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Cross-validation is a widely-used technique to estimate prediction error, but its behavior is complex and not fully understood. Ideally, one would like to think that cross-validation estimates the prediction error for the model at hand, fit…

Methodology · Statistics 2024-03-12 Stephen Bates , Trevor Hastie , Robert Tibshirani

K-fold cross-validation is a widely used tool for assessing classifier performance. The reproducibility crisis faced by artificial intelligence partly results from the irreproducibility of reported k-fold cross-validation-based performance…

Machine Learning · Computer Science 2024-01-26 Attila Fazekas , Gyorgy Kovacs

Robust estimators for linear regression require non-convex objective functions to shield against adverse affects of outliers. This non-convexity brings challenges, particularly when combined with penalization in high-dimensional settings.…

Computation · Statistics 2025-08-08 David Kepplinger , Siqi Wei

Model selection is a crucial issue in machine-learning and a wide variety of penalisation methods (with possibly data dependent complexity penalties) have recently been introduced for this purpose. However their empirical performance is…

Machine Learning · Statistics 2012-12-11 Charanpal Dhanjal , Nicolas Baskiotis , Stéphan Clémençon , Nicolas Usunier

We present a methodology for model evaluation and selection where the sampling mechanism violates the i.i.d. assumption. Our methodology involves a formulation of the bias between the standard Cross-Validation (CV) estimator and the mean…

Methodology · Statistics 2025-03-14 Oren Yuval , Saharon Rosset

Many machine learning algorithms require precise estimates of covariance matrices. The sample covariance matrix performs poorly in high-dimensional settings, which has stimulated the development of alternative methods, the majority based on…

Machine Learning · Statistics 2016-11-04 Daniel Bartz

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

In machine learning, statistics, econometrics and statistical physics, cross-validation (CV) is used asa standard approach in quantifying the generalisation performance of a statistical model. A directapplication of CV in time-series leads…

Machine Learning · Statistics 2021-12-14 Mehmet Süzen , Alper Yegenoglu

As the main workhorse for model selection, Cross Validation (CV) has achieved an empirical success due to its simplicity and intuitiveness. However, despite its ubiquitous role, CV often falls into the following notorious dilemmas. On the…

Machine Learning · Computer Science 2020-12-29 Weikai Li , Chuanxing Geng , Songcan Chen

In this paper, for Lasso penalized linear regression models in high-dimensional settings, we propose a modified cross-validation method for selecting the penalty parameter. The methodology is extended to other penalties, such as Elastic…

Methodology · Statistics 2013-09-10 Yi Yu , Yang Feng

Cross-validation (CV) is routinely used across the sciences to select models and tune parameters, and the resulting choices are often interpreted as substantive scientific conclusions (e.g., which variables, mechanisms, or risk factors are…

Methodology · Statistics 2026-02-03 Kenichiro McAlinn , Kōsaku Takanashi

With machine learning being a popular topic in current computational materials science literature, creating representations for compounds has become common place. These representations are rarely compared, as evaluating their performance -…

Machine Learning · Computer Science 2023-05-26 Samantha Durdy , Michael Gaultois , Vladimir Gusev , Danushka Bollegala , Matthew J. Rosseinsky

This paper introduces e-fold cross-validation, an energy-efficient alternative to k-fold cross-validation. It dynamically adjusts the number of folds based on a stopping criterion. The criterion checks after each fold whether the standard…

Machine Learning · Computer Science 2024-10-29 Christopher Mahlich , Tobias Vente , Joeran Beel

Cross-validation is a standard tool for obtaining a honest assessment of the performance of a prediction model. The commonly used version repeatedly splits data, trains the prediction model on the training set, evaluates the model…

Machine Learning · Statistics 2025-10-10 Tianyu Pan , Vincent Z. Yu , Viswanath Devanarayan , Lu Tian

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

Evaluating models fit to data with internal spatial structure requires specific cross-validation (CV) approaches, because randomly selecting assessment data may produce assessment sets that are not truly independent of data used to train…

Computation · Statistics 2023-03-14 Michael J Mahoney , Lucas K Johnson , Julia Silge , Hannah Frick , Max Kuhn , Colin M Beier

In many applications, we have access to the complete dataset but are only interested in the prediction of a particular region of predictor variables. A standard approach is to find the globally best modeling method from a set of candidate…

Machine Learning · Statistics 2022-02-21 Jiawei Zhang , Jie Ding , Yuhong Yang

This paper studies V-fold cross-validation for model selection in least-squares density estimation. The goal is to provide theoretical grounds for choosing V in order to minimize the least-squares loss of the selected estimator. We first…

Statistics Theory · Mathematics 2015-10-13 Sylvain Arlot , Matthieu Lerasle

The global minimum-variance portfolio is a typical choice for investors because of its simplicity and broad applicability. Although it requires only one input, namely the covariance matrix of asset returns, estimating the optimal solution…

Portfolio Management · Quantitative Finance 2021-01-08 Sven Husmann , Antoniya Shivarova , Rick Steinert

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