Toward a Unified Geometry Understanding : Riemannian Diffusion Framework for Graph Generation and Prediction
Yisen Gao, Xingcheng Fu, Qingyun Sun, Jianxin Li, Xianxian Li
Abstract
Graph diffusion models have made significant progress in learning structured graph data and have demonstrated strong potential for predictive tasks. Existing approaches typically embed node, edge, and graph-level features into a unified latent space, modeling prediction tasks including classification and regression as a form of conditional generation. However, due to the non-Euclidean nature of graph data, features of different curvatures are entangled in the same latent space without releasing their geometric potential. To address this issue, we aim to construt an ideal Riemannian diffusion model to capture distinct manifold signatures of complex graph data and learn their distribution. This goal faces two challenges: numerical instability caused by exponential mapping during the encoding proces and manifold deviation during diffusion generation. To address these challenges, we propose GeoMancer: a novel Riemannian graph diffusion framework for both generation and prediction tasks. To mitigate numerical instability, we replace exponential mapping with an isometric-invariant Riemannian gyrokernel approach and decouple multi-level features onto their respective task-specific manifolds to learn optimal representations. To address manifold deviation, we introduce a manifold-constrained diffusion method and a self-guided strategy for unconditional generation, ensuring that the generated data remains aligned with the manifold signature. Extensive experiments validate the effectiveness of our approach, demonstrating superior performance across a variety of tasks.
Ask about this paper
Your agent reads all of it.
Lune indexed this paper to the last equation, along with the top-tier papers that cite it. Ask a question and the answer quotes them.
Cited by top-tier papers1
Ask how each one uses itBuilds on38
- Denoising Diffusion Probabilistic ModelsJonathan Ho, Ajay Jain, Pieter AbbeelNeurIPS 2020 · 35,902 citations
- Diffusion Models Beat GANs on Image SynthesisPrafulla Dhariwal, Alexander Quinn NicholNeurIPS 2021 · 13,211 citations
- Do Transformers Really Perform Badly for Graph Representation?Chengxuan Ying, Tianle Cai, Shengjie Luo, Shuxin Zheng et al.NeurIPS 2021 · 1,632 citations
- Recipe for a General, Powerful, Scalable Graph TransformerLadislav Rampásek, Michael Galkin, Vijay Prakash Dwivedi, Anh Tuan Luu et al.NeurIPS 2022 · 1,216 citations
- GraphSAINT: Graph Sampling Based Inductive Learning MethodHanqing Zeng, Hongkuan Zhou, Ajitesh Srivastava, Rajgopal Kannan et al.ICLR 2020 · 1,155 citations
Related papers
- Motif-Aware Riemannian Graph Neural Network with Generative-Contrastive LearningLi Sun, Zhenhao Huang, Zixi Wang, Feiyang Wang et al.AAAI 2024
- Latent Graph Inference using Product ManifoldsHaitz Sáez de Ocáriz Borde, Anees Kazi, Federico Barbero, Pietro LiòICLR 2023 · 1 citation
- Manifold Diffusion FieldsAhmed A. A. Elhag, Yuyang Wang, Joshua M. Susskind, Miguel Ángel BautistaICLR 2024 · 11 citations
- GeoDiff: A Geometric Diffusion Model for Molecular Conformation GenerationMinkai Xu, Lantao Yu, Yang Song, Chence Shi et al.ICLR 2022 · 695 citations
- Pseudo-Riemannian Graph Convolutional NetworksBo Xiong, Shichao Zhu, Nico Potyka, Shirui Pan et al.NeurIPS 2022 · 45 citations
