Hugging Face Trending Papers

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

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
arXiv AI
Sep 7

Global to Local: Topology-Preserving Adaptive Graph Pooling via Granular-Ball

The paper introduces Topology-Preserving Adaptive Graph Pooling (TPAGP), a method that partitions graphs into granular balls by combining node features and topology to create multi-granularity representations. TPAGP captures both global and local structural patterns, unlike prior pooling methods that coarsen graphs by removing or clustering nodes. Experiments show TPAGP outperforms existing pooling techniques on benchmark datasets, reducing information loss from fixed-granularity strategies.

By Sen Zhao, Gaojie Xu, Shuyin Xia, Yifan Guan, Yi Liu, Yi Wang, Wei Wang
arXiv Machine Learning
Jun 4

Graph Set Transformer

arXiv:2606. 05116v1 Announce Type: new Abstract: We introduce the Graph Set Transformer (GST), a neural network architecture for learning on sets of graphs, designed for tasks in which per-element predictions depend on set-wide context as well as local structure.

By Jose E. Escrig Molina, Baoquan Chen, Daniel Probst
arXiv AI
Jun 9

What Makes a Desired Graph for Relational Deep Learning?

arXiv:2606. 08491v1 Announce Type: new Abstract: Relational deep learning (RDL) converts relational databases (RDBs) into heterogeneous graphs, but graphs derived directly from database schemas are often not well suited for how graph neural networks (GNNs) perform relational reasoning.

By Yao Cheng, Siqiang Luo