Path homologies of deep feedforward networks

We provide a characterization of two types of directed homology for fully-connected, feedforward neural network architectures. These exact characterizations of the directed homology structure of a neural network architecture are the first of their kind. We show that the directed flag homology of deep networks reduces to computing the simplicial homology of the underlying undirected graph, which is explicitly given by Euler characteristic computations. We also show that the path homology of these networks is non-trivial in higher dimensions and depends on the number and size of the layers within the network. These results provide a foundation for investigating homological differences between neural network architectures and their realized structure as implied by their parameters.Comment: To appear in the proceedings of IEEE ICMLA 201

Topological Graph Neural Networks

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures, such as cycles. We present TOGL, a novel layer that incorporates global topological information of a graph using persistent homology. TOGL can be easily integrated into any type of GNN and is strictly more expressive in terms of the Weisfeiler--Lehman test of isomorphism. Augmenting GNNs with our layer leads to beneficial predictive performance for graph and node classification tasks, both on synthetic data sets, which can be classified by humans using their topology but not by ordinary GNNs, and on real-world data