Random Probing for Structural Self-Interactions in Graph Neural Networks
2610.18164

Authors

Kubilay Atasu,Saku Peltonen,H. Çağrı Bilgi

Abstract

Graph Neural Networks (GNNs) fundamentally lack the ability to capture structural properties defined by node self-interactions, such as cycle counts, subgraph centrality, and heat kernel signatures. Existing solutions often rely on computationally expensive higher-order architectures or hand-crafted features.

In this work, we introduce DIAL, a message-passing layer that gives nodes access to graph structure through the diagonal of graph-derived operators. Our approach uses randomized probing to provide nodes with learnable, permutation equivariant access to diagonal entries.

We prove that our approach can express important structural features, including cycle counts, subgraph centrality, and heat kernel signatures. The proposed method can be integrated directly into message passing layers.

Experiments on molecular property prediction, cycle counting, and pattern detection demonstrate the effectiveness of DIAL across a range of graph learning tasks.

Resources

Ray graphicRay graphicRay graphicRay graphic

Stay in the loop

Every AI paper that matters, free in your inbox daily.

Details

  • takara.ai
  • Custom AI and machine learning from the Frontier Research Team.
  • © 2026 takara.ai Ltd
  • Content is sourced from third-party publications.
Ray graphicRay graphicRay graphic