Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2604.11311 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866911588459479040 |
|---|---|
| author | Rancati, Dario Maas, Jan Locatello, Francesco |
| author_facet | Rancati, Dario Maas, Jan Locatello, Francesco |
| contents | Diffusion-based models on continuous spaces have seen substantial recent progress through the mathematical framework of gradient flows, leveraging the Wasserstein-2 (${W}_2$) metric via the Jordan-Kinderlehrer-Otto (JKO) scheme. Despite the increasing popularity of diffusion models on discrete spaces using continuous-time Markov chains, a parallel theoretical framework based on gradient flows has remained elusive due to intrinsic challenges in translating the ${W}_2$ distance directly into these settings. In this work, we propose the first computational approach addressing these challenges, leveraging an appropriate metric $W_K$ on the simplex of probability distributions, which enables us to interpret widely used discrete diffusion paths, such as the discrete heat equation, as gradient flows of specific free-energy functionals. Through this theoretical insight, we introduce a novel methodology for learning diffusion dynamics over discrete spaces, which recovers the underlying functional directly by leveraging first-order optimality conditions for the JKO scheme. The resulting method optimizes a simple quadratic loss, trains extremely fast, does not require individual sample trajectories, and only needs a numerical preprocessing computing $W_K$-geodesics. We validate our method through extensive numerical experiments on synthetic data, showing that we can recover the underlying functional for a variety of graph classes. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2604_11311 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Learning Discrete Diffusion of Graphs via Free-Energy Gradient Flows Rancati, Dario Maas, Jan Locatello, Francesco Machine Learning Diffusion-based models on continuous spaces have seen substantial recent progress through the mathematical framework of gradient flows, leveraging the Wasserstein-2 (${W}_2$) metric via the Jordan-Kinderlehrer-Otto (JKO) scheme. Despite the increasing popularity of diffusion models on discrete spaces using continuous-time Markov chains, a parallel theoretical framework based on gradient flows has remained elusive due to intrinsic challenges in translating the ${W}_2$ distance directly into these settings. In this work, we propose the first computational approach addressing these challenges, leveraging an appropriate metric $W_K$ on the simplex of probability distributions, which enables us to interpret widely used discrete diffusion paths, such as the discrete heat equation, as gradient flows of specific free-energy functionals. Through this theoretical insight, we introduce a novel methodology for learning diffusion dynamics over discrete spaces, which recovers the underlying functional directly by leveraging first-order optimality conditions for the JKO scheme. The resulting method optimizes a simple quadratic loss, trains extremely fast, does not require individual sample trajectories, and only needs a numerical preprocessing computing $W_K$-geodesics. We validate our method through extensive numerical experiments on synthetic data, showing that we can recover the underlying functional for a variety of graph classes. |
| title | Learning Discrete Diffusion of Graphs via Free-Energy Gradient Flows |
| topic | Machine Learning |
| url | https://arxiv.org/abs/2604.11311 |