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:2607. 07232v1 Announce Type: cross Abstract: Diffusion models represent a leading paradigm for graph generation, with notable impact in domains such as molecular design.
arXiv:2606. 11831v1 Announce Type: cross Abstract: Neural relational inference (NRI) methods discover interaction graphs from trajectories through variational reasoning on discrete potential edges.
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.
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.
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.
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.
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.
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.
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.
arXiv:2604. 16648v2 Announce Type: replace Abstract: Tandem mass spectrometry is prominent in scientific discovery workflows for identifying unknown small molecules, yet high-throughput structural elucidation remains challenging.
arXiv:2607. 09645v1 Announce Type: cross Abstract: Many real-world processes can be represented as compositions of functions along a directed acyclic graph (DAG).
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.