EDBT 2026 Demo / reviewers in the wild / expert
Juan Maria Garcia Lastra
dblp:412/7405
· DBLP profile ↗
1ranked-venue papers
0as first author
1since 2021 · last 2025
—ORCID · none
Domains — the database's venue-derived domains; a paper can count in several
Artificial intelligence and machine learning · 1 · 1 since 2021
Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.
| Artificial intelligence
1 paper |
Generative modeling · 100% | |
| Interdisciplinary, comprehensive, and emerging computing
1 paper |
Computational science and engineering · 100% |
Topics — the 3 heaviest of 3, each with the papers that count most for it
| Topic | Weight | Papers | Last | Evidence papers |
|---|---|---|---|---|
Machine learning › Generative modeling
diffusion model |
0.9 | 1 | 2025 | Kinetic Langevin Diffusion for Crystalline Materials Generation · ICML 2025 |
Machine learning › Generative modeling › diffusion model
periodic material generation |
0.9 | 1 | 2025 | Kinetic Langevin Diffusion for Crystalline Materials Generation · ICML 2025 |
Computational science and engineering
materials science |
0.3 | 1 | 2025 | Kinetic Langevin Diffusion for Crystalline Materials Generation · ICML 2025 |
Methods — techniques the papers use, named apart from their topics
trivialized diffusion model · 1.7kinetic langevin diffusion · 1.7
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2025 | Kinetic Langevin Diffusion for Crystalline Materials GenerationabstractGenerative modeling of crystalline materials using diffusion models presents a series of challenges: the data distribution is characterized by inherent symmetries and involves multiple modalities, with some defined on specific manifolds. Notably, the treatment of fractional coordinates representing atomic positions in the unit cell requires careful consideration, as they lie on a hypertorus. In this work, we introduce Kinetic Langevin Diffusion for Materials (KLDM), a novel diffusion model for crystalline materials generation, where the key innovation resides in the modeling of the coordinates. Instead of resorting to Riemannian diffusion on the hypertorus directly, we generalize Trivialized Diffusion Model (TDM) to account for the symmetries inherent to crystals. By coupling coordinates with auxiliary Euclidean variables representing velocities, the diffusion process is now offset to a flat space. This allows us to effectively perform diffusion on the hypertorus while providing a training objective that accounts for the periodic translation symmetry of the true data distribution. We evaluate KLDM on both Crystal Structure Prediction (CSP) and De-novo Generation (DNG) tasks, demonstrating its competitive performance with current state-of-the-art models. François R. J. Cornet, Federico Bergamin, Arghya Bhowmik, Juan Maria Garcia Lastra, Jes Frellsen, Mikkel N. Schmidt |
ICML | 4 |