E(n) Equivariant Message Passing Cellular Networks

Veljko Kovac, Erik J Bekkers, Pietro Lio, Floor Eijkelboom

Track: Proceedings

Keywords: Graph Neural Networks, Topological Deep Learning, Geometric Deep Learning

Abstract: This paper introduces E(n)-Equivariant Message Passing Cellular Networks (EMPCNs), an extension of E(n)-Equivariant Graph Neural Networks to CW-complexes. Our approach addresses two aspects of geometric message passing networks: 1) enhancing their expressiveness by incorporating arbitrary cells, and 2) achieving this in a computationally efficient way with a decoupled EMPCNs technique. We demonstrate that EMPCNs achieve close to state-of-the-art performance on multiple tasks without the need for steerability, including many-body predictions and motion capture. Moreover, ablation studies confirm that decoupled EMPCNs exhibit stronger generalization capabilities than their non-topologically informed counterparts. These findings show that EMPCNs can be used as a scalable and expressive framework for higher-order message passing in geometric and topological graphs.

Submission Number: 29