Ryosuke Motegi

Ryosuke Motegi, Yoichi Seki

Determining the number of clusters is a fundamental issue in data clustering. Several algorithms have been proposed, including centroid-based algorithms using the Euclidean distance and model-based algorithms using a mixture of probability distributions. Among these, greedy algorithms for searching the number of clusters by repeatedly splitting or merging clusters have advantages in terms of computation time for problems with large sample sizes. However, studies comparing these methods in systematic evaluation experiments still need to be included. This study examines centroid- and model-based cluster search algorithms in various cases that Gaussian mixture models (GMMs) can generate. The cases are generated by combining five factors: dimensionality, sample size, the number of clusters, cluster overlap, and covariance type. The results show that some cluster-splitting criteria based on Euclidean distance make unreasonable decisions when clusters overlap. The results also show that model-based algorithms are insensitive to covariance type and cluster overlap compared to the centroid-based method if the sample size is sufficient. Our cluster search implementation codes are available at https://github.com/lipryou/searchClustK

Ryosuke Motegi, Yoichi Seki

Determining the number of clusters in a dataset is a fundamental issue in data clustering. Many methods have been proposed to solve the problem of selecting the number of clusters, considering it to be a problem with regard to model selection. This paper proposes an efficient algorithm that automatically selects a suitable number of clusters based on a probability distribution model framework. The algorithm includes the following two components. First, a generalization of Kohonen's self-organizing map (SOM) is introduced. In Kohonen's SOM, clusters are modeled as mean vectors. In the generalized SOM, each cluster is modeled as a probabilistic distribution and constructed by samples classified based on the likelihood. Second, the dynamically updating method of the SOM structure is introduced. In Kohonen's SOM, each cluster is tied to a node of a fixed two-dimensional lattice space and learned using neighborhood relations between nodes based on Euclidean distance. The extended SOM defines a graph with clusters as vertices and neighborhood relations as links and updates the graph structure by cutting weakly-connection and unnecessary vertex deletions. The weakness of a link is measured using the Kullback--Leibler divergence, and the redundancy of a vertex is measured using the minimum description length. Those extensions make it efficient to determine the appropriate number of clusters. Compared with existing methods, the proposed method is computationally efficient and can accurately select the number of clusters.