Toward a Unified Geometry Understanding : Riemannian Diffusion Framework for Graph Generation and Prediction

Qingyun Sun (Beihang University) · Xingcheng Fu (Guangxi Normal University) · Jianxin Li (Beihang University) · Yisen Gao (Hong Kong University of Science and Technology ) · Xianxian LI (Guangxi Normal University)
conditional generationexponential mappinggraph diffusion modelsisometric-invariant riemannian gyrokernelmanifold deviationmanifold signaturesmanifold-constrained diffusionmulti-level featuresnumerical instabilityoptimal representationsriemannian diffusion modelself-guided strategystructured graph datatask-specific manifoldsunconditional generation

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.