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Randomized matrix algorithms have become workhorse tools in scientific computing and machine learning. To use these algorithms safely in applications, they should be coupled with posterior error estimates to assess the quality of the…

Numerical Analysis · Mathematics 2024-10-03 Ethan N. Epperly , Joel A. Tropp

In predictive modeling with simulation or machine learning, it is critical to accurately assess the quality of estimated values through output analysis. In recent decades output analysis has become enriched with methods that quantify the…

Methodology · Statistics 2023-10-27 Kimia Vahdat , Sara Shashaani

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

Cross-validation is a common method for estimating the predictive performance of machine learning models. In a data-scarce regime, where one typically wishes to maximize the number of instances used for training the model, an approach…

Methodology · Statistics 2025-03-25 George I. Austin , Itsik Pe'er , Tal Korem

Common cross-validation (CV) methods like k-fold cross-validation or Monte-Carlo cross-validation estimate the predictive performance of a learner by repeatedly training it on a large portion of the given data and testing on the remaining…

Machine Learning · Computer Science 2021-11-30 Felix Mohr , Jan N. van Rijn

Evaluating the predictive performance of a statistical model is commonly done using cross-validation. Among the various methods, leave-one-out cross-validation (LOOCV) is frequently used. Originally designed for exchangeable observations,…

Computation · Statistics 2025-07-04 Zhedong Liu , Janet Van Niekerk , Haavard Rue

We propose a new approach to falsify causal discovery algorithms without ground truth, which is based on testing the causal model on a pair of variables that has been dropped when learning the causal model. To this end, we use the…

Machine Learning · Statistics 2024-11-11 Daniela Schkoda , Philipp Faller , Patrick Blöbaum , Dominik Janzing

A generic out-of-sample error estimate is proposed for robust $M$-estimators regularized with a convex penalty in high-dimensional linear regression where $(X,y)$ is observed and $p,n$ are of the same order. If $\psi$ is the derivative of…

Statistics Theory · Mathematics 2023-03-31 Pierre C Bellec

For a large class of regularized models, leave-one-out cross-validation can be efficiently estimated with an approximate leave-one-out formula (ALO). We consider the problem of adjusting hyperparameters so as to optimize ALO. We derive…

Machine Learning · Statistics 2020-11-23 Ryan Burn

The valuation of over-the-counter derivatives is subject to a series of valuation adjustments known as xVA, which pose additional risks for financial institutions. Associated risk measures, such as the value-at-risk of an underlying…

Computational Finance · Quantitative Finance 2024-05-24 Michael B. Giles , Abdul-Lateef Haji-Ali , Jonathan Spence

An important issue when using Machine Learning algorithms in recent research is the lack of interpretability. Although these algorithms provide accurate point predictions for various learning problems, uncertainty estimates connected with…

Machine Learning · Statistics 2021-03-11 Burim Ramosaj

Ensemble methods such as bagging and random forests are ubiquitous in various fields, from finance to genomics. Despite their prevalence, the question of the efficient tuning of ensemble parameters has received relatively little attention.…

Methodology · Statistics 2023-12-19 Jin-Hong Du , Pratik Patil , Kathryn Roeder , Arun Kumar Kuchibhotla

Conformal prediction (CP) is an important tool for distribution-free predictive uncertainty quantification. Yet, a major challenge is to balance computational efficiency and prediction accuracy, particularly for multiple predictions. We…

Machine Learning · Statistics 2025-04-17 Kiljae Lee , Yuan Zhang

Model inference, such as model comparison, model checking, and model selection, is an important part of model development. Leave-one-out cross-validation (LOO) is a general approach for assessing the generalizability of a model, but…

Machine Learning · Statistics 2020-08-12 Måns Magnusson , Michael Riis Andersen , Johan Jonasson , Aki Vehtari

Large datasets are often affected by cell-wise outliers in the form of missing or erroneous data. However, discarding any samples containing outliers may result in a dataset that is too small to accurately estimate the covariance matrix.…

Statistics Theory · Mathematics 2023-11-13 Karim Lounici , Grégoire Pacreau

An important question in constructing Cross Validation (CV) estimators of the generalization error is whether rules can be established that allow "optimal" selection of the size of the training set, for fixed sample size $n$. We define the…

Statistics Theory · Mathematics 2015-11-11 Georgios Afendras , Marianthi Markatou

Despite ongoing theoretical research on cross-validation (CV), many theoretical questions remain widely open. This motivates our investigation into how properties of algorithm-distribution pairs can affect the choice for the number of folds…

Statistics Theory · Mathematics 2026-01-09 Ido Nachum , Rüdiger Urbanke , Thomas Weinberger

Leave-one-problem-out (LOPO) performance prediction requires machine learning (ML) models to extrapolate algorithms' performance from a set of training problems to a previously unseen problem. LOPO is a very challenging task even for…

Machine Learning · Computer Science 2023-06-01 Ana Nikolikj , Michal Pluháček , Carola Doerr , Peter Korošec , Tome Eftimov

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

Consider the following class of learning schemes: $$\hat{\boldsymbol{\beta}} := \arg\min_{\boldsymbol{\beta}}\;\sum_{j=1}^n \ell(\boldsymbol{x}_j^\top\boldsymbol{\beta}; y_j) + \lambda R(\boldsymbol{\beta}),\qquad\qquad (1) $$ where…

Machine Learning · Statistics 2018-07-10 Shuaiwen Wang , Wenda Zhou , Haihao Lu , Arian Maleki , Vahab Mirrokni