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Leave-one-out cross-validation (LOO-CV) is a popular method for estimating out-of-sample predictive accuracy. However, computing LOO-CV criteria can be computationally expensive due to the need to fit the model multiple times. In the…

Computation · Statistics 2023-09-28 Luca Silva , Giacomo Zanella

The present work aims at deriving theoretical guaranties on the behavior of some cross-validation procedures applied to the $k$-nearest neighbors ($k$NN) rule in the context of binary classification. Here we focus on the leave-$p$-out…

Statistics Theory · Mathematics 2017-10-13 Alain Celisse , Tristan Mary-Huard

The paper considers the problem of out-of-sample risk estimation under the high dimensional settings where standard techniques such as $K$-fold cross validation suffer from large biases. Motivated by the low bias of the leave-one-out cross…

Methodology · Statistics 2020-02-12 Kamiar Rahnama Rad , Arian Maleki

Approximate Leave-One-Out Cross-Validation (ALO-CV) is a method that has been proposed to estimate the generalization error of a regularized estimator in the high-dimensional regime where dimension and sample size are of the same order, the…

Statistics Theory · Mathematics 2026-02-13 Pierre C Bellec

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

Cross-validation (CV) methods are popular for selecting the tuning parameter in the high-dimensional variable selection problem. We show the mis-alignment of the CV is one possible reason of its over-selection behavior. To fix this issue,…

Methodology · Statistics 2018-01-17 Yang Feng , Yi Yu

One of the common goals of time series analysis is to use the observed series to inform predictions for future observations. In the absence of any actual new data to predict, cross-validation can be used to estimate a model's future…

Methodology · Statistics 2020-07-02 Paul-Christian Bürkner , Jonah Gabry , Aki Vehtari

We investigate leave-one-out cross validation (CV) as a determinator of the weight of the penalty term in the least absolute shrinkage and selection operator (LASSO). First, on the basis of the message passing algorithm and a perturbative…

Information Theory · Computer Science 2016-06-22 Tomoyuki Obuchi , Yoshiyuki Kabashima

Cross-validation (CV) is a common method to tune machine learning methods and can be used for model selection in regression as well. Because of the structured nature of small, traditional experimental designs, the literature has warned…

Applications · Statistics 2025-06-18 Maria L. Weese , Byran J. Smucker , David J. Edwards

Estimating out-of-sample risk for models trained on large high-dimensional datasets is an expensive but essential part of the machine learning process, enabling practitioners to optimally tune hyperparameters. Cross-validation (CV) serves…

Statistics Theory · Mathematics 2025-04-28 Parth Nobel , Daniel LeJeune , Emmanuel J. Candès

We study the problem of out-of-sample risk estimation in the high dimensional regime where both the sample size $n$ and number of features $p$ are large, and $n/p$ can be less than one. Extensive empirical evidence confirms the accuracy of…

Machine Learning · Statistics 2020-03-05 Kamiar Rahnama Rad , Wenda Zhou , Arian Maleki

Cross-validation can be used to measure a model's predictive accuracy for the purpose of model comparison, averaging, or selection. Standard leave-one-out cross-validation (LOO-CV) requires that the observation model can be factorized into…

Methodology · Statistics 2021-06-21 Paul-Christian Bürkner , Jonah Gabry , Aki Vehtari

Despite a large and significant body of recent work focused on estimating the out-of-sample risk of regularized models in the high dimensional regime, a theoretical understanding of this problem for non-differentiable penalties such as…

Statistics Theory · Mathematics 2024-02-15 Haolin Zou , Arnab Auddy , Kamiar Rahnama Rad , Arian Maleki

Cross-validation (CV) is a technique for evaluating the ability of statistical models/learning systems based on a given data set. Despite its wide applicability, the rather heavy computational cost can prevent its use as the system size…

Machine Learning · Statistics 2016-10-26 Yoshiyuki Kabashima , Tomoyuki Obuchi , Makoto Uemura

Leave-one-out cross-validation (LOOCV) can be particularly accurate among cross-validation (CV) variants for machine learning assessment tasks -- e.g., assessing methods' error or variability. But it is expensive to re-fit a model $N$ times…

Machine Learning · Statistics 2020-06-24 William T. Stephenson , Tamara Broderick

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

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

It is useful to estimate the expected predictive performance of models planned to be used for prediction. We focus on leave-one-out cross-validation (LOO-CV), which has become a popular method for estimating predictive performance of…

Methodology · Statistics 2025-10-29 Tuomas Sivula , Måns Magnusson , Asael Alonzo Matamoros , Aki Vehtari

Model inference, such as model comparison, model checking, and model selection, is an important part of model development. Leave-one-out cross-validation (LOO) is a general approach for assessing the generalizability of a model, but…

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

Evaluating the predictive performance of a statistical model is commonly done using cross-validation. Among the various methods, leave-one-out cross-validation (LOOCV) is frequently used. Originally designed for exchangeable observations,…

Computation · Statistics 2025-07-04 Zhedong Liu , Janet Van Niekerk , Haavard Rue
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