VLDB 2026 Research / reviewers in the wild / expert
Peining Zhang
dblp:329/3822
· DBLP profile ↗
1ranked-venue papers
1as first author
1since 2021 · last 2026
—ORCID · none
Domains — the database's venue-derived domains; a paper can count in several
Artificial intelligence and machine learning · 1 · 1 first-author · 1 since 2021Graphics, computer vision, multimedia, augmented reality and games · 1 · 1 first-author · 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 3 heaviest of 3, each with the papers that count most for it
| Topic | Weight | Papers | Last | Evidence papers |
|---|---|---|---|---|
Machine learning › Generative modeling › molecular generation
3d molecule generation |
1.0 | 1 | 2026 | VEDA: Generation of 3D Molecules via Variance-Exploding Diffusion with Annealing · AAAI 2026 |
Machine learning › Generative modeling
diffusion model |
1.0 | 1 | 2026 | VEDA: Generation of 3D Molecules via Variance-Exploding Diffusion with Annealing · AAAI 2026 |
Bioinformatics and computational biology
molecular conformation |
0.3 | 1 | 2026 | VEDA: Generation of 3D Molecules via Variance-Exploding Diffusion with Annealing · AAAI 2026 |
Methods — techniques the papers use, named apart from their topics
preconditioning · 2.0annealing schedule · 2.0SE(3)-equivariant network · 2.0
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2026 | VEDA: Generation of 3D Molecules via Variance-Exploding Diffusion with AnnealingabstractDiffusion models show promise for 3D molecular generation, but face a fundamental trade-off between sampling efficiency and conformational accuracy. While flow-based models are fast, they often produce geometrically inaccurate structures, as they have difficulty capturing the multimodal distributions of molecular conformations. In contrast, denoising diffusion models are more accurate but suffer from slow sampling, a limitation attributed to sub-optimal integration between diffusion dynamics and SE(3)‑equivariant architectures. To address this, we propose VEDA, a unified SE(3)-equivariant framework that combines variance-exploding diffusion with annealing to efficiently generate conformationally accurate 3D molecular structures. Specifically, our key technical contributions include: (1) a VE schedule that enables noise injection functionally analogous to simulated annealing, improving 3D accuracy and reducing relaxation energy; (2) a novel preconditioning scheme that reconciles the coordinate-predicting nature of SE(3)-equivariant networks with a residual-based diffusion objective, and (3) a new arcsin-based scheduler that concentrates sampling in critical intervals of the logarithmic signal-to-noise ratio. On the QM9 and GEOM-DRUGS datasets, VEDA matches the sampling efficiency of flow-based models, achieving state-of-the-art valency stability and validity with only 100 sampling steps. More importantly, VEDA's generated structures are remarkably stable, as measured by their relaxation energy (Delta E_relax) during GFN2-xTB optimization. The median energy change is only 1.72kcal/mol, significantly lower than the 32.3kcal/mol from its architectural baseline, SemlaFlow. Our framework demonstrates that principled integration of VE diffusion with SE(3)-equivariant architectures can achieve both high chemical accuracy and computational efficiency. Peining Zhang, Jinbo Bi, Minghu Song |
AAAI | 1 |