Ryan L. Murphy

Ryan L. Murphy, Balasubramaniam Srinivasan, Vinayak Rao et al.

This work generalizes graph neural networks (GNNs) beyond those based on the Weisfeiler-Lehman (WL) algorithm, graph Laplacians, and diffusions. Our approach, denoted Relational Pooling (RP), draws from the theory of finite partial exchangeability to provide a framework with maximal representation power for graphs. RP can work with existing graph representation models and, somewhat counterintuitively, can make them even more powerful than the original WL isomorphism test. Additionally, RP allows architectures like Recurrent Neural Networks and Convolutional Neural Networks to be used in a theoretically sound approach for graph classification. We demonstrate improved performance of RP-based graph representations over state-of-the-art methods on a number of tasks.

Ryan L. Murphy, Balasubramaniam Srinivasan, Vinayak Rao et al.

We consider a simple and overarching representation for permutation-invariant functions of sequences (or multiset functions). Our approach, which we call Janossy pooling, expresses a permutation-invariant function as the average of a permutation-sensitive function applied to all reorderings of the input sequence. This allows us to leverage the rich and mature literature on permutation-sensitive functions to construct novel and flexible permutation-invariant functions. If carried out naively, Janossy pooling can be computationally prohibitive. To allow computational tractability, we consider three kinds of approximations: canonical orderings of sequences, functions with $k$-order interactions, and stochastic optimization algorithms with random permutations. Our framework unifies a variety of existing work in the literature, and suggests possible modeling and algorithmic extensions. We explore a few in our experiments, which demonstrate improved performance over current state-of-the-art methods.