arXiv:2607. 07232v1 Announce Type: cross Abstract: Diffusion models represent a leading paradigm for graph generation, with notable impact in domains such as molecular design.
By Sergio Rozada, Yiming Qin, Manuel Madeira, Pascal Frossard, Alejandro Ribeiro
arXiv:2606. 11831v1 Announce Type: cross Abstract: Neural relational inference (NRI) methods discover interaction graphs from trajectories through variational reasoning on discrete potential edges.
By Qi Shao, Hao Guo, Jiawen Chen, Duxin Chen, Wenwu Yu
The paper introduces the Graph Dynamics Model (GDM), a world model that learns stochastic latent dynamics over evolving graph topologies. GDM employs a sparse recurrent adjacency matrix for topology updates and a recurrent state‑space architecture for stochastic transitions, enabling it to handle partially observable, stochastic environments. The authors also propose the Graph Distribution Distance (GDD) metric, using maximum mean discrepancy with a graph kernel, to compare predicted and true joint graph state distributions, and demonstrate GDM’s superior performance and zero‑shot generalisation on large graphs.
By Alex Schutz, Nick Hawes, Victor-Alexandru Darvariu
arXiv:2609.06499v1 Announce Type: new
Abstract: One-shot federated graph learning (FGL) requires the server to estimate client contributions from highly compressed information, yet conventional volum...
By Shutong Zheng, Lele Fu, Sheng Huang, Wei Yang Bryan Lim, Chuan Chen
arXiv:2608. 12083v1 Announce Type: cross Abstract: Graph Neural Networks (GNNs) achieve strong predictive performance on graph-structured data across domains such as chemistry, biology, and network analysis, yet they provide no intrinsic explanation of their predictions.
By David Bechtoldt, Sidney Bender
Transport-Coupled Bayesian Flows for Molecular Graph Generation (TopBF) addresses a key mismatch in existing diffusion models for molecular graph generation by eliminating the need for hard discretization during sampling. The framework generates graphs directly in continuous parameter distributions, learns graph topology via a Quasi-Wasserstein optimal‑transport coupling with geodesic costs, and enables property‑conditioned generation without retraining. Experiments on QM9 and ZINC250k show that TopBF achieves higher structural fidelity and more efficient generation compared to prior methods.
By Yida Xiong, Jiameng Chen, Kun Li, Hongzhi Zhang, Xiantao Cai, Lei Lei, Wenbin Hu