Advances in Nonnegative Matrix Decomposition with Application to Cluster Analysis

Aalto University, P.O. Box 11000, FI-00076 Aalto www.aalto.fi Author He Zhang Name of the doctoral dissertation Advances in Nonnegative Matrix Decomposition with Application to Cluster Analysis Publisher School of Science Unit Department of Information and Computer Science Series Aalto University publication series DOCTORAL DISSERTATIONS 127/2014 Field of research Machine Learning Manuscript submitted 14 May 2014 Date of the defence 19 September 2014 Permission to publish granted (date) 27 June 2014 Language English Monograph Article dissertation (summary + original articles) Abstract Nonnegative Matrix Factorization (NMF) has found a wide variety of applications in machine learning and data mining. NMF seeks to approximate a nonnegative data matrix by a product of several low-rank factorizing matrices, some of which are constrained to be nonnegative. Such additive nature often results in parts-based representation of the data, which is a desired property especially for cluster analysis.Nonnegative Matrix Factorization (NMF) has found a wide variety of applications in machine learning and data mining. NMF seeks to approximate a nonnegative data matrix by a product of several low-rank factorizing matrices, some of which are constrained to be nonnegative. Such additive nature often results in parts-based representation of the data, which is a desired property especially for cluster analysis. This thesis presents advances in NMF with application in cluster analysis. It reviews a class of higher-order NMF methods called Quadratic Nonnegative Matrix Factorization (QNMF). QNMF differs from most existing NMF methods in that some of its factorizing matrices occur twice in the approximation. The thesis also reviews a structural matrix decomposition method based on Data-Cluster-Data (DCD) random walk. DCD goes beyond matrix factorization and has a solid probabilistic interpretation by forming the approximation with cluster assigning probabilities only. Besides, the Kullback-Leibler divergence adopted by DCD is advantageous in handling sparse similarities for cluster analysis. Multiplicative update algorithms have been commonly used for optimizing NMF objectives, since they naturally maintain the nonnegativity constraint of the factorizing matrix and require no user-specified parameters. In this work, an adaptive multiplicative update algorithm is proposed to increase the convergence speed of QNMF objectives. Initialization conditions play a key role in cluster analysis. In this thesis, a comprehensive initialization strategy is proposed to improve the clustering performance by combining a set of base clustering methods. The proposed method can better accommodate clustering methods that need a careful initialization such as the DCD. The proposed methods have been tested on various real-world datasets, such as text documents, face images, protein, etc. In particular, the proposed approach has been applied to the cluster analysis of emotional data.