arXiv subjects

Ryan J. Tibshirani

Publications and source records attributed to Ryan J. Tibshirani.

At least 37 records · Page 2Linked to original sources

arXiv2024

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 $n$).

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arXiv2024

Optimal Ridge Regularization for Out-of-Distribution Prediction

We study the behavior of optimal ridge regularization and optimal ridge risk for out-of-distribution prediction, where the test distribution deviates arbitrarily from the train distribution. We establish general conditions that determine the sign of the optimal regularization level under covariate and regression shifts. These conditions capture the alignment between the covariance and signal structures in the train and test data and reveal stark differences compared to the in-distribution setting. For example, a negative regularization level can be optimal under covariate shift or regression shift, even when the training features are isotropic or the design is underparameterized. Furthermore, we prove that the optimally-tuned risk is monotonic in the data aspect ratio, even in the out-of-distribution setting and when optimizing over negative regularization levels. In general, our results do not make any modeling assumptions for the train or the test distributions, except for moment bounds, and allow for arbitrary shifts and the widest possible range of (negative) regularization levels.

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arXiv2024

Failures and Successes of Cross-Validation for Early-Stopped Gradient Descent

We analyze the statistical properties of generalized cross-validation (GCV) and leave-one-out cross-validation (LOOCV) applied to early-stopped gradient descent (GD) in high-dimensional least squares regression. We prove that GCV is generically inconsistent as an estimator of the prediction risk of early-stopped GD, even for a well-specified linear model with isotropic features. In contrast, we show that LOOCV converges uniformly along the GD trajectory to the prediction risk. Our theory requires only mild assumptions on the data distribution and does not require the underlying regression function to be linear. Furthermore, by leveraging the individual LOOCV errors, we construct consistent estimators for the entire prediction error distribution along the GD trajectory and consistent estimators for a wide class of error functionals. This in particular enables the construction of pathwise prediction intervals based on GD iterates that have asymptotically correct nominal coverage conditional on the training data.

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arXiv2023

De Finetti's theorem and related results for infinite weighted exchangeable sequences

De Finetti's theorem, also called the de Finetti-Hewitt-Savage theorem, is a foundational result in probability and statistics. Roughly, it says that an infinite sequence of exchangeable random variables can always be written as a mixture of independent and identically distributed (i.i.d.) sequences of random variables. In this paper, we consider a weighted generalization of exchangeability that allows for weight functions to modify the individual distributions of the random variables along the sequence, provided that -- modulo these weight functions -- there is still some common exchangeable base measure. We study conditions under which a de Finetti-type representation exists for weighted exchangeable sequences, as a mixture of distributions which satisfy a weighted form of the i.i.d. property. Our approach establishes a nested family of conditions that lead to weighted extensions of other well-known related results as well, in particular, extensions of the zero-one law and the law of large numbers.

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arXiv2023

Class-Conditional Conformal Prediction with Many Classes

Standard conformal prediction methods provide a marginal coverage guarantee, which means that for a random test point, the conformal prediction set contains the true label with a user-specified probability. In many classification problems, we would like to obtain a stronger guarantee--that for test points of a specific class, the prediction set contains the true label with the same user-chosen probability. For the latter goal, existing conformal prediction methods do not work well when there is a limited amount of labeled data per class, as is often the case in real applications where the number of classes is large. We propose a method called clustered conformal prediction that clusters together classes having "similar" conformal scores and performs conformal prediction at the cluster level. Based on empirical evaluation across four image data sets with many (up to 1000) classes, we find that clustered conformal typically outperforms existing methods in terms of class-conditional coverage and set size metrics.

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arXiv2023

Asymptotics of the Sketched Pseudoinverse

We take a random matrix theory approach to random sketching and show an asymptotic first-order equivalence of the regularized sketched pseudoinverse of a positive semidefinite matrix to a certain evaluation of the resolvent of the same matrix. We focus on real-valued regularization and extend previous results on an asymptotic equivalence of random matrices to the real setting, providing a precise characterization of the equivalence even under negative regularization, including a precise characterization of the smallest nonzero eigenvalue of the sketched matrix, which may be of independent interest. We then further characterize the second-order equivalence of the sketched pseudoinverse. We also apply our results to the analysis of the sketch-and-project method and to sketched ridge regression. Lastly, we prove that these results generalize to asymptotically free sketching matrices, obtaining the resulting equivalence for orthogonal sketching matrices and comparing our results to several common sketches used in practice.

math.NA↗

arXiv2023

Conformal PID Control for Time Series Prediction

We study the problem of uncertainty quantification for time series prediction, with the goal of providing easy-to-use algorithms with formal guarantees. The algorithms we present build upon ideas from conformal prediction and control theory, are able to prospectively model conformal scores in an online setting, and adapt to the presence of systematic errors due to seasonality, trends, and general distribution shifts. Our theory both simplifies and strengthens existing analyses in online conformal prediction. Experiments on 4-week-ahead forecasting of statewide COVID-19 death counts in the U.S. show an improvement in coverage over the ensemble forecaster used in official CDC communications. We also run experiments on predicting electricity demand, market returns, and temperature using autoregressive, Theta, Prophet, and Transformer models. We provide an extendable codebase for testing our methods and for the integration of new algorithms, data sets, and forecasting rules.

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arXiv2023

Flexible Model Aggregation for Quantile Regression

Quantile regression is a fundamental problem in statistical learning motivated by a need to quantify uncertainty in predictions, or to model a diverse population without being overly reductive. For instance, epidemiological forecasts, cost estimates, and revenue predictions all benefit from being able to quantify the range of possible values accurately. As such, many models have been developed for this problem over many years of research in statistics, machine learning, and related fields. Rather than proposing yet another (new) algorithm for quantile regression we adopt a meta viewpoint: we investigate methods for aggregating any number of conditional quantile models, in order to improve accuracy and robustness. We consider weighted ensembles where weights may vary over not only individual models, but also over quantile levels, and feature values. All of the models we consider in this paper can be fit using modern deep learning toolkits, and hence are widely accessible (from an implementation point of view) and scalable. To improve the accuracy of the predicted quantiles (or equivalently, prediction intervals), we develop tools for ensuring that quantiles remain monotonically ordered, and apply conformal calibration methods. These can be used without any modification of the original library of base models. We also review some basic theory surrounding quantile aggregation and related scoring rules, and contribute a few new results to this literature (for example, the fact that post sorting or post isotonic regression can only improve the weighted interval score). Finally, we provide an extensive suite of empirical comparisons across 34 data sets from two different benchmark repositories.

stat.ML↗

arXiv2023

Conformal prediction beyond exchangeability

Conformal prediction is a popular, modern technique for providing valid predictive inference for arbitrary machine learning models. Its validity relies on the assumptions of exchangeability of the data, and symmetry of the given model fitting algorithm as a function of the data. However, exchangeability is often violated when predictive models are deployed in practice. For example, if the data distribution drifts over time, then the data points are no longer exchangeable; moreover, in such settings, we might want to use a nonsymmetric algorithm that treats recent observations as more relevant. This paper generalizes conformal prediction to deal with both aspects: we employ weighted quantiles to introduce robustness against distribution drift, and design a new randomization technique to allow for algorithms that do not treat data points symmetrically. Our new methods are provably robust, with substantially less loss of coverage when exchangeability is violated due to distribution drift or other challenging features of real data, while also achieving the same coverage guarantees as existing conformal prediction methods if the data points are in fact exchangeable. We demonstrate the practical utility of these new tools with simulations and real-data experiments on electricity and election forecasting.

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arXiv2022

The Voronoigram: Minimax Estimation of Bounded Variation Functions From Scattered Data

We consider the problem of estimating a multivariate function $f_0$ of bounded variation (BV), from noisy observations $y_i = f_0(x_i) + z_i$ made at random design points $x_i \in \mathbb{R}^d$, $i=1,\ldots,n$. We study an estimator that forms the Voronoi diagram of the design points, and then solves an optimization problem that regularizes according to a certain discrete notion of total variation (TV): the sum of weighted absolute differences of parameters $θ_i,θ_j$ (which estimate the function values $f_0(x_i),f_0(x_j)$) at all neighboring cells $i,j$ in the Voronoi diagram. This is seen to be equivalent to a variational optimization problem that regularizes according to the usual continuum (measure-theoretic) notion of TV, once we restrict the domain to functions that are piecewise constant over the Voronoi diagram. The regression estimator under consideration hence performs (shrunken) local averaging over adaptively formed unions of Voronoi cells, and we refer to it as the Voronoigram, following the ideas in Koenker (2005), and drawing inspiration from Tukey's regressogram (Tukey, 1961). Our contributions in this paper span both the conceptual and theoretical frontiers: we discuss some of the unique properties of the Voronoigram in comparison to TV-regularized estimators that use other graph-based discretizations; we derive the asymptotic limit of the Voronoi TV functional; and we prove that the Voronoigram is minimax rate optimal (up to log factors) for estimating BV functions that are essentially bounded.

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arXiv2022

Permutation tests using arbitrary permutation distributions

Permutation tests date back nearly a century to Fisher's randomized experiments, and remain an immensely popular statistical tool, used for testing hypotheses of independence between variables and other common inferential questions. Much of the existing literature has emphasized that, for the permutation p-value to be valid, one must first pick a subgroup $G$ of permutations (which could equal the full group) and then recalculate the test statistic on permuted data using either an exhaustive enumeration of $G$, or a sample from $G$ drawn uniformly at random. In this work, we demonstrate that the focus on subgroups and uniform sampling are both unnecessary for validity -- in fact, a simple random modification of the permutation p-value remains valid even when using an arbitrary distribution (not necessarily uniform) over any subset of permutations (not necessarily a subgroup). We provide a unified theoretical treatment of such generalized permutation tests, recovering all known results from the literature as special cases. Thus, this work expands the flexibility of the permutation test toolkit available to the practitioner.

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arXiv2022

Comparing trained and untrained probabilistic ensemble forecasts of COVID-19 cases and deaths in the United States

The U.S. COVID-19 Forecast Hub aggregates forecasts of the short-term burden of COVID-19 in the United States from many contributing teams. We study methods for building an ensemble that combines forecasts from these teams. These experiments have informed the ensemble methods used by the Hub. To be most useful to policy makers, ensemble forecasts must have stable performance in the presence of two key characteristics of the component forecasts: (1) occasional misalignment with the reported data, and (2) instability in the relative performance of component forecasters over time. Our results indicate that in the presence of these challenges, an untrained and robust approach to ensembling using an equally weighted median of all component forecasts is a good choice to support public health decision makers. In settings where some contributing forecasters have a stable record of good performance, trained ensembles that give those forecasters higher weight can also be helpful.

stat.ME↗

arXiv2022

Divided Differences, Falling Factorials, and Discrete Splines: Another Look at Trend Filtering and Related Problems

This paper reviews a class of univariate piecewise polynomial functions known as discrete splines, which share properties analogous to the better-known class of spline functions, but where continuity in derivatives is replaced by (a suitable notion of) continuity in divided differences. As it happens, discrete splines bear connections to a wide array of developments in applied mathematics and statistics, from divided differences and Newton interpolation (dating back to over 300 years ago) to trend filtering (from the last 15 years). We survey these connections, and contribute some new perspectives and new results along the way.

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arXiv2022

Real-Time Estimation of COVID-19 Infections: Deconvolution and Sensor Fusion

We propose, implement, and evaluate a method to estimate the daily number of new symptomatic COVID-19 infections, at the level of individual U.S. counties, by deconvolving daily reported COVID-19 case counts using an estimated symptom-onset-to-case-report delay distribution. Importantly, we focus on estimating infections in real-time (rather than retrospectively), which poses numerous challenges. To address these, we develop new methodology for both the distribution estimation and deconvolution steps, and we employ a sensor fusion layer (which fuses together predictions from models that are trained to track infections based on auxiliary surveillance streams) in order to improve accuracy and stability.

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arXiv2021

Statistical Guarantees for Local Spectral Clustering on Random Neighborhood Graphs

We study the Personalized PageRank (PPR) algorithm, a local spectral method for clustering, which extracts clusters using locally-biased random walks around a given seed node. In contrast to previous work, we adopt a classical statistical learning setup, where we obtain samples from an unknown nonparametric distribution, and aim to identify sufficiently salient clusters. We introduce a trio of population-level functionals -- the normalized cut, conductance, and local spread, analogous to graph-based functionals of the same name -- and prove that PPR, run on a neighborhood graph, recovers clusters with small population normalized cut and large conductance and local spread. We apply our general theory to establish that PPR identifies connected regions of high density (density clusters) that satisfy a set of natural geometric conditions. We also show a converse result, that PPR can fail to recover geometrically poorly-conditioned density clusters, even asymptotically. Finally, we provide empirical support for our theory.

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arXiv2021

Modelling High-Dimensional Categorical Data Using Nonconvex Fusion Penalties

We propose a method for estimation in high-dimensional linear models with nominal categorical data. Our estimator, called SCOPE, fuses levels together by making their corresponding coefficients exactly equal. This is achieved using the minimax concave penalty on differences between the order statistics of the coefficients for a categorical variable, thereby clustering the coefficients. We provide an algorithm for exact and efficient computation of the global minimum of the resulting nonconvex objective in the case with a single variable with potentially many levels, and use this within a block coordinate descent procedure in the multivariate case. We show that an oracle least squares solution that exploits the unknown level fusions is a limit point of the coordinate descent with high probability, provided the true levels have a certain minimum separation; these conditions are known to be minimal in the univariate case. We demonstrate the favourable performance of SCOPE across a range of real and simulated datasets. An R package CatReg implementing SCOPE for linear models and also a version for logistic regression is available on CRAN.

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arXiv2021

Recalibrating probabilistic forecasts of epidemics

Distributional forecasts are important for a wide variety of applications, including forecasting epidemics. Often, forecasts are miscalibrated, or unreliable in assigning uncertainty to future events. We present a recalibration method that can be applied to a black-box forecaster given retrospective forecasts and observations, as well as an extension to make this method more effective in recalibrating epidemic forecasts. This method is guaranteed to improve calibration and log score performance when trained and measured in-sample. We also prove that the increase in expected log score of a recalibrated forecaster is equal to the entropy of the PIT distribution. We apply this recalibration method to the 27 influenza forecasters in the FluSight Network and show that recalibration reliably improves forecast accuracy and calibration. This method is effective, robust, and easy to use as a post-processing tool to improve epidemic forecasts.

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arXiv2021

Minimax Optimal Regression over Sobolev Spaces via Laplacian Eigenmaps on Neighborhood Graphs

In this paper we study the statistical properties of Principal Components Regression with Laplacian Eigenmaps (PCR-LE), a method for nonparametric regression based on Laplacian Eigenmaps (LE). PCR-LE works by projecting a vector of observed responses ${\bf Y} = (Y_1,\ldots,Y_n)$ onto a subspace spanned by certain eigenvectors of a neighborhood graph Laplacian. We show that PCR-LE achieves minimax rates of convergence for random design regression over Sobolev spaces. Under sufficient smoothness conditions on the design density $p$, PCR-LE achieves the optimal rates for both estimation (where the optimal rate in squared $L^2$ norm is known to be $n^{-2s/(2s + d)}$) and goodness-of-fit testing ($n^{-4s/(4s + d)}$). We also show that PCR-LE is \emph{manifold adaptive}: that is, we consider the situation where the design is supported on a manifold of small intrinsic dimension $m$, and give upper bounds establishing that PCR-LE achieves the faster minimax estimation ($n^{-2s/(2s + m)}$) and testing ($n^{-4s/(4s + m)}$) rates of convergence. Interestingly, these rates are almost always much faster than the known rates of convergence of graph Laplacian eigenvectors to their population-level limits; in other words, for this problem regression with estimated features appears to be much easier, statistically speaking, than estimating the features itself. We support these theoretical results with empirical evidence.

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