Spectral Relaxation for K-means Clustering

In K-means clusters are represented by centers of mass of their members, and it can be shown that the K-means algorithm of alternating between assigning cluster membership for each data vector to the nearest cluster center and computing the center of each cluster as the centroid of its member data vectors is equivalent to finding the minimum of a sum-of-squares cost function using coordinate descend. Despite the popularity of K means clustering, one of its major drawbacks is that the coordinate descend search method is prone to local minima. Much research has been done on computing refined initial points and adding explicit constraints to the sum-of-squares cost function for K-means clustering so that the search can converge to better local minimum [1,2]. In this paper we tackle the problem from a different angle: we find an equivalent formulation of the sum-of-squares minimization as a trace maximization problem with special constraints; relaxing the constraints leads to a maximization problem that possesses optimal global solutions. As a byproduct we also have an easily computable lower bound for the minimum of the sum-of-squares cost function. Our work is inspired by [9, 3] where connection to Gram matrix and extension of K means method to general Mercer kernels were investigated. The rest of the paper is organized as follows: in section 2, we derive the equivalent trace maximization formulation and discuss its spectral relaxation. In section 3, we discuss how to assign cluster membership using pivoted QR decomposition, taking into account the special structure of the partial eigenvector matrix. Finally, in section 4, we illustrate the performance of the clustering algorithms using document clustering as an example.