Information-geometric adaptive sampling for graph diffusion
On the map: Diffusion models → Flow matching, time series and science
Abstract (arXiv)
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
Key facts. No citing papers in the map yet (data through 7 Oct 2026). Placed in Flow matching, time series and science, one of 14 directions in Diffusion models. Builds on 36 of its 53 references that are in the map. First posted on arXiv 30 Apr 2026.
Builds on
36 of 53 references.
Closest ancestors · 6
Same direction, newest first
- 2024DeFoG: Discrete Flow Matching for Graph Generation5 Oct
- 2022DiGress: Discrete Denoising diffusion for graph generation29 Sep
- 2022Equivariant Diffusion for Molecule Generation in 3D31 Mar
- 2022GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation6 Mar
- 2022Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations5 Feb
- 2020Permutation Invariant Graph Generation via Score-Based Generative Modeling2 Mar
Other references · 30
- 2020Denoising Diffusion Probabilistic Modelscited by 20,851
- 2016Semi-Supervised Classification with Graph Convolutional Networkscited by 11,282
- 2020Denoising Diffusion Implicit Modelscited by 9,655
- 2020Score-Based Generative Modeling through Stochastic Differential Equationscited by 8,964
- 2019Generative Modeling by Estimating Gradients of the Data Distributioncited by 4,067
- 2022Elucidating the Design Space of Diffusion-Based Generative Modelscited by 2,994
- 2022DPM-Solver: A Fast ODE Solver for Diffusion Probabilistic Model Sampling in Around 10 Stepscited by 1,961
- 2021Diffusion Schr"odinger Bridge with Applications to Score-Based Generative Modelingcited by 594
- 2022Fast Sampling of Diffusion Models with Exponential Integratorcited by 526
- 2022Analytic-DPM: an Analytic Estimate of the Optimal Reverse Variance in Diffusion Probabilistic Modelscited by 331
- 2020GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generationcited by 301
- 2021Likelihood Training of Schr"odinger Bridge using Forward-Backward SDEs Theorycited by 216
18 more
- 2018Fr'echet ChemNet Distance: A metric for generative models for molecules in drug discoverycited by 191
- 2022Learning Fast Samplers for Diffusion Models by Differentiating Through Sample Qualitycited by 181
- 2021GraphDF: A Discrete Flow Model for Molecular Graph Generationcited by 177
- 2021On Fast Sampling of Diffusion Probabilistic Modelscited by 170
- 2018Graphite: Iterative Generative Modeling of Graphscited by 112
- 2017Fisher-Rao Metric, Geometry, and Complexity of Neural Networkscited by 99
- 2022SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generatorscited by 96
- 2024Align Your Steps: Optimizing Sampling Schedules in Diffusion Modelscited by 91
- 2022Equivariant Energy-Guided SDE for Inverse Molecular Designcited by 72
- 2023Alleviating Exposure Bias in Diffusion Models through Sampling with Shifted Time Stepscited by 71
- 2024Accelerating Diffusion Sampling with Optimized Time Stepscited by 67
- 2023Graph Generation with Diffusion Mixturecited by 52
- 2024On the Trajectory Regularity of ODE-based Diffusion Samplingcited by 51
- 2019GraphVite: A High-Performance CPU-GPU Hybrid System for Node Embeddingcited by 40
- 2024textitJump Your Steps: Optimizing Sampling Schedule of Discrete Diffusion Modelscited by 40
- 2024Learning to Discretize Denoising Diffusion ODEscited by 39
- 2022Denoising MCMC for Accelerating Diffusion-Based Generative Modelscited by 13
- 2024Molecular relaxation by reverse diffusion with time step predictioncited by 9
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- 2026The information geometry of product-reference discrete diffusion: Interaction growth complexity and optimal scheduling
- 2023Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation
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