ERAN TREISTER

Senior Academic

GRAPH NEURAL REACTION DIFFUSION MODELS

The integration of graph neural networks (GNNs) and neural ordinary and partial differential equations has been extensively studied in recent years. GNN architectures powered by neural differential equations allow us to reason about their behavior, and develop GNNs with desired properties such as controlled smoothing or energy conservation. In this paper we take inspiration from Turing instabilities in a reaction diffusion (RD) system of partial differential equations, and propose a novel family of GNNs based on neural RD systems, called RDGNN. We show that our RDGNN is powerful for the modeling of various data types, from homophilic, to heterophilic, and spatiotemporal datasets. We discuss the theoretical properties of our RDGNN, its implementation, and show that it improves or offers competitive performance to state-of-the-art methods.

Publication language English
Pages C399-C420
Journal SIAM Journal on Scientific Computing
Volume 46
Issue number 4
Publication status Published - 01.01.2024

Keywords

Turing patterns
graph neural networks
reaction diffusion

ASJC Scopus subject areas

Computational Mathematics
Applied Mathematics
Access to Document
10.1137/23M1576700
Other files and links
Link to publication in Scopus