Graph kernels combined with the neural network on protein classification.

Abstract

At present, most of the researches on protein classification are based on graph kernels. The essence of graph kernels is to extract the substructure and use the similarity of substructures as the kernel values. In this paper, we propose a novel graph kernel named vertex-edge similarity kernel (VES kernel) based on mixed matrix, the innovation point of which is taking the adjacency matrix of the graph as the sample vector of each vertex and calculating kernel values by finding the most similar vertex pair of two graphs. In addition, we combine the novel kernel with the neural network and the experimental results show that the combination is better than the existing advanced methods.