arXiv Machine Learning

Why Multi-Layer Message Passing Works: Completeness Theory for Graph Neural Network Interatomic Potentials

arXiv AI
Aug 3

On the Expressive Power of Sparse Geometric MPNNs

arXiv:2407. 02025v5 Announce Type: replace-cross Abstract: Motivated by applications in chemistry and other sciences, we study the expressive power of message-passing neural networks for geometric graphs, whose node features correspond to 3-dimensional positions.

By Yonatan Sverdlov, Nadav Dym
arXiv Machine Learning
Jul 20

From Diffusion to Reaction-Diffusion: A Dynamical-Systems View of Oversmoothing in Hypergraph Neural Networks

arXiv:2607. 15773v1 Announce Type: new Abstract: Higher-order couplings enhance the expressive power of hypergraph neural networks (HGNNs), but they also intensify representation collapse in deep propagation due to strong multi-way feature mixing.

By Zhiheng Zhou, Mengyao Zhou, Yancheng Chen, Dengyi Zhao, Xingqin Qi, Guiying Yan
arXiv Machine Learning
Aug 18

Unifying Graph Neural Networks Through a Common Layer Equation

arXiv:2608. 16097v1 Announce Type: new Abstract: Graph neural networks are commonly described through family-specific equations whose notation obscures shared computations and structural differences.

By Sai Karthik Navuluru, Siddhartha Shankar Das, Bo Ni, Hongjie Chen, Yu Wang, Baris Coskunuzer, Nesreen K. Ahmed, Franck Dernoncourt, Mahantesh Halappanavar, Tyler Derr, Ryan A. Rossi, Lakshman Tamil
arXiv Machine Learning
Jun 2

Graph Navier Stokes Networks

arXiv:2605. 21247v3 Announce Type: replace Abstract: Graph Neural Networks (GNNs) have emerged as a cornerstone of deep learning, with most existing methods rooted in graph signal processing and diffusion equations to model message passing.

By Zexing Zhao, Guangsi Shi, Yu Gong, Tianyu Wang, Shirui Pan, Hongye Cheng, Yuxiao Li