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State-of-the-art automated machine learning systems for tabular data often employ cross-validation; ensuring that measured performances generalize to unseen data, or that subsequent ensembling does not overfit. However, using k-fold…

Machine Learning · Computer Science 2024-08-05 Edward Bergman , Lennart Purucker , Frank Hutter

In the present paper, we prove a new theorem, resulting in an update formula for linear regression model residuals calculating the exact k-fold cross-validation residuals for any choice of cross-validation strategy without model refitting.…

Methodology · Statistics 2024-02-09 Kristian Hovde Liland , Joakim Skogholt , Ulf Geir Indahl

We study the mean-squared error of $k$-fold cross-validation as a risk estimator, with particular emphasis on how its accuracy depends on the number of folds $k$. Despite the widespread use of cross-validation, principled guidance for…

Statistics Theory · Mathematics 2026-05-26 Ido Nachum , Rüdiger Urbanke , Thomas Weinberger

Fifth-generation (5G) mobile communication networks have recently emerged in various fields, including highspeed trains. However, the dense deployment of 5G millimeter wave (mmWave) base stations (BSs) and the high speed of moving trains…

Machine Learning · Computer Science 2023-10-03 Ibrahim Yazici , Emre Gures

Despite ongoing theoretical research on cross-validation (CV), many theoretical questions remain widely open. This motivates our investigation into how properties of algorithm-distribution pairs can affect the choice for the number of folds…

Statistics Theory · Mathematics 2026-01-09 Ido Nachum , Rüdiger Urbanke , Thomas Weinberger

This paper considers the problem of model selection under domain shift. Motivated by principles from distributionally robust optimisation and domain adaptation theory, it is proposed that the training-validation split should maximise the…

Machine Learning · Computer Science 2025-08-19 Andrea Napoli , Paul White

This work develops central limit theorems for cross-validation and consistent estimators of its asymptotic variance under weak stability conditions on the learning algorithm. Together, these results provide practical, asymptotically-exact…

Machine Learning · Statistics 2020-11-03 Pierre Bayle , Alexandre Bayle , Lucas Janson , Lester Mackey

Cross-validation is frequently used for model selection in a variety of applications. However, it is difficult to apply cross-validation to mixed effects models (including nonlinear mixed effects models or NLME models) due to the fact that…

Methodology · Statistics 2013-05-24 Emily Colby , Eric Bair

An important question in constructing Cross Validation (CV) estimators of the generalization error is whether rules can be established that allow "optimal" selection of the size of the training set, for fixed sample size $n$. We define the…

Statistics Theory · Mathematics 2015-11-11 Georgios Afendras , Marianthi Markatou

Theoretical developments on cross validation (CV) have mainly focused on selecting one among a list of finite-dimensional models (e.g., subset or order selection in linear regression) or selecting a smoothing parameter (e.g., bandwidth for…

Statistics Theory · Mathematics 2008-12-18 Yuhong Yang

A popular data-driven method for choosing the bandwidth in standard kernel regression is cross-validation. Even when there are outliers in the data, robust kernel regression can be used to estimate the unknown regression curve [Robust and…

Statistics Theory · Mathematics 2007-06-13 Denis Heng-Yan Leung

We revisit the problem of ensuring strong test set performance via cross-validation, and propose a nested k-fold cross-validation scheme that selects hyperparameters by minimizing a weighted sum of the usual cross-validation metric and an…

Optimization and Control · Mathematics 2026-02-04 Ryan Cory-Wright , Andrés Gómez

In high-dimensional data analysis, regularization methods pursuing sparsity and/or low rank have received a lot of attention recently. To provide a proper amount of shrinkage, it is typical to use a grid search and a model comparison…

Methodology · Statistics 2019-01-01 Yiyuan She , Hoang Tran

Recently, new methods for model assessment, based on subsampling and posterior approximations, have been proposed for scaling leave-one-out cross-validation (LOO) to large datasets. Although these methods work well for estimating predictive…

Methodology · Statistics 2020-08-12 Måns Magnusson , Michael Riis Andersen , Johan Jonasson , Aki Vehtari

The correct use of model evaluation, model selection, and algorithm selection techniques is vital in academic machine learning research as well as in many industrial settings. This article reviews different techniques that can be used for…

Machine Learning · Computer Science 2020-11-12 Sebastian Raschka

It is crucial to assess the predictive performance of a model to establish its practicality and relevance in real-world scenarios, particularly for high-dimensional data analysis. Among data splitting or resampling methods, cross-validation…

Methodology · Statistics 2025-11-26 Iris Ivy Gauran , Hernando Ombao , Zhaoxia Yu

With the growing application of spatial predictive modeling in ecology, the question of how to appropriately evaluate the resulting maps has gained increasing attention. While there is consensus that map accuracy is ideally estimated using…

Methodology · Statistics 2026-05-14 Jan Linnenbrink , Jakub Nowosad , Hanna Meyer

While many statistical models and methods are now available for network analysis, resampling network data remains a challenging problem. Cross-validation is a useful general tool for model selection and parameter tuning, but is not directly…

Methodology · Statistics 2020-05-04 Tianxi Li , Elizaveta Levina , Ji Zhu

In traditional k-fold cross-validation, each instance is used ($k-1$) times for training and once for testing, leading to redundancy that lets many instances disproportionately influence the learning phase. We introduce Irredundant $k$-fold…

Machine Learning · Computer Science 2025-08-29 Jesus S. Aguilar-Ruiz

Cross-Validation (CV) is the default choice for evaluating the performance of machine learning models. Despite its wide usage, their statistical benefits have remained half-understood, especially in challenging nonparametric regimes. In…

Statistics Theory · Mathematics 2024-08-22 Garud Iyengar , Henry Lam , Tianyu Wang