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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

Common cross-validation (CV) methods like k-fold cross-validation or Monte-Carlo cross-validation estimate the predictive performance of a learner by repeatedly training it on a large portion of the given data and testing on the remaining…

Machine Learning · Computer Science 2021-11-30 Felix Mohr , Jan N. van Rijn

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

We introduce a novel procedure for obtaining cross-validated predictive estimates for Bayesian hierarchical regression models (BHRMs). Bayesian hierarchical models are popular for their ability to model complex dependence structures and…

Machine Learning · Statistics 2024-10-01 Amy X. Zhang , Le Bao , Changcheng Li , Michael J. Daniels

We describe a fast computation method for leave-one-out cross-validation (LOOCV) for $k$-nearest neighbours ($k$-NN) regression. We show that, under a tie-breaking condition for nearest neighbours, the LOOCV estimate of the mean square…

Machine Learning · Statistics 2024-12-05 Motonobu Kanagawa

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

A natural method for approximating out-of-sample predictive evaluation is leave-one-out cross-validation (LOOCV) --- we alternately hold out each case from a full data set and then train a Bayesian model using Markov chain Monte Carlo…

Methodology · Statistics 2017-04-28 Longhai Li , Shi Qiu , Bei Zhang , Cindy X. Feng

I develop an algorithm to produce the piecewise quadratic that computes leave-one-out cross-validation for the lasso as a function of its hyperparameter. The algorithm can be used to find exact hyperparameters that optimize leave-one-out…

Machine Learning · Statistics 2025-11-04 Ryan Burn

Cross-validation (CV) is a popular approach for assessing and selecting predictive models. However, when the number of folds is large, CV suffers from a need to repeatedly refit a learning procedure on a large number of training datasets.…

Machine Learning · Statistics 2020-06-12 Ashia Wilson , Maximilian Kasy , Lester Mackey

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

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

We propose a new approach to falsify causal discovery algorithms without ground truth, which is based on testing the causal model on a pair of variables that has been dropped when learning the causal model. To this end, we use the…

Machine Learning · Statistics 2024-11-11 Daniela Schkoda , Philipp Faller , Patrick Blöbaum , Dominik Janzing

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

Many modern data analyses benefit from explicitly modeling dependence structure in data -- such as measurements across time or space, ordered words in a sentence, or genes in a genome. A gold standard evaluation technique is structured…

Machine Learning · Statistics 2020-12-02 Soumya Ghosh , William T. Stephenson , Tin D. Nguyen , Sameer K. Deshpande , Tamara Broderick

For a large class of regularized models, leave-one-out cross-validation can be efficiently estimated with an approximate leave-one-out formula (ALO). We consider the problem of adjusting hyperparameters so as to optimize ALO. We derive…

Machine Learning · Statistics 2020-11-23 Ryan Burn

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

Cross-validation (CV) is a popular method for model-selection. Unfortunately, it is not immediately obvious how to apply CV to unsupervised or exploratory contexts. This thesis discusses some extensions of cross-validation to unsupervised…

Methodology · Statistics 2009-09-17 Patrick O. Perry

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

For linear models that may have asymmetric errors, we study variable selection by cross-validation. The data are split into training and validation sets, with the number of observations in the validation set much larger than in the training…

Methodology · Statistics 2026-01-16 Bilel Bousselmi , Gabriela Ciuperca

The out-of-sample error (OO) is the main quantity of interest in risk estimation and model selection. Leave-one-out cross validation (LO) offers a (nearly) distribution-free yet computationally demanding approach to estimate OO. Recent…

Statistics Theory · Mathematics 2023-10-27 Arnab Auddy , Haolin Zou , Kamiar Rahnama Rad , Arian Maleki