms with desirable theoretical guarantees typically involve drastically different settings of hyperparameters, such as step-size schemes and batch sizes, in different regimes. Despite the appealing theoretical results, such divisive strategies provide little, if any, insight to practitioners to select algorithms that work broadly without tweaking the hyperparameters. In this work, blending the "geometrization" technique introduced by Lei & Jordan 2016 and the \texttt{SARAH} algorithm of Nguyen et al., 2017, we propose the Geometrized \texttt{SARAH} algorithm for non-convex finite-sum and stochastic optimization. Our algorithm is proved to achieve adaptivity to both the magnitude of the target accuracy and the Polyak-\L{}ojasiewicz (PL) constant if present. In addition, it achieves the best-available convergence rate for non-PL objectives simultaneously while outperforming existing algorithms for PL objectives., Comment: 11 pages, 4 Figures, 20 pages Appendix

We study the fixed-support Wasserstein barycenter problem (FS-WBP), which consists in computing the Wasserstein barycenter of $m$ discrete probability measures supported on a finite metric space of size $n$. We show first that the constraint matrix arising from the standard linear programming (LP) representation of the FS-WBP is \textit{not totally unimodular} when $m \geq 3$ and $n \geq 3$. This result resolves an open question pertaining to the relationship between the FS-WBP and the minimum-cost flow (MCF) problem since it proves that the FS-WBP in the standard LP form is not an MCF problem when $m \geq 3$ and $n \geq 3$. We also develop a provably fast \textit{deterministic} variant of the celebrated iterative Bregman projection (IBP) algorithm, named \textsc{FastIBP}, with a complexity bound of $\tilde{O}(mn^{7/3}\varepsilon^{-4/3})$, where $\varepsilon \in (0, 1)$ is the desired tolerance. This complexity bound is better than the best known complexity bound of $\tilde{O}(mn^2\varepsilon^{-2})$ for the IBP algorithm in terms of $\varepsilon$, and that of $\tilde{O}(mn^{5/2}\varepsilon^{-1})$ from accelerated alternating minimization algorithm or accelerated primal-dual adaptive gradient algorithm in terms of $n$. Finally, we conduct extensive experiments with both synthetic data and real images and demonstrate the favorable performance of the \textsc{FastIBP} algorithm in practice., Comment: Accepted by NeurIPS 2020; fix some confusing parts in the proof and improve the empirical evaluation

This article derives lower bounds on the convergence rate of continuous-time gradient-based optimization algorithms. The algorithms are subjected to a time-normalization constraint that avoids a reparametrization of time in order to make the discussion of continuous-time convergence rates meaningful. We reduce the multi-dimensional problem to a single dimension, recover well-known lower bounds from the discrete-time setting, and provide insight into why these lower bounds occur. We present algorithms that achieve the proposed lower bounds, even when the function class under consideration includes certain nonconvex functions., Comment: 13 pages

This paper resolves a longstanding open question pertaining to the design of near-optimal first-order algorithms for smooth and strongly-convex-strongly-concave minimax problems. Current state-of-the-art first-order algorithms find an approximate Nash equilibrium using $\tilde{O}(\kappa_{\mathbf x}+\kappa_{\mathbf y})$ or $\tilde{O}(\min\{\kappa_{\mathbf x}\sqrt{\kappa_{\mathbf y}}, \sqrt{\kappa_{\mathbf x}}\kappa_{\mathbf y}\})$ gradient evaluations, where $\kappa_{\mathbf x}$ and $\kappa_{\mathbf y}$ are the condition numbers for the strong-convexity and strong-concavity assumptions. A gap still remains between these results and the best existing lower bound $\tilde{\Omega}(\sqrt{\kappa_{\mathbf x}\kappa_{\mathbf y}})$. This paper presents the first algorithm with $\tilde{O}(\sqrt{\kappa_{\mathbf x}\kappa_{\mathbf y}})$ gradient complexity, matching the lower bound up to logarithmic factors. Our algorithm is designed based on an accelerated proximal point method and an accelerated solver for minimax proximal steps. It can be easily extended to the settings of strongly-convex-concave, convex-concave, nonconvex-strongly-concave, and nonconvex-concave functions. This paper also presents algorithms that match or outperform all existing methods in these settings in terms of gradient complexity, up to logarithmic factors., Comment: Accepted by COLT 2020; Improve the writing and fix some confusing parts in the proof