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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

Model selection is a crucial issue in machine-learning and a wide variety of penalisation methods (with possibly data dependent complexity penalties) have recently been introduced for this purpose. However their empirical performance is…

Machine Learning · Statistics 2012-12-11 Charanpal Dhanjal , Nicolas Baskiotis , Stéphan Clémençon , Nicolas Usunier

One of the common goals of time series analysis is to use the observed series to inform predictions for future observations. In the absence of any actual new data to predict, cross-validation can be used to estimate a model's future…

Methodology · Statistics 2020-07-02 Paul-Christian Bürkner , Jonah Gabry , Aki Vehtari

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

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

Many machine learning problems involve Monte Carlo gradient estimators. As a prominent example, we focus on Monte Carlo variational inference (MCVI) in this paper. The performance of MCVI crucially depends on the variance of its stochastic…

Machine Learning · Statistics 2018-07-05 Alexander Buchholz , Florian Wenzel , Stephan Mandt

Theoretical developments on cross validation (CV) have mainly focused on selecting one among a list of finite-dimensional models (e.g., subset or order selection in linear regression) or selecting a smoothing parameter (e.g., bandwidth for…

Statistics Theory · Mathematics 2008-12-18 Yuhong Yang

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

This work develops central limit theorems for cross-validation and consistent estimators of its asymptotic variance under weak stability conditions on the learning algorithm. Together, these results provide practical, asymptotically-exact…

Machine Learning · Statistics 2020-11-03 Pierre Bayle , Alexandre Bayle , Lucas Janson , Lester Mackey

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

Manifold regularization, such as laplacian regularized least squares (LapRLS) and laplacian support vector machine (LapSVM), has been widely used in semi-supervised learning, and its performance greatly depends on the choice of some…

Machine Learning · Computer Science 2019-02-14 Yong Liu , Jian Li , Guangjun Wu , Lizhong Ding , Weiping Wang

Machine learning models experience deteriorated performance when trained in the presence of noisy labels. This is particularly problematic for medical tasks, such as survival prediction, which typically face high label noise complexity with…

Machine Learning · Computer Science 2024-07-22 Jianan Chen , Vishwesh Ramanathan , Tony Xu , Anne L. Martel

This study extensively compares conventional machine learning methods and deep learning for condition monitoring tasks using an AutoML toolbox. The experiments reveal consistent high accuracy in random K-fold cross-validation scenarios…

Machine Learning · Computer Science 2023-08-29 Payman Goodarzi , Andreas Schütze , Tizian Schneider

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 (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

We introduce a novel procedure for obtaining cross-validated predictive estimates for Bayesian hierarchical regression models (BHRMs). Bayesian hierarchical models are popular for their ability to model complex dependence structures and…

Machine Learning · Statistics 2024-10-01 Amy X. Zhang , Le Bao , Changcheng Li , Michael J. Daniels

Importance sampling (IS) is commonly used for cross validation (CV) in Bayesian models, because it only involves reweighting existing posterior draws without needing to re-estimate the model by re-running Markov chain Monte Carlo (MCMC).…

Computation · Statistics 2025-08-12 Geonhee Han , Andrew Gelman

We consider the parametric learning problem, where the objective of the learner is determined by a parametric loss function. Employing empirical risk minimization with possibly regularization, the inferred parameter vector will be biased…

Machine Learning · Statistics 2017-11-16 Ahmad Beirami , Meisam Razaviyayn , Shahin Shahrampour , Vahid Tarokh

In the task of comparing two classification algorithms, the widely-used McNemar's test aims to infer the presence of a significant difference between the error rates of the two classification algorithms. However, the power of the…

Machine Learning · Computer Science 2025-01-07 Jing Yang , Ruibo Wang , Yijun Song , Jihong Li

Leave-one-out cross-validation (LOO-CV) is a popular method for estimating out-of-sample predictive accuracy. However, computing LOO-CV criteria can be computationally expensive due to the need to fit the model multiple times. In the…

Computation · Statistics 2023-09-28 Luca Silva , Giacomo Zanella