Topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. Graph theory is a delightful playground for the exploration of proof techniques in Discrete Mathematics and its results have applications in many areas of sciences. One of the useful indic...

This work considers the task of representation learning on attributed relational graph (ARG). Both nodes and edges in an ARG are associated with attributes/features allowing ARGs to encode rich structural information widely observed real applications. Existing neural networks offer limited ability capture complex interactions within local contexts, which hinders them from taking advantage expre...