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We introduce a framework for calibrating machine learning models so that their predictions satisfy explicit, finite-sample statistical guarantees. Our calibration algorithms work with any underlying model and (unknown) data-generating…

Machine Learning · Computer Science 2022-10-03 Anastasios N. Angelopoulos , Stephen Bates , Emmanuel J. Candès , Michael I. Jordan , Lihua Lei

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

Generalized cross validation (GCV) is one of the most important approaches used to estimate parameters in the context of inverse problems and regularization techniques. A notable example is the determination of the smoothness parameter in…

Machine Learning · Statistics 2017-06-09 Giulio Bottegal , Gianluigi Pillonetto

Cross-validation assesses the predictive ability of a model, allowing one to rank models accordingly. Although the nonparametric bootstrap is almost always used to assess the variability of a parameter, it can be used as the basis for…

Applications · Statistics 2019-09-30 James Stephens Cavenaugh

Cross-validation plays a fundamental role in Machine Learning, enabling robust evaluation of model performance and preventing overestimation on training and validation data. However, one of its drawbacks is the potential to create data…

Machine Learning · Computer Science 2025-08-28 Afonso Martini Spezia , Thomas Fontanari , Mariana Recamonde-Mendoza

Unsupervised representation learning algorithms such as word2vec and ELMo improve the accuracy of many supervised NLP models, mainly because they can take advantage of large amounts of unlabeled text. However, the supervised models only…

Computation and Language · Computer Science 2018-09-25 Kevin Clark , Minh-Thang Luong , Christopher D. Manning , Quoc V. Le

When facing uncertainty, decision-makers want predictions they can trust. A machine learning provider can convey confidence to decision-makers by guaranteeing their predictions are distribution calibrated -- amongst the inputs that receive…

Machine Learning · Statistics 2021-07-14 Shengjia Zhao , Michael P. Kim , Roshni Sahoo , Tengyu Ma , Stefano Ermon

Recent years have seen substantial advances in our understanding of high-dimensional ridge regression, but existing theories assume that training examples are independent. By leveraging techniques from random matrix theory and free…

Machine Learning · Statistics 2025-11-06 Alexander Atanasov , Jacob A. Zavatone-Veth , Cengiz Pehlevan

Reliable estimation of predictive performance is essential for spatial environmental modeling, where machine-learning models are used to generate maps from unevenly distributed observations. Standard cross-validation (CV) assumes that…

Machine Learning · Computer Science 2026-05-22 Alexander Brenning , Thomas Suesse

Machine learning techniques often lack formal correctness guarantees, evidenced by the widespread adversarial examples that plague most deep-learning applications. This lack of formal guarantees resulted in several research efforts that aim…

Machine Learning · Computer Science 2024-06-11 Anahita Baninajjar , Ahmed Rezine , Amir Aminifar

Automating optimization modeling with LLMs is a promising path toward scalable decision intelligence, but existing approaches either rely on agentic pipelines built on closed-source LLMs with high inference latency, or fine-tune smaller…

Artificial Intelligence · Computer Science 2026-04-02 Runda Guan , Xiangqing Shen , Jiajun Zhang , Yifan Zhang , Jian Cheng , Rui Xia

Calibration strengthens the trustworthiness of black-box models by producing better accurate confidence estimates on given examples. However, little is known about if model explanations can help confidence calibration. Intuitively, humans…

Computation and Language · Computer Science 2022-11-08 Dongfang Li , Baotian Hu , Qingcai Chen

Cross-validation (CV) is a widely-used method of predictive assessment based on repeated model fits to different subsets of the available data. CV is applicable in a wide range of statistical settings. However, in cases where data are not…

Methodology · Statistics 2025-04-23 Alex Cooper , Aki Vehtari , Catherine Forbes

In this article we study the asymptotic predictive optimality of a model selection criterion based on the cross-validatory predictive density, already available in the literature. For a dependent variable and associated explanatory…

Statistics Theory · Mathematics 2008-12-18 Arijit Chakrabarti , Tapas Samanta

It is not an exaggeration to say that the recent progress in artificial intelligence technology depends on large-scale and high-quality data. Simultaneously, a prevalent issue exists everywhere: the budget for data labeling is constrained.…

Machine Learning · Computer Science 2023-08-22 Yujin Hwang , Won Jo , Juyoung Hong , Yukyung Choi

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

It is useful to estimate the expected predictive performance of models planned to be used for prediction. We focus on leave-one-out cross-validation (LOO-CV), which has become a popular method for estimating predictive performance of…

Methodology · Statistics 2025-10-29 Tuomas Sivula , Måns Magnusson , Asael Alonzo Matamoros , Aki Vehtari

A common problem machine learning developers are faced with is overfitting, that is, fitting a pipeline too closely to the training data that the performance degrades for unseen data. Automated machine learning aims to free (or at least…

Machine Learning · Computer Science 2021-02-11 Benjamin Patrick Evans , Bing Xue , Mengjie Zhang

This paper begins with a general theory of error in cross-validation testing of algorithms for supervised learning from examples. It is assumed that the examples are described by attribute-value pairs, where the values are symbolic.…

Machine Learning · Computer Science 2007-05-23 Peter D. Turney

We investigate the issue of model selection and the use of the nonconformity (strangeness) measure in batch learning. Using the nonconformity measure we propose a new training algorithm that helps avoid the need for Cross-Validation or…

Machine Learning · Statistics 2009-09-15 David R. Hardoon , Zakria Hussain , John Shawe-Taylor