Diffusion models represent a leading paradigm for graph generation, with notable impact in domains such as molecular design. Yet, scaling these models to large graphs remains an open problem.
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
arXiv:2603. 23398v3 Announce Type: replace-cross Abstract: Generative modeling of discrete data, such as graphs, underpins many scientific and industrial applications, including molecular discovery and materials design.
By Michal Balcerak, Suprosanna Shit, Chinmay Prabhakar, Sebastian Kaltenbach, Michael S. Albergo, Yilun Du, Bjoern Menze
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
arXiv:2603. 08825v2 Announce Type: replace-cross Abstract: Discrete graph generation has emerged as a powerful paradigm for modeling graph-structured data, yet state of the art models often rely on Graph Transformers or higher order architectures.
By Jay Revolinsky, Harry Shomer, Jiliang Tang
arXiv:2606. 16273v1 Announce Type: cross Abstract: We introduce, to our knowledge, the first deep generative modeling framework for probability distributions continuously supported on compact metric graphs.
By Alessandro Micheli, Yueqi Cao, Anthea Monod, Samir Bhatt
arXiv:2606. 01595v1 Announce Type: new Abstract: Bayesian inference provides a principled framework for modeling epistemic uncertainty in neural networks by treating predictions as distributions rather than deterministic values.
By Fang Wan, Jingxiang Qu, Yi Liu
arXiv:2510. 03690v4 Announce Type: replace Abstract: Real-world graph datasets often arise from mixtures of populations, where graphs are generated by multiple distinct underlying distributions.
By Ali Azizpour, Reza Ramezanpour, Santiago Segarra
arXiv:2606. 04287v1 Announce Type: cross Abstract: Generating realistic and diverse graphs is a key problem in machine learning, with applications in molecular discovery, circuit design, cybersecurity, and beyond.
By Alessio Barboni, Massimiliano Lupo Pasini, Bishal Lakha, Edoardo Serra
arXiv:2606. 26662v1 Announce Type: cross Abstract: Graph Neural Differential Equations (GNDEs) model continuous-time graph dynamics by parameterizing Neural ODE velocity fields with Graph Neural Networks.
By Mingsong Yan, Zhida Wang, Sui Tang
arXiv:2607. 09645v1 Announce Type: cross Abstract: Many real-world processes can be represented as compositions of functions along a directed acyclic graph (DAG).
By Federico L. Perlino, Oliver Hamelijnck, Adam M. Johansen, Theodoros Damoulas
arXiv:2505. 03649v4 Announce Type: replace-cross Abstract: Modeling of intricate relational patterns has become a cornerstone of contemporary statistical research and related data science fields.
By Bernardo Marenco, Paola Bermolen, Marcelo Fiori, Federico Larroca, Gonzalo Mateos