Self-Adjusting Variable Neighborhood Search Algorithm for Near-Optimal k-Means Clustering

Abstract

The k-means problem is one of the most popular models in cluster analysis that minimizes the sum of the squared distances from clustered objects to the sought cluster centers (centroids). The simplicity of its algorithmic implementation encourages researchers to apply it in a variety of engineering and scientific branches. Nevertheless, the problem is proven to be NP-hard which makes exact algorithms inapplicable for large scale problems, and the simplest and most popular algorithms result in very poor values of the squared distances sum. If a problem must be solved within a limited time with the maximum accuracy, which would be difficult to improve using known methods without increasing computational costs, the variable neighborhood search (VNS) algorithms, which search in randomized neighborhoods formed by the application of greedy agglomerative procedures, are competitive. In this article, we investigate the influence of the most important parameter of such neighborhoods on the computational efficiency and propose a new VNS-based algorithm (solver), implemented on the graphics processing unit (GPU), which adjusts this parameter. Benchmarking on data sets composed of up to millions of objects demonstrates the advantage of the new algorithm in comparison with known local search algorithms, within a fixed time, allowing for online computation.