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We develop tools to do valid post-selective inference for a family of model selection procedures, including choosing a model via cross-validated Lasso. The tools apply universally when the following random vectors are jointly asymptotically…

Methodology · Statistics 2018-02-13 Jelena Markovic , Lucy Xia , Jonathan Taylor

In this paper we consider the problem of Gaussian process classifier (GPC) model selection with different Leave-One-Out (LOO) Cross Validation (CV) based optimization criteria and provide a practical algorithm using LOO predictive…

Machine Learning · Computer Science 2012-06-27 Sundararajan Sellamanickam , Sathiya Keerthi Selvaraj

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

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

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

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

Leave-one-out cross-validation (LOO) and the widely applicable information criterion (WAIC) are methods for estimating pointwise out-of-sample prediction accuracy from a fitted Bayesian model using the log-likelihood evaluated at the…

Computation · Statistics 2017-12-18 Aki Vehtari , Andrew Gelman , Jonah Gabry

We analyze the performance of cross-validation (CV) in the density estimation framework with two purposes: (i) risk estimation and (ii) model selection. The main focus is given to the so-called leave-$p$-out CV procedure (Lpo), where $p$…

Statistics Theory · Mathematics 2014-10-02 Alain Celisse

Statistical analyses proceed by an iterative process of model fitting and checking. The R-INLA package facilitates this iteration by fitting many Bayesian models much faster than alternative MCMC approaches. As the interpretation of results…

Computation · Statistics 2020-04-07 Tim Lucas , Andre Python , David Redding

Model checking is essential to evaluate the adequacy of statistical models and the validity of inferences drawn from them. Particularly, hierarchical models such as latent Gaussian models (LGMs) pose unique challenges as it is difficult to…

Methodology · Statistics 2023-07-25 Rafael Cabral , David Bolin , Håvard Rue

Two key tasks in high-dimensional regularized regression are tuning the regularization strength for accurate predictions and estimating the out-of-sample risk. It is known that the standard approach -- $k$-fold cross-validation -- is…

Statistics Theory · Mathematics 2025-10-24 Kevin Luo , Yufan Li , Pragya Sur

We present a weighted version of Leave-One-Out (LOO) cross-validation for estimating the Integrated Squared Error (ISE) when approximating an unknown function by a predictor that depends linearly on evaluations of the function over a finite…

Machine Learning · Statistics 2025-05-27 Luc Pronzato , Maria-João Rendas

Bayesian cross-validation (CV) is a popular method for predictive model assessment that is simple to implement and broadly applicable. A wide range of CV schemes is available for time series applications, including generic leave-one-out…

Methodology · Statistics 2023-10-12 Alex Cooper , Dan Simpson , Lauren Kennedy , Catherine Forbes , Aki Vehtari

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

We present a novel method for tuning the regularization hyper-parameter, $\lambda$, of a ridge regression that is faster to compute than leave-one-out cross-validation (LOOCV) while yielding estimates of the regression parameters of equal,…

Machine Learning · Statistics 2023-11-06 Shu Yu Tew , Mario Boley , Daniel F. Schmidt

Scoring rules are aimed at evaluation of the quality of predictions, but can also be used for estimation of parameters in statistical models. We propose estimating parameters of multivariate spatial models by maximising the average…

Methodology · Statistics 2024-08-23 Helga Kristin Olafsdottir , Holger Rootzén , David Bolin

Studying unified model averaging estimation for situations with complicated data structures, we propose a novel model averaging method based on cross-validation (MACV). MACV unifies a large class of new and existing model averaging…

Methodology · Statistics 2024-12-16 Dalei Yu , Xinyu Zhang , Hua Liang

Recursive partitioning approaches producing tree-like models are a long standing staple of predictive modeling, in the last decade mostly as ``sub-learners'' within state of the art ensemble methods like Boosting and Random Forest. However,…

Machine Learning · Statistics 2015-12-14 Amichai Painsky , Saharon Rosset

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

We study prediction intervals based on leave-one-out residuals in a linear regression model where the number of explanatory variables can be large compared to sample size. We establish uniform asymptotic validity (conditional on the…

Statistics Theory · Mathematics 2016-02-19 Lukas Steinberger , Hannes Leeb