Weighted Leave-One-Out Cross Validation

Fuente: arXiv
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Auteurs principaux: Pronzato, Luc, Rendas, Maria-João
Format: Preprint
Publié: 2025
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author Pronzato, Luc
Rendas, Maria-João
author_facet Pronzato, Luc
Rendas, Maria-João
contents We present a weighted version of Leave-One-Out (LOO) cross-validation for estimating the Integrated Squared Error (ISE) when approximating an unknown function by a predictor that depends linearly on evaluations of the function over a finite collection of sites. The method relies on the construction of the best linear estimator of the squared prediction error at an arbitrary unsampled site based on squared LOO residuals, assuming that the function is a realization of a Gaussian Process (GP). A theoretical analysis of performance of the ISE estimator is presented, and robustness with respect to the choice of the GP kernel is investigated first analytically, then through numerical examples. Overall, the estimation of ISE is significantly more precise than with classical, unweighted, LOO cross validation. Application to model selection is briefly considered through examples.
format Preprint
id arxiv_https___arxiv_org_abs_2505_19737
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Weighted Leave-One-Out Cross Validation
Pronzato, Luc
Rendas, Maria-João
Machine Learning
Methodology
We present a weighted version of Leave-One-Out (LOO) cross-validation for estimating the Integrated Squared Error (ISE) when approximating an unknown function by a predictor that depends linearly on evaluations of the function over a finite collection of sites. The method relies on the construction of the best linear estimator of the squared prediction error at an arbitrary unsampled site based on squared LOO residuals, assuming that the function is a realization of a Gaussian Process (GP). A theoretical analysis of performance of the ISE estimator is presented, and robustness with respect to the choice of the GP kernel is investigated first analytically, then through numerical examples. Overall, the estimation of ISE is significantly more precise than with classical, unweighted, LOO cross validation. Application to model selection is briefly considered through examples.
title Weighted Leave-One-Out Cross Validation
topic Machine Learning
Methodology
url https://arxiv.org/abs/2505.19737