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Ryan J. Tibshirani

Publications and source records attributed to Ryan J. Tibshirani.

At least 19 recordsLinked to original sources

Conformal Prediction Through the Lens of Hypothesis Testing: Universality, Impossibility, and Optimality

The connections between conformal prediction and permutation tests are already widely-known in the literature. Some authors motivate conformal prediction by saying that it computes a permutation p-value for the hypothesis $H_0 : Y_{n+1} = y$, and then inverts this to form a prediction set for $Y_{n+1}$ (i.e., accepts all values $y$ into the prediction set for which the p-value is large). In this paper, we examine an alternative view, which is less well-known: we again cast conformal prediction via the inversion of a permutation test, but for the null of exchangeability of the joint distribution of the $n+1$ samples. This change in perspective, while simple, adheres more closely to traditional formalization in hypothesis testing, which offers several benefits. First, we use the duality between conformal sets and testing to show that foundational universality and impossibility results in the conformal prediction literature can be reproduced directly using classical hypothesis testing theory (due to Neyman, Lehmann, Scheff{é}, Kraft, Le Cam, and others). Furthermore, we show that an optimality result for conformal prediction can be derived using standard Neyman-Pearson theory: for any joint distribution of the covariates and response $X,Y$, and any sample size, the optimal method for prediction sets---delivering the most efficient set among all methods with valid coverage for exchangeable distributions---is a conformal predictor whose score is the inverse conditional density of $Y|X$.

math.ST↗

Basic Inequalities for First-Order Optimization with Applications to Statistical Risk Analysis

In this work, we introduce $\textit{basic inequalities}$ for first-order iterative optimization algorithms, forming a simple yet versatile framework which connects implicit and explicit regularization. Building on related comparison inequalities for optimization iterates that already exist in the literature, we extend and unify these arguments to produce a general framework, which can be used as a tool for statistical analysis. In more detail, let $f$ denote the objective function to be optimized. Given a first-order iterative algorithm initialized at $θ_0$, with current iterate $θ_T$, the basic inequality upper bounds $f(θ_T) - f(z)$ for any reference point $z$ in terms of the accumulated step sizes, and the distances between $θ_0$, $θ_T$, and $z$. These distances are measured in a geometry inherent to the optimization algorithm, which then translates into a notion of regularization being applied across the path of iterates. In addition to refining existing results on gradient descent, we provide new results for mirror descent and other first-order methods. We then show how to use these basic inequalities to derive elementary yet useful bounds on the prediction risk of early-stopped gradient descent and exponentiated gradient descent iterates in generalized linear models. We also supplement these findings with numerical experiments.

math.ST↗

Fast, Frequentist Estimation of Epidemic Reproduction Numbers

The effective reproduction number $R_t$ is one of the most important indicators of epidemic dynamics. Estimating $R_t$, typically from case reports or hospitalization counts, poses a challenging inverse problem. One key issue is lag: $R_t$ acts at the moment of transmission, while the data it generates surface days later. To handle this delay and infer recent infections in real time, popular methods take a Bayesian approach, which can be slow and sensitive to prior specification. As an alternative, we propose ConvRt, a frequentist method for retrospective and real-time estimation. ConvRt deconvolves latent infections and then estimates $R_t$ with successive penalized-likelihood steps, using a spline basis to model smooth curves. Across both stylized and data-driven simulations, we demonstrate favorable performance in point estimation, uncertainty quantification, and runtime. Moreover, by untangling smoothness from future projections, ConvRt enables researchers to assess which qualitative narratives about $R_t$ the data support.

stat.AP↗

Blackwell Approachability and Gradient Equilibrium are Equivalent

Gradient equilibrium (GEQ) is a recently introduced online optimization framework that generalizes first-order stationarity from offline optimization and abstracts problems like online conformal prediction. While GEQ has curious similarities with known online learning frameworks, namely regret minimization, prior work has shown that GEQ error and regret are incomparable objectives, leaving open a precise understanding of how GEQ fits into the broader online learning landscape. In this work, we show that GEQ is equivalent to Blackwell approachability in the algorithmic sense. That is, a Blackwell approachability problem can always be solved using queries to a black-box GEQ oracle, with no asymptotic loss in the oracle's error rate, and vice versa. Taken together with known equivalences between approachability, regret minimization, and calibration, these results imply that GEQ is equivalent to these frameworks, as well. Our reductions are efficient and can be used to transfer refined guarantees, such as optimism and strong adaptivity, from regret minimization to GEQ. Along the way, we also identify necessary and sufficient conditions for GEQ, and establish reductions between different notions of GEQ with unconstrained and constrained decision sets.

cs.LG↗

On the Equivalence of Instantaneous and Mechanistic Reproduction Numbers

The effective reproduction number ($R_t$) is widely used to track epidemic dynamics in real time. The standard estimation framework uses "instantaneous $R_t$," defined via the renewal equation, which relates new infections to past infections through a generation interval distribution. Compartmental models like SEIR yield a seemingly distinct quantity, "mechanistic $R_t$," based on the effective contact rate and duration of infectiousness. We prove these two definitions are equivalent under homogeneous mixing, the standard assumption in compartmental modeling. We also derive the generation interval distribution implied by SEIR dynamics. A practical consequence is that generation intervals, often treated as assumption-light inputs to renewal equation estimators, in fact encode specific compartmental structure.

q-bio.PE↗

Estimating Time-Varying Epidemic Severity Rates with Adaptive Deconvolution

Several key metrics in public health convey the probability that a primary event will lead to a more serious secondary event in the future.Several key metrics in public health convey the probability that a primary event will lead to a more serious secondary event in the future. These "severity rates" can change over the course of an epidemic in response to shifting conditions like new therapeutics, variants, or public health interventions. In practice, time-varying parameters such as the case-fatality rate are typically estimated from aggregate count data. Prior work has demonstrated that commonly-used ratio-based estimators can be highly biased, motivating the development of new methods. In this paper, we develop an adaptive deconvolution approach based on approximating a Poisson-binomial model for secondary events, and we regularize the maximum likelihood solution in this model with a trend filtering penalty to produce smooth but locally adaptive estimates of severity rates over time. This enables us to compute severity rates both retrospectively and in real time. Experiments based on COVID-19 death and hospitalization data show that our deconvolution estimator is generally more accurate than the standard ratio-based methods, and displays reasonable robustness to model misspecification.

stat.AP↗

Calibrated Multi-Level Quantile Forecasting

We develop an online method that guarantees calibration of quantile forecasts at multiple quantile levels simultaneously. In this work, a sequence of quantile forecasts is said to be calibrated provided that its $α$-level predictions are greater than or equal to the target value at an $α$ fraction of time steps, for each level $α$. Our procedure, called the multi-level quantile tracker (MultiQT), is lightweight and wraps around any point or quantile forecaster to produce adjusted quantile forecasts that are guaranteed to be calibrated, even against adversarial distribution shifts. Critically, it does so while ensuring that the quantiles remain ordered, e.g., the 0.5-level quantile forecast will never be larger than the 0.6-level forecast. Moreover, the method has a no-regret guarantee, implying it will not degrade the performance of the existing forecaster (asymptotically), with respect to the quantile loss. In our experiments, we find that MultiQT significantly improves the calibration of real forecasters in epidemic and energy forecasting problems, while leaving the quantile loss largely unchanged or slightly improved.

stat.ML↗

Unifying Different Theories of Conformal Prediction

This paper presents a unified framework for understanding the methodology and theory behind several different methods in the conformal prediction literature, which includes standard conformal prediction (CP), weighted conformal prediction (WCP), nonexchangeable conformal prediction (NexCP), and randomly-localized conformal prediction (RLCP), among others. At the crux of our framework is the idea that conformal methods are based on revealing partial information about the data at hand, and positing a conditional distribution for the data given the partial information. Different methods arise from different choices of partial information, and of the corresponding (approximate) conditional distribution. In addition to recovering and unifying existing results, our framework leads to both new theoretical guarantees for existing methods, and new extensions of the conformal methodology.

math.ST↗

Sample-Efficient Omniprediction for Proper Losses

We consider the problem of constructing probabilistic predictions that lead to accurate decisions when employed by downstream users to inform actions. For a single decision maker, designing an optimal predictor is equivalent to minimizing a proper loss function corresponding to the negative utility of that individual. For multiple decision makers, our problem can be viewed as a variant of omniprediction in which the goal is to design a single predictor that simultaneously minimizes multiple losses. Existing algorithms for achieving omniprediction broadly fall into two categories: 1) boosting methods that optimize other auxiliary targets such as multicalibration and obtain omniprediction as a corollary, and 2) adversarial two-player game based approaches that estimate and respond to the ``worst-case" loss in an online fashion. We give lower bounds demonstrating that multicalibration is a strictly more difficult problem than omniprediction and thus the former approach must incur suboptimal sample complexity. For the latter approach, we discuss how these ideas can be used to obtain a sample-efficient algorithm through an online-to-batch conversion. This conversion has the downside of returning a complex, randomized predictor. We improve on this method by designing a more direct, unrandomized algorithm that exploits structural elements of the set of proper losses.

cs.LG↗

Asymmetric Penalties Underlie Proper Loss Functions in Probabilistic Forecasting

Accurately forecasting the probability distribution of phenomena of interest is a classic and ever more widespread goal in statistics and decision theory. In comparison to point forecasts, probabilistic forecasts aim to provide a more complete and informative characterization of the target variable. This endeavor is only fruitful, however, if a forecast is "close" to the distribution it attempts to predict. The role of a loss function -- also known as a scoring rule -- is to make this precise by providing a quantitative measure of proximity between a forecast distribution and target random variable. Numerous loss functions have been proposed in the literature, with a strong focus on proper losses, that is, losses whose expectations are minimized when the forecast distribution is the same as the target. In this paper, we show that a broad class of proper loss functions penalize asymmetrically, in the sense that underestimating a given parameter of the target distribution can incur larger loss than overestimating it, or vice versa. Our theory covers many popular losses, such as the logarithmic, continuous ranked probability, quadratic, and spherical losses, as well as the energy and threshold-weighted generalizations of continuous ranked probability loss. To complement our theory, we present experiments with real epidemiological, meteorological, and retail forecast data sets. Further, as an implication of the loss asymmetries revealed by our work, we show that hedging is possible under a setting of distribution shift.

math.ST↗

Gradient Equilibrium in Online Learning: Theory and Applications

We present a new perspective on online learning that we refer to as gradient equilibrium: a sequence of iterates achieves gradient equilibrium if the average of gradients of losses along the sequence converges to zero. In general, this condition is not implied by, nor implies, sublinear regret. It turns out that gradient equilibrium is achievable by standard online learning methods such as gradient descent and mirror descent with constant step sizes (rather than decaying step sizes, as is usually required for no regret). Further, as we show through examples, gradient equilibrium translates into an interpretable and meaningful property in online prediction problems spanning regression, classification, quantile estimation, and others. Notably, we show that the gradient equilibrium framework can be used to develop a debiasing scheme for black-box predictions under arbitrary distribution shift, based on simple post hoc online descent updates. We also show that post hoc gradient updates can be used to calibrate predicted quantiles under distribution shift, and that the framework leads to unbiased Elo scores for pairwise preference prediction.

cs.LG↗

Integral Probability Metrics Meet Neural Networks: The Radon-Kolmogorov-Smirnov Test

Integral probability metrics (IPMs) constitute a general class of nonparametric two-sample tests that are based on maximizing the mean difference between samples from one distribution $P$ versus another $Q$, over all choices of data transformations $f$ living in some function space $\mathcal{F}$. Inspired by recent work that connects what are known as functions of $\textit{Radon bounded variation}$ (RBV) and neural networks (Parhi and Nowak, 2021, 2023), we study the IPM defined by taking $\mathcal{F}$ to be the unit ball in the RBV space of a given smoothness degree $k \geq 0$. This test, which we refer to as the $\textit{Radon-Kolmogorov-Smirnov}$ (RKS) test, can be viewed as a generalization of the well-known and classical Kolmogorov-Smirnov (KS) test to multiple dimensions and higher orders of smoothness. It is also intimately connected to neural networks: we prove that the witness in the RKS test -- the function $f$ achieving the maximum mean difference -- is always a ridge spline of degree $k$, i.e., a single neuron in a neural network. We can thus leverage the power of modern neural network optimization toolkits to (approximately) maximize the criterion that underlies the RKS test. We prove that the RKS test has asymptotically full power at distinguishing any distinct pair $P \not= Q$ of distributions, derive its asymptotic null distribution, and carry out experiments to elucidate the strengths and weaknesses of the RKS test versus the more traditional kernel MMD test.

stat.ML↗

Revisiting Optimism and Model Complexity in the Wake of Overparameterized Machine Learning

Common practice in modern machine learning involves fitting a large number of parameters relative to the number of observations. These overparameterized models can exhibit surprising generalization behavior, e.g., ``double descent'' in the prediction error curve when plotted against the raw number of model parameters, or another simplistic notion of complexity. In this paper, we revisit model complexity from first principles, by first reinterpreting and then extending the classical statistical concept of (effective) degrees of freedom. Whereas the classical definition is connected to fixed-X prediction error (in which prediction error is defined by averaging over the same, nonrandom covariate points as those used during training), our extension of degrees of freedom is connected to random-X prediction error (in which prediction error is averaged over a new, random sample from the covariate distribution). The random-X setting more naturally embodies modern machine learning problems, where highly complex models, even those complex enough to interpolate the training data, can still lead to desirable generalization performance under appropriate conditions. We demonstrate the utility of our proposed complexity measures through a mix of conceptual arguments, theory, and experiments, and illustrate how they can be used to interpret and compare arbitrary prediction models.

stat.ML↗

Two-Sample Testing with a Graph-Based Total Variation Integral Probability Metric

We consider a novel multivariate nonparametric two-sample testing problem where, under the alternative, distributions $P$ and $Q$ are separated in an integral probability metric over functions of bounded total variation (TV IPM). We propose a new test, the graph TV test, which uses a graph-based approximation to the TV IPM as its test statistic. We show that this test, computed with an $\varepsilon$-neighborhood graph and calibrated by permutation, is minimax rate-optimal for detecting alternatives separated in the TV IPM. As an important special case, we show that this implies the graph TV test is optimal for detecting spatially localized alternatives, whereas the $χ^2$ test is provably suboptimal. Our theory is supported with numerical experiments on simulated and real data.

math.ST↗

Unbiased Test Error Estimation in the Poisson Means Problem via Coupled Bootstrap Techniques

We propose a coupled bootstrap (CB) method for the test error of an arbitrary algorithm that estimates the mean in a Poisson sequence, often called the Poisson means problem. The idea behind our method is to generate two carefully-designed data vectors from the original data vector, by using synthetic binomial noise. One such vector acts as the training sample and the second acts as the test sample. To stabilize the test error estimate, we average this over multiple bootstrap B of the synthetic noise. A key property of the CB estimator is that it is unbiased for the test error in a Poisson problem where the original mean has been shrunken by a small factor, driven by the success probability $p$ in the binomial noise. Further, in the limit as $B \to \infty$ and $p \to 0$, we show that the CB estimator recovers a known unbiased estimator for test error based on Hudson's lemma, under no assumptions on the given algorithm for estimating the mean (in particular, no smoothness assumptions). Our methodology applies to two central loss functions that can be used to define test error: Poisson deviance and squared loss. Via a bias-variance decomposition, for each loss function, we analyze the effects of the binomial success probability and the number of bootstrap samples and on the accuracy of the estimator. We also investigate our method empirically across a variety of settings, using simulated as well as real data.

stat.ME↗

Laplace Meets Moreau: Smooth Approximation to Infimal Convolutions Using Laplace's Method

We study approximations to the Moreau envelope -- and infimal convolutions more broadly -- based on Laplace's method, a classical tool in analysis which ties certain integrals to suprema of their integrands. We believe the connection between Laplace's method and infimal convolutions is generally deserving of more attention in the study of optimization and partial differential equations, since it bears numerous potentially important applications, from proximal-type algorithms to solving Halmiton-Jacobi equations.

math.OC↗

Unbiased Risk Estimation in the Normal Means Problem via Coupled Bootstrap Techniques

We develop a new approach for estimating the risk of an arbitrary estimator of the mean vector in the classical normal means problem. The key idea is to generate two auxiliary data vectors, by adding carefully constructed normal noise vectors to the original data. We then train the estimator of interest on the first auxiliary vector and test it on the second. In order to stabilize the risk estimate, we average this procedure over multiple draws of the synthetic noise vector. A key aspect of this coupled bootstrap (CB) approach is that it delivers an unbiased estimate of risk under no assumptions on the estimator of the mean vector, albeit for a modified and slightly "harder" version of the original problem, where the noise variance is elevated. We prove that, under the assumptions required for the validity of Stein's unbiased risk estimator (SURE), a limiting version of the CB estimator recovers SURE exactly. We then analyze a bias-variance decomposition of the error of the CB estimator, which elucidates the effects of the variance of the auxiliary noise and the number of bootstrap samples on the accuracy of the estimator. Lastly, we demonstrate that the CB estimator performs favorably in various simulated experiments.

math.ST↗

Multivariate Trend Filtering for Lattice Data

We study a multivariate version of trend filtering, called Kronecker trend filtering or KTF, for the case in which the design points form a lattice in $d$ dimensions. KTF is a natural extension of univariate trend filtering (Steidl et al., 2006; Kim et al., 2009; Tibshirani, 2014), and is defined by minimizing a penalized least squares problem whose penalty term sums the absolute (higher-order) differences of the parameter to be estimated along each of the coordinate directions. The corresponding penalty operator can be written in terms of Kronecker products of univariate trend filtering penalty operators, hence the name Kronecker trend filtering. Equivalently, one can view KTF in terms of an $\ell_1$-penalized basis regression problem where the basis functions are tensor products of falling factorial functions, a piecewise polynomial (discrete spline) basis that underlies univariate trend filtering. This paper is a unification and extension of the results in Sadhanala et al. (2016, 2017). We develop a complete set of theoretical results that describe the behavior of $k^{\mathrm{th}}$ order Kronecker trend filtering in $d$ dimensions, for every $k \geq 0$ and $d \geq 1$. This reveals a number of interesting phenomena, including the dominance of KTF over linear smoothers in estimating heterogeneously smooth functions, and a phase transition at $d=2(k+1)$, a boundary past which (on the high dimension-to-smoothness side) linear smoothers fail to be consistent entirely. We also leverage recent results on discrete splines from Tibshirani (2020), in particular, discrete spline interpolation results that enable us to extend the KTF estimate to any off-lattice location in constant-time (independent of the size of the lattice $n$).

stat.ML↗