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Generalized cross-validation (GCV) is a widely-used method for estimating the squared out-of-sample prediction risk that employs a scalar degrees of freedom adjustment (in a multiplicative sense) to the squared training error. In this…

Statistics Theory · Mathematics 2024-04-23 Pierre C. Bellec , Jin-Hong Du , Takuya Koriyama , Pratik Patil , Kai Tan

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

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

Group number selection is a key problem for group panel data modeling. In this work, we develop a cross-validation (CV) method to tackle this problem. Specifically, we split the panel data into two data folds on the time span, with group…

Methodology · Statistics 2025-05-19 Zhe Li , Xuening Zhu , Changliang Zou

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

Cross-validation (CV) is widely used for tuning a model with respect to user-selected parameters and for selecting a "best" model. For example, the method of $k$-nearest neighbors requires the user to choose $k$, the number of neighbors,…

Applications · Statistics 2012-03-01 Hui Shen , William J. Welch , Jacqueline M. Hughes-Oliver

The stochastic block model and its variants have been a popular tool in analyzing large network data with community structures. In this paper we develop an efficient network cross-validation (NCV) approach to determine the number of…

Methodology · Statistics 2015-03-30 Kehui Chen , Jing Lei

The goal of this paper is to compare several widely used Bayesian model selection methods in practical model selection problems, highlight their differences and give recommendations about the preferred approaches. We focus on the variable…

Methodology · Statistics 2017-12-18 Juho Piironen , Aki Vehtari

Hyperparameter tuning plays a crucial role in optimizing the performance of predictive learners. Cross--validation (CV) is a widely adopted technique for estimating the error of different hyperparameter settings. Repeated cross-validation…

Machine Learning · Computer Science 2023-08-01 Giovanni Maria Merola

Reliable estimation of predictive performance is essential for spatial environmental modeling, where machine-learning models are used to generate maps from unevenly distributed observations. Standard cross-validation (CV) assumes that…

Machine Learning · Computer Science 2026-05-22 Alexander Brenning , Thomas Suesse

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

Gaussian process (GP) models are widely used to analyze spatially referenced data and to predict values at locations without observations. In contrast to many algorithmic procedures, GP models are based on a statistical framework, which…

Computation · Statistics 2020-01-01 Florian Gerber , Douglas W. Nychka

Cross-validation (CV) is one of the main tools for performance estimation and parameter tuning in machine learning. The general recipe for computing CV estimate is to run a learning algorithm separately for each CV fold, a computationally…

Machine Learning · Statistics 2015-07-02 Pooria Joulani , András György , Csaba Szepesvári

Cross-validation (CV) is one of the most widely used techniques in statistical learning for estimating the test error of a model, but its behavior is not yet fully understood. It has been shown that standard confidence intervals for test…

Methodology · Statistics 2023-10-10 Min Woo Sun , Robert Tibshirani

In many applications, we have access to the complete dataset but are only interested in the prediction of a particular region of predictor variables. A standard approach is to find the globally best modeling method from a set of candidate…

Machine Learning · Statistics 2022-02-21 Jiawei Zhang , Jie Ding , Yuhong Yang

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

Robust estimators for linear regression require non-convex objective functions to shield against adverse affects of outliers. This non-convexity brings challenges, particularly when combined with penalization in high-dimensional settings.…

Computation · Statistics 2025-08-08 David Kepplinger , Siqi Wei

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

Cross-Validation (CV), and out-of-sample performance-estimation protocols in general, are often employed both for (a) selecting the optimal combination of algorithms and values of hyper-parameters (called a configuration) for producing the…

Machine Learning · Computer Science 2017-08-28 Ioannis Tsamardinos , Elissavet Greasidou , Michalis Tsagris , Giorgos Borboudakis

K-fold cross-validation (CV) with squared error loss is widely used for evaluating predictive models, especially when strong distributional assumptions cannot be taken. However, CV with squared error loss is not free from distributional…

Methodology · Statistics 2021-08-10 Assaf Rabinowicz , Saharon Rosset