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We describe a fast computation method for leave-one-out cross-validation (LOOCV) for $k$-nearest neighbours ($k$-NN) regression. We show that, under a tie-breaking condition for nearest neighbours, the LOOCV estimate of the mean square…

Machine Learning · Statistics 2024-12-05 Motonobu Kanagawa

Bayesian optimization (BO) is well known to be sample-efficient for solving black-box problems. However, the BO algorithms can sometimes get stuck in suboptimal solutions even with plenty of samples. Intrinsically, such suboptimal problem…

Machine Learning · Computer Science 2025-01-24 Zhendong Guo , Yew-Soon Ong , Tiantian He , Haitao Liu

L1-norm regularized logistic regression models are widely used for analyzing data with binary response. In those analyses, fusing regression coefficients is useful for detecting groups of variables. This paper proposes a binomial logistic…

Methodology · Statistics 2023-12-15 Yuko Kakikawa , Shuichi Kawano

We analyze the performance of cross-validation (CV) in the density estimation framework with two purposes: (i) risk estimation and (ii) model selection. The main focus is given to the so-called leave-$p$-out CV procedure (Lpo), where $p$…

Statistics Theory · Mathematics 2014-10-02 Alain Celisse

Identifying leading measurement units from a large collection is a common inference task in various domains of large-scale inference. Testing approaches, which measure evidence against a null hypothesis rather than effect magnitude, tend to…

Methodology · Statistics 2020-11-17 Nicholas C. Henderson , Michael A. Newton

Selecting the optimal combination of a machine learning (ML) algorithm and its hyper-parameters is crucial for the development of high-performance ML systems. However, since the combination of ML algorithms and hyper-parameters is enormous,…

Machine Learning · Computer Science 2025-02-14 Kazuki Ishikawa , Ryota Ozaki , Yohei Kanzaki , Ichiro Takeuchi , Masayuki Karasuyama

New large language models (LLMs) are being released every day. Some perform significantly better or worse than expected given their parameter count. Therefore, there is a need for a method to independently evaluate models. The current best…

Artificial Intelligence · Computer Science 2025-09-30 Ashwin Ramaswamy , Nestor Demeure , Ermal Rrapaj

Finding translational biomarkers stands center stage of the future of personalized medicine in healthcare. We observed notable challenges in identifying robust biomarkers as some with great performance in one scenario often fail to perform…

Applications · Statistics 2021-07-20 Yichen Lu , Jane Fridlyand , Tiffany Tang , Ting Qi , Noah Simon , Ning Leng

Watanabe-Akaike information criterion (WAIC; Watanabe, 2010) and leave-one-out cross validation (LOO) are two fully Bayesian model selection methods that have been shown to perform better than other traditional information-criterion based…

Applications · Statistics 2018-06-27 Luo Yong

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

Large Language Models (LLMs) often suffer from overconfidence during inference, particularly when adapted to downstream domain-specific tasks with limited data. Previous work addresses this issue by employing approximate Bayesian estimation…

Machine Learning · Computer Science 2025-01-28 Yibin Wang , Haizhou Shi , Ligong Han , Dimitris Metaxas , Hao Wang

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

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

We propose a simple method for evaluating the model that has been chosen by an adaptive regression procedure, our main focus being the lasso. This procedure deletes each chosen predictor and refits the lasso to get a set of models that are…

Methodology · Statistics 2018-06-06 Leying Guan , Robert Tibshirani

We generalize fast Gaussian process leave-one-out formulae to multiple-fold cross-validation, highlighting in turn the covariance structure of cross-validation residuals in both Simple and Universal Kriging frameworks. We illustrate how…

Methodology · Statistics 2023-06-06 David Ginsbourger , Cedric Schärer

We present a novel method for tuning the regularization hyper-parameter, $\lambda$, of a ridge regression that is faster to compute than leave-one-out cross-validation (LOOCV) while yielding estimates of the regression parameters of equal,…

Machine Learning · Statistics 2023-11-06 Shu Yu Tew , Mario Boley , Daniel F. Schmidt

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

Subsampling methods aim to select a subsample as a surrogate for the observed sample. As a powerful technique for large-scale data analysis, various subsampling methods are developed for more effective coefficient estimation and model…

Methodology · Statistics 2021-05-05 Tao Li , Cheng Meng

The generation quality of large language models (LLMs) is often improved by utilizing inference-time sequence-level scaling methods (e.g., Chain-of-Thought). We introduce hyper-parallel scaling, a complementary framework that improves…

Artificial Intelligence · Computer Science 2025-10-15 Soheil Zibakhsh , Mohammad Samragh , Kumari Nishu , Lauren Hannah , Arnav Kundu , Minsik Cho

The masking-one-out (MOO) procedure, masking an observed entry and comparing it versus its imputed values, is a very common procedure for comparing imputation models. We study the optimum of this procedure and generalize it to a missing…

Methodology · Statistics 2025-11-14 Yanjiao Yang , Daniel Suen , Yen-Chi Chen