arXiv AI
Oct 27

Graph-dependent pooling: adaptive granularity in hierarchical graph neural networks

Graph-Dependent Pooling (GDPool) introduces a dynamic approach to hierarchical graph pooling, allowing each graph to determine its own pooling granularity rather than relying on fixed cluster numbers or ratios. The method employs self-attention to select graph-specific anchors and uses soft node assignment to build coarser graphs, addressing optimization conflicts identified through gradient alignment analysis. Experiments on metal‑organic framework and molecular graph datasets demonstrate that GDPool outperforms existing methods in predictive accuracy, modularity, and exhibits stable behavior across various hyperparameters.

By Bohan Yoon, Hyejin Jang
arXiv AI
Jun 19

Protein Representation Learning with Secondary-Structure and Energy-Filtered Hydrogen-Bond Graphs

arXiv:2606. 19374v1 Announce Type: cross Abstract: Graph-based representations are widely used in protein modeling, yet many existing approaches rely primarily on sequence adjacency or geometric proximity, which only partially reflect the principles governing protein folding.

By Mohamed Mouhajir, Limei Wang, El Houcine Bergou, Hajar El Hammouti, Lamiae Azizi, Dongqi Fu