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Graph generative models from information theory

Generative models are commonly used in statistical pattern recognition to describe the probability distributions of patterns in a vector space. In recent years, sustained by the wide range of mathematical tools available in vector space, many algorithms for constructing generative models have been developed. Compared with the advanced development of the generative model for vectors, the development of a generative model for graphs has had less progress. In this thesis, we aim to solve the problem of constructing the generative model for graphs using information theory. Given a set of sample graphs, the generative model for the graphs we aim to construct should be able to not only capture the structural variation of the sample graphs, but to also allow new graphs which share similar properties with the original graphs to be generated. In this thesis, we pose the problem of constructing a generative model for graphs as that of constructing a supergraph structure for the graphs. In Chapter 3, we describe a method of constructing a supergraph-based generative model given a set of sample graphs. By adopting the a posteriori probability developed in a graph matching problem, we obtain a probabilistic framework which measures the likelihood of the sample graphs, given the structure of the supergraph and the correspondence information between the nodes of the sample graphs and those of the supergraph. The supergraph we aim to obtain is one which maximizes the likelihood of the sample graphs. The supergraph is represented here by its adjacency matrix, and we develop a variant of the EM algorithm to locate the adjacency matrix that maximizes the likelihood of the sample graphs. Experimental evaluations demonstrate that the constructed supergraph performs well on classifying graphs. In Chapter 4, we aim to develop graph characterizations that can be used to measure the complexity of graphs. The first graph characterization developed is the von Neumann entropy of a graph associated with its normalized Laplacian matrix. This graph characterization is defined by the eigenvalues of the normalized Laplacian matrix, therefore it is a member of the graph invariant characterization. By applying some transformations, we also develop a simplified form of the von Neumann entropy, which can be expressed in terms of the node degree statistics of the graphs. Experimental results reveal that effectiveness of the two graph characterizations. Our third contribution is presented in Chapter 5, where we use the graph characterization developed in Chapter 4 to measure the supergraph complexity and we develop a novel framework for learning a supergraph using the minimum description length criterion. We combine the Jensen-Shanon kernel with our supergraph construction and this provides us with a way of measuring graph similarity. Moreover, we also develop a method of sampling new graphs from the supergraph. The supergraph we present in this chapter is a generative model which can fulfil the tasks of graph classification, graph clustering, and of generating new graphs. We experiment with both the COIL and “Toy” datasets to illustrate the utility of our generative model. Finally, in Chapter 6, we propose a method of selecting prototype graphs of the most appropriate size from candidate prototypes. The method works by partitioning the sample graphs into two parts and approximating their hypothesis space using the partition functions. From the partition functions, the mutual information between the two sets is defined. The prototype which gives the highest mutual information is selected.