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Related papers: Approximate Cross-Validation for Structured Models

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Cross-validation (CV) is known to provide asymptotically exact tests and confidence intervals for model improvement but only when the model comparison is relatively stable. Surprisingly, we prove that even simple, individually stable models…

Machine Learning · Statistics 2026-02-10 Alexandre Bayle , Lucas Janson , Lester Mackey

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

Cross-validation is a widely used technique for evaluating the performance of prediction models, ranging from simple binary classification to complex precision medicine strategies. It helps correct for optimism bias in error estimates,…

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

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

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

Standard evaluation metrics for machine learning -- accuracy, precision, recall, and AUROC -- assume that all errors are equivalent: a confident incorrect prediction is penalized identically to an uncertain one. For discrete commitment…

Machine Learning · Computer Science 2026-03-03 Datorien L. Anderson

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

Agent-Based Model (ABM) validation is crucial as it helps ensuring the reliability of simulations, and causal discovery has become a powerful tool in this context. However, current causal discovery methods often face accuracy and robustness…

Machine Learning · Computer Science 2026-02-24 Gene Yu , Ce Guo , Wayne Luk

We derive high-dimensional Gaussian comparison results for the standard $V$-fold cross-validated risk estimates. Our results combine a recent stability-based argument for the low-dimensional central limit theorem of cross-validation with…

Statistics Theory · Mathematics 2023-11-15 Nicholas Kissel , Jing Lei

We develop an approximation formula for the cross-validation error (CVE) of a sparse linear regression penalized by $\ell_1$-norm and total variation terms, which is based on a perturbative expansion utilizing the largeness of both the data…

Methodology · Statistics 2017-12-13 Tomoyuki Obuchi , Shiro Ikeda , Kazunori Akiyama , Yoshiyuki Kabashima

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

Generalized cross validation (GCV) is one of the most important approaches used to estimate parameters in the context of inverse problems and regularization techniques. A notable example is the determination of the smoothness parameter in…

Machine Learning · Statistics 2017-06-09 Giulio Bottegal , Gianluigi Pillonetto

Structured variational autoencoders (SVAEs) combine probabilistic graphical model priors on latent variables, deep neural networks to link latent variables to observed data, and structure-exploiting algorithms for approximate posterior…

Machine Learning · Statistics 2023-05-29 Yixiu Zhao , Scott W. Linderman

We investigate generically applicable and intuitively appealing prediction intervals based on $k$-fold cross validation. We focus on the conditional coverage probability of the proposed intervals, given the observations in the training…

Statistics Theory · Mathematics 2022-05-13 Lukas Steinberger , Hannes Leeb

Variable selection plays a fundamental role in high-dimensional data analysis. Various methods have been developed for variable selection in recent years. Well-known examples are forward stepwise regression (FSR) and least angle regression…

Methodology · Statistics 2018-02-01 Siliang Gong , Kai Zhang , Yufeng Liu

Industrial and scientific applications handle large volumes of data that render manual validation by humans infeasible. Therefore, we require automated data validation approaches that are able to consider the prior knowledge of domain…

Machine Learning · Computer Science 2023-03-10 Florian Bachinger , Gabriel Kronberger

Used to estimate the risk of an estimator or to perform model selection, cross-validation is a widespread strategy because of its simplicity and its apparent universality. Many results exist on the model selection performances of…

Statistics Theory · Mathematics 2011-02-01 Sylvain Arlot , Alain Celisse

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

Model comparison is the cornerstone of theoretical progress in psychological research. Common practice overwhelmingly relies on tools that evaluate competing models by balancing in-sample descriptive adequacy against model flexibility, with…

Applications · Statistics 2021-10-11 Viet-Hung Dao , David Gunawan , Minh-Ngoc Tran , Robert Kohn , Guy E. Hawkins , Scott D. Brown