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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

Shear viscosity, though being a fundamental property of all liquids, is computationally expensive to estimate from equilibrium molecular dynamics simulations. Recently, Machine Learning (ML) methods have been used to augment molecular…

Model regularization requires extensive manual tuning to balance complexity against overfitting. Cross-regularization resolves this tradeoff by directly adapting regularization parameters through validation gradients during training. The…

Machine Learning · Computer Science 2025-06-25 Carlos Stein Brito

In this paper, we develop an implementation of cross-validation for penalized linear mixed models. While these models have been proposed for correlated high-dimensional data, the current literature implicitly assumes that tuning parameter…

Methodology · Statistics 2025-03-19 Tabitha K. Peter , Patrick J. Breheny

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

Cardiovascular diseases (CVDs) are any serious illness of the heart, which require accurate diagnosis to prevent fatal consequences. Hyperparameter tuning plays a critical role in optimizing machine learning model performance by selecting…

Machine Learning · Computer Science 2026-05-19 Abhay Kumar Pathak , Mrityunjay Chaubey , Manjari Gupta

Visual instruction tuning is crucial for improving vision-language large models (VLLMs). However, many samples can be solved via linguistic patterns or common-sense shortcuts, without genuine cross-modal reasoning, limiting the…

Artificial Intelligence · Computer Science 2026-03-11 Peng Sun , Huawen Shen , Yi Ban , Tianfan Fu , Yanbo Wang , Yuqiang Li

Many varieties of cross validation would be statistically appealing for the estimation of smoothing and other penalized regression hyperparameters, were it not for the high cost of evaluating such criteria. Here it is shown how to…

Methodology · Statistics 2025-11-06 Simon N. Wood

Evaluating anomaly detection in multivariate time series (MTS) requires careful consideration of temporal dependencies, particularly when detecting subsequence anomalies common in fault detection scenarios. While time series…

Machine Learning · Statistics 2025-06-17 Steven C. Hespeler , Pablo Moriano , Mingyan Li , Samuel C. Hollifield

First, we analyze the variance of the Cross Validation (CV)-based estimators used for estimating the performance of classification rules. Second, we propose a novel estimator to estimate this variance using the Influence Function (IF)…

Machine Learning · Statistics 2021-11-10 Waleed A. Yousef

Joint vision-language models have shown great performance over a diverse set of tasks. However, little is known about their limitations, as the high dimensional space learned by these models makes it difficult to identify semantic errors.…

Computer Vision and Pattern Recognition · Computer Science 2023-06-01 Santiago Castro , Oana Ignat , Rada Mihalcea

We study the mean-squared error of $k$-fold cross-validation as a risk estimator, with particular emphasis on how its accuracy depends on the number of folds $k$. Despite the widespread use of cross-validation, principled guidance for…

Statistics Theory · Mathematics 2026-05-26 Ido Nachum , Rüdiger Urbanke , Thomas Weinberger

Cross-validation is a statistical tool that can be used to improve large covariance matrix estimation. Although its efficiency is observed in practical applications and a convergence result towards the error of the non linear shrinkage is…

Statistics Theory · Mathematics 2025-09-18 Lamia Lamrani , Christian Bongiorno , Marc Potters

We introduce a novel cross-validation method that we call latinCV and we compare this method to other model selection methods using data generated from a stochastic block model. Comparing latinCV to other cross-validation methods, we show…

Methodology · Statistics 2016-05-11 Beau Dabbs , Brian Junker

Cross-validation is a useful and generally applicable technique often employed in machine learning, including decision tree induction. An important disadvantage of straightforward implementation of the technique is its computational…

Machine Learning · Computer Science 2007-05-23 Hendrik Blockeel , Jan Struyf

We investigate an application in the automatic tuning of computer codes, an area of research that has come to prominence alongside the recent rise of distributed scientific processing and heterogeneity in high-performance computing…

Applications · Statistics 2013-04-17 Robert B. Gramacy , Matt Taddy , Stefan M. Wild

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

Combining the mutual information criterion with a forward feature selection strategy offers a good trade-off between optimality of the selected feature subset and computation time. However, it requires to set the parameter(s) of the mutual…

Machine Learning · Computer Science 2007-09-26 Damien François , Fabrice Rossi , Vincent Wertz , Michel Verleysen

Modern data analysis and statistical learning are marked by complex data structures and black-box algorithms. Data complexity stems from technologies such as imaging, remote sensing, wearable devices, and genomic sequencing. At the same…

Statistics Theory · Mathematics 2025-10-30 Jing Lei

Used to estimate the risk of an estimator or to perform model selection, cross-validation is a widespread strategy because of its simplicity and its apparent universality. Many results exist on the model selection performances of…

Statistics Theory · Mathematics 2011-02-01 Sylvain Arlot , Alain Celisse
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