English

Fast Computation of Leave-One-Out Cross-Validation for $k$-NN Regression

Machine Learning 2024-12-05 v2 Data Structures and Algorithms Machine Learning Computation Methodology

Abstract

We describe a fast computation method for leave-one-out cross-validation (LOOCV) for kk-nearest neighbours (kk-NN) regression. We show that, under a tie-breaking condition for nearest neighbours, the LOOCV estimate of the mean square error for kk-NN regression is identical to the mean square error of (k+1)(k+1)-NN regression evaluated on the training data, multiplied by the scaling factor (k+1)2/k2(k+1)^2/k^2. Therefore, to compute the LOOCV score, one only needs to fit (k+1)(k+1)-NN regression only once, and does not need to repeat training-validation of kk-NN regression for the number of training data. Numerical experiments confirm the validity of the fast computation method.

Keywords

Cite

@article{arxiv.2405.04919,
  title  = {Fast Computation of Leave-One-Out Cross-Validation for $k$-NN Regression},
  author = {Motonobu Kanagawa},
  journal= {arXiv preprint arXiv:2405.04919},
  year   = {2024}
}

Comments

To appear in Transactions of Machine Learning Research (TMLR)