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K-fold cross validation (CV) is a popular method for estimating the true performance of machine learning models, allowing model selection and parameter tuning. However, the very process of CV requires random partitioning of the data and so…

Computation and Language · Computer Science 2018-06-20 Henry B. Moss , David S. Leslie , Paul Rayson

Mutation validation (MV) is a recently proposed approach for model selection, garnering significant interest due to its unique characteristics and potential benefits compared to the widely used cross-validation (CV) method. In this study,…

Machine Learning · Computer Science 2024-07-25 Jinyang Yu , Sami Hamdan , Leonard Sasse , Abigail Morrison , Kaustubh R. Patil

In many practices, scientists are particularly interested in detecting which of the predictors are truly associated with a multivariate response. It is more accurate to model multiple responses as one vector rather than separating each…

Methodology · Statistics 2021-11-16 Xiaotian Dai , Guifang Fu , Randall Reese , Shaofei Zhao , Zuofeng Shang

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

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

Cross-validation (CV) is often used to select the regularization parameter in high dimensional problems. However, when applied to the sparse modeling method Lasso, CV leads to models that are unstable in high-dimensions, and consequently…

Methodology · Statistics 2015-10-28 Chinghway Lim , Bin Yu

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

In this paper we briefly review the main methodological aspects concerned with the application of the Bayesian approach to model choice and model averaging in the context of variable selection in regression models. This includes prior…

Computation · Statistics 2016-12-08 Anabel Forte , Gonzalo Garcia-Donato , Mark Steel

Estimating out-of-sample risk for models trained on large high-dimensional datasets is an expensive but essential part of the machine learning process, enabling practitioners to optimally tune hyperparameters. Cross-validation (CV) serves…

Statistics Theory · Mathematics 2025-04-28 Parth Nobel , Daniel LeJeune , Emmanuel J. Candès

Enhanced sampling methods are indispensable in computational physics and chemistry, where atomistic simulations cannot exhaustively sample the high-dimensional configuration space of dynamical systems due to the sampling problem. A class of…

Chemical Physics · Physics 2024-04-04 Jakub Rydzewski , Ming Chen , Tushar K. Ghosh , Omar Valsson

Support vector classification (SVC) is a classical and well-performed learning method for classification problems. A regularization parameter, which significantly affects the classification performance, has to be chosen and this is usually…

Optimization and Control · Mathematics 2021-10-06 Qingna Li , Zhen Li , Alain Zemkoho

In a regression model, prediction is typically performed after model selection. The large variability in the model selection makes the prediction unstable. Thus, it is essential to reduce the variability in model selection and improve…

Computation · Statistics 2024-04-11 Wataru Yoshida , Kei Hirose

When performing regression or classification, we are interested in the conditional probability distribution for an outcome or class variable Y given a set of explanatoryor input variables X. We consider Bayesian models for this task. In…

Machine Learning · Computer Science 2013-02-08 David Heckerman , Christopher Meek

Bayesian hierarchical linear models provide a natural framework to analyze nested and clustered data. Classical estimation with Markov chain Monte Carlo produces well calibrated posterior distributions but becomes computationally expensive…

Methodology · Statistics 2025-12-16 Cristian Parra-Aldana , Juan Sosa

Extending spatio-temporal scale limitations of models for complex atomistic systems considered in biochemistry and materials science necessitates the development of enhanced sampling methods. The potential acceleration in exploring the…

Machine Learning · Statistics 2019-01-18 Markus Schöberl , Nicholas Zabaras , Phaedon-Stelios Koutsourelakis

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

We analyze the statistical properties of generalized cross-validation (GCV) and leave-one-out cross-validation (LOOCV) applied to early-stopped gradient descent (GD) in high-dimensional least squares regression. We prove that GCV is…

Statistics Theory · Mathematics 2024-02-27 Pratik Patil , Yuchen Wu , Ryan J. Tibshirani

We consider comparisons of statistical learning algorithms using multiple data sets, via leave-one-in cross-study validation: each of the algorithms is trained on one data set; the resulting model is then validated on each remaining data…

Applications · Statistics 2015-06-02 Lorenzo Trippa , Levi Waldron , Curtis Huttenhower , Giovanni Parmigiani

Many versions of cross-validation (CV) exist in the literature; and each version though has different variants. All are used interchangeably by many practitioners; yet, without explanation to the connection or difference among them. This…

Machine Learning · Statistics 2022-05-31 Waleed A. Yousef

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