We propose a new kernel function for attributed molecular graphs, which is based on the idea of computing an optimal assignment from the atoms of one molecule to those of another ...
In this paper, we describe two di erent learning tasks for relational structures. When learning a classi er for structures, the relational structures in the training sets are clas...
Tasks of data mining and information retrieval depend on a good distance function for measuring similarity between data instances. The most effective distance function must be for...
Our goal is to fit the multiple instances (or structures) of a generic model existing in data. Here we propose a novel model selection scheme to estimate the number of genuine str...
Abstract— The generalised linear model (GLM) is the standard approach in classical statistics for regression tasks where it is appropriate to measure the data misfit using a lik...
Gavin C. Cawley, Gareth J. Janacek, Nicola L. C. T...