Optimisation of Spectral Wavelets for Persistence-based Graph Classification

A graph's spectral wavelet signature determines a filtration, and consequently an associated set of extended persistence diagrams. We propose a framework that optimises the choice of wavelet for a dataset of graphs, such that their associated persistence diagrams capture features of the graphs that are best suited to a given data science problem. Since the spectral wavelet signature of a graph is derived from its Laplacian, our framework encodes geometric properties of graphs in their associated persistence diagrams and can be applied to graphs without a priori vertex features. We demonstrate how our framework can be coupled with different persistence diagram vectorisation methods for various supervised and unsupervised learning problems, such as graph classification and finding persistence maximising filtrations, respectively. To provide the underlying theoretical foundations, we extend the differentiability result for ordinary persistent homology to extended persistent homology.