Ellipsoidal K-Means: An Automatic Clustering Approach for Non-Uniform Data Distributions

Traditional K-means clustering assumes, to some extent, a uniform distribution of data around predefined centroids, which limits its effectiveness for many realistic datasets. In this paper, a new clustering technique, simulated-annealing-based ellipsoidal clustering (SAELLC), is proposed to automatically partition data into an optimal number of ellipsoidal clusters, a capability absent in traditional methods. SAELLC transforms each identified cluster into a hyperspherical cluster, where the diameter of the hypersphere equals the minor axis of the original ellipsoid, and the center is encoded to represent the entire cluster. During the assignment of points to clusters, local ellipsoidal properties are independently considered. For objective function evaluation, the method adaptively transforms these ellipsoidal clusters into a variable number of global clusters. Two objective functions are simultaneously optimized: one reflecting partition compactness using the silhouette function (SF) and Euclidean distance, and another addressing cluster connectedness through a nearest-neighbor algorithm. This optimization is achieved using a newly-developed multiobjective simulated annealing approach. SAELLC is designed to automatically determine the optimal number of clusters, achieve precise partitioning, and accommodate a wide range of cluster shapes, including spherical, ellipsoidal, and non-symmetric forms. Extensive experiments conducted on UCI datasets demonstrated SAELLC’s superior performance compared to six well-known clustering algorithms. The results highlight its remarkable ability to handle diverse data distributions and automatically identify the optimal number of clusters, making it a robust choice for advanced clustering analysis.