Information-geometric adaptive sampling for graph diffusion
About
Standard diffusion models for graph generation typically rely on uniform time-stepping, an approach that overlooks the non-homogeneous dynamics of distributional evolution on complex manifolds. In this paper, we present an information-geometric framework that reinterprets the diffusion sampling trajectory as a parametric curve on a Riemannian manifold. Our key observation is that the Fisher-Rao metric provides a principled measure of the intrinsic distance. By analyzing this metric, we derive the Drift Variation Score (DVS), a geometry-aware indicator that quantifies the instantaneous rate of distributional change. Unlike prior heuristic-based adaptive samplers, our DVS solver enforces a constant informational speed on the statistical manifold, automatically maintaining a uniform rate of distributional change along the sampling trajectory. This equal arc-length strategy ensures that each discretization step contributes equally to the information speed. Theoretical analysis verifies that DVS characterizes the local stiffness of the sampling dynamics in the Fisher-Rao sense. Experimental results on molecule and social network generation show that DVS significantly improves structural fidelity and sampling efficiency. Code is at https://github.com/kunzhan/DVS
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Molecular Generation | ZINC250k (test) | Validity98.51 | 32 | |
| Graph generation | Planar | Degree Distribution1.00e-4 | 16 | |
| Graph generation | SBM | Clustering Coefficient0.0482 | 10 | |
| Molecule Generation | QM9 (test) | Validity99.55 | 6 |