Degrees of freedom and model selection for k-means clustering

摘要

A thorough investigation into the model degrees of freedom in k-means clustering is conducted. An extension of Stein's lemma is used to obtain an expression for the effective degrees of freedom in the k-means model. Approximating the degrees of freedom in practice requires simplifications of this expression, however empirical studies evince the appropriateness of the proposed approach. The practical relevance of this new degrees of freedom formulation for k-means is demonstrated through model selection using the Bayesian Information Criterion. The reliability of this method is then validated through experiments on simulated data as well as on a large collection of publicly available benchmark data sets from diverse application areas. Comparisons with popular existing techniques indicate that this approach is extremely competitive for selecting high quality clustering solutions. (C) 2020 Elsevier B.V. All rights reserved.