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The high cost and data scarcity in scientific exploration have motivated the use of large language models (LLMs) as knowledge-driven components in Bayesian optimization (BO). However, existing approaches typically embed LLMs directly into…

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

The lasso procedure is ubiquitous in the statistical and signal processing literature, and as such, is the target of substantial theoretical and applied research. While much of this research focuses on the desirable properties that lasso…

Statistics Theory · Mathematics 2013-08-06 Darren Homrighausen , Daniel J. McDonald

In Bayesian statistics, the marginal likelihood, also known as the evidence, is used to evaluate model fit as it quantifies the joint probability of the data under the prior. In contrast, non-Bayesian models are typically compared using…

Methodology · Statistics 2019-09-24 Edwin Fong , Chris Holmes

This paper introduces and develops a theoretical extension of the widely applicable information criterion (WAIC), called the Covariance-Corrected WAIC (CC-WAIC), that applied for Bayesian sequential data models. The CC-WAIC accounts for…

Methodology · Statistics 2025-09-23 Safaa K. Kadhem

Modeling non-linear temporal trajectories is of fundamental interest in many application areas, such as in longitudinal microbiome analysis. Many existing methods focus on estimating mean trajectories, but it is also often of value to…

Methodology · Statistics 2020-12-02 Lingjing Jiang , Yuan Zhong , Chris Elrod , Loki Natarajan , Rob Knight , Wesley K. Thompson

Subject-exclusive cross-validation is the standard evaluation protocol for facial Action Unit (AU) detection, yet reported improvements are often small. We show that cross-validation itself introduces measurable stochastic variance. On…

Computer Vision and Pattern Recognition · Computer Science 2026-04-03 Saurabh Hinduja , Gurmeet Kaur , Maneesh Bilalpur , Jeffrey Cohn , Shaun Canavan

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

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

Prior design is one of the most important problems in both statistics and machine learning. The cross validation (CV) and the widely applicable information criterion (WAIC) are predictive measures of the Bayesian estimation, however, it has…

Machine Learning · Computer Science 2015-03-30 Sumio Watanabe

In statistical learning, models are classified as regular or singular depending on whether the mapping from parameters to probability distributions is injective. Most models with hierarchical structures or latent variables are singular, for…

Machine Learning · Statistics 2025-11-26 Naoki Hayashi , Takuro Kutsuna , Sawa Takamuku

The growing use of model-selection principles in ecology for statistical inference is underpinned by information criteria (IC) and cross-validation (CV) techniques. Although IC techniques, such as Akaike's Information Criterion, have been…

Methodology · Statistics 2022-03-10 Luke Yates , Zach Aandahl , Shane A. Richards , Barry W. Brook

With flexible modeling software - such as the probabilistic programming language Stan - growing in popularity, quantities of interest (QOIs) calculated post-estimation are increasingly desired and customly implemented, both by statistical…

Methodology · Statistics 2025-03-21 Holger Sennhenn-Reulen

We introduce an analytical framework to quantify the changes in a machine learning algorithm's output distribution following the inclusion of a few data points in its training set, a notion we define as leave-one-out distinguishability…

Machine Learning · Computer Science 2024-04-18 Jiayuan Ye , Anastasia Borovykh , Soufiane Hayou , Reza Shokri

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

The use of Bayesian information criterion (BIC) in the model selection procedure is under the assumption that the observations are independent and identically distributed (i.i.d.). However, in practice, we do not always have i.i.d. samples.…

Applications · Statistics 2021-05-03 Nan Shen , Bárbara González

Methods for combining predictions from different models in a supervised learning setting must somehow estimate/predict the quality of a model's predictions at unknown future inputs. Many of these methods (often implicitly) make the…

Methodology · Statistics 2014-06-25 Thijs van Ommen

Modern variable selection procedures make use of penalization methods to execute simultaneous model selection and estimation. A popular method is the LASSO (least absolute shrinkage and selection operator), the use of which requires…

Methodology · Statistics 2023-01-12 Meadhbh O'Neill , Kevin Burke

Standard techniques such as leave-one-out cross-validation (LOOCV) might not be suitable for evaluating the predictive performance of models incorporating structured random effects. In such cases, the correlation between the training and…

Methodology · Statistics 2024-06-21 A. Adin , E. Krainski , A. Lenzi , Z. Liu , J. Martínez-Minaya , H. Rue

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