Demo Data from EDBT 2026 / reviewers in the wild / expert
Chetan Rupakheti
dblp:160/9566
· 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 |
Bioinformatics and computational biology · 100% |
Topics — the 4 heaviest of 4, 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 | DMol: A Highly Efficient and Chemical Motif-Preserving Molecule Generation Platform · NeurIPS 2025 |
Machine learning › Generative modeling › diffusion model
graph diffusion model |
0.9 | 1 | 2025 | DMol: A Highly Efficient and Chemical Motif-Preserving Molecule Generation Platform · NeurIPS 2025 |
Machine learning › Generative modeling
molecular generation |
0.9 | 1 | 2025 | DMol: A Highly Efficient and Chemical Motif-Preserving Molecule Generation Platform · NeurIPS 2025 |
Bioinformatics and computational biology
drug discovery |
0.3 | 1 | 2025 | DMol: A Highly Efficient and Chemical Motif-Preserving Molecule Generation Platform · NeurIPS 2025 |
Methods — techniques the papers use, named apart from their topics
motif compression · 1.7graph diffusion · 1.7deterministic and random subgraph perturbations · 1.7
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2025 | DMol: A Highly Efficient and Chemical Motif-Preserving Molecule Generation PlatformabstractWe introduce a new graph diffusion model for small drug molecule generation which simultaneously offers a 10-fold reduction in the number of diffusion steps when compared to existing methods, preservation of small molecule graph motifs via motif compression, and an average 3\% improvement in SMILES validity over the DiGress model across all real-world molecule benchmarking datasets. Furthermore, our approach outperforms the state-of-the-art DeFoG method with respect to motif-conservation by roughly 4\%, as evidenced by high ChEMBL-likeness, QED and newly introduced shingles distance scores. The key ideas behind the approach are to use a combination of deterministic and random subgraph perturbations, so that the node and edge noise schedules are codependent; to modify the loss function of the training process in order to exploit the deterministic component of the schedule; and, to ''compress'' a collection of highly relevant carbon ring and other motif structures into supernodes in a way that allows for simple subsequent integration into the molecular scaffold. Peizhi Niu, Yu-Hsiang Wang, Vishal Rana, Chetan Rupakheti, Olgica Milenkovic |
NeurIPS | 4 |