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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

As the main workhorse for model selection, Cross Validation (CV) has achieved an empirical success due to its simplicity and intuitiveness. However, despite its ubiquitous role, CV often falls into the following notorious dilemmas. On the…

Machine Learning · Computer Science 2020-12-29 Weikai Li , Chuanxing Geng , Songcan Chen

Structural estimation is an important methodology in empirical economics, and a large class of structural models are estimated through the generalized method of moments (GMM). Traditionally, selection of structural models has been performed…

Econometrics · Economics 2018-07-19 Junpei Komiyama , Hajime Shimao

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 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

In machine learning one often assumes the data are independent when evaluating model performance. However, this rarely holds in practise. Geographic information data sets are an example where the data points have stronger dependencies among…

Applications · Statistics 2020-06-01 Jonne Pohjankukka , Tapio Pahikkala , Paavo Nevalainen , Jukka Heikkonen

A popular technique for selecting and tuning machine learning estimators is cross-validation. Cross-validation evaluates overall model fit, usually in terms of predictive accuracy. In causal inference, the optimal choice of estimator…

Methodology · Statistics 2021-07-07 Dominik Rothenhäusler

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

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

Evaluating models fit to data with internal spatial structure requires specific cross-validation (CV) approaches, because randomly selecting assessment data may produce assessment sets that are not truly independent of data used to train…

Computation · Statistics 2023-03-14 Michael J Mahoney , Lucas K Johnson , Julia Silge , Hannah Frick , Max Kuhn , Colin M Beier

Cross-validation (CV) is a technique for evaluating the ability of statistical models/learning systems based on a given data set. Despite its wide applicability, the rather heavy computational cost can prevent its use as the system size…

Machine Learning · Statistics 2016-10-26 Yoshiyuki Kabashima , Tomoyuki Obuchi , Makoto Uemura

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

Model averaging is an important alternative to model selection with attractive prediction accuracy. However, its application to high-dimensional data remains under-explored. We propose a high-dimensional model averaging method via…

Statistics Theory · Mathematics 2025-06-11 Zhengyan Wan , Fang Fang , Binyan Jiang

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 Maximum Likelihood (ML) and Cross Validation (CV) methods for estimating covariance hyper-parameters are compared, in the context of Kriging with a misspecified covariance structure. A two-step approach is used. First, the case of the…

Statistics Theory · Mathematics 2013-06-03 François Bachoc

State-of-the-art machine learning often follows a two-stage process: $(i)$~pre-training on large, general-purpose datasets; $(ii)$~fine-tuning on task-specific data. In fine-tuning, selecting training examples that closely reflect the…

Machine Learning · Computer Science 2025-10-02 Ayush Jain , Andrea Montanari , Eren Sasoglu

Cross-validation (CV) is a popular approach for assessing and selecting predictive models. However, when the number of folds is large, CV suffers from a need to repeatedly refit a learning procedure on a large number of training datasets.…

Machine Learning · Statistics 2020-06-12 Ashia Wilson , Maximilian Kasy , Lester Mackey

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

Many machine learning algorithms require precise estimates of covariance matrices. The sample covariance matrix performs poorly in high-dimensional settings, which has stimulated the development of alternative methods, the majority based on…

Machine Learning · Statistics 2016-11-04 Daniel Bartz

The adaptive lasso refers to a class of methods that use weighted versions of the $L_1$-norm penalty, with weights derived from an initial estimate of the parameter vector to be estimated. Irrespective of the method chosen to compute this…

Methodology · Statistics 2021-07-16 Ballout Nadim , Etievant Lola , Viallon Vivian