VLDB 2026 Research / reviewers in the wild / expert
Bangji Yang
dblp:408/5366
· 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.
| Interdisciplinary, comprehensive, and emerging computing
1 paper |
Bioinformatics and computational biology · 87% Computational science and engineering · 13% | |
| Artificial intelligence
1 paper |
Generative modeling · 100% |
Topics — the 5 heaviest of 6, 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 | Simultaneous Modeling of Protein Conformation and Dynamics via Autoregression · NeurIPS 2025 |
Machine learning › Generative modeling › diffusion model › geometric diffusion model
SE(3) diffusion model |
0.9 | 1 | 2025 | Simultaneous Modeling of Protein Conformation and Dynamics via Autoregression · NeurIPS 2025 |
Bioinformatics and computational biology › structural bioinformatics › protein conformational analysis
protein conformation generation |
0.9 | 1 | 2025 | Simultaneous Modeling of Protein Conformation and Dynamics via Autoregression · NeurIPS 2025 |
Bioinformatics and computational biology › structural biology › protein structure and function
protein structure and dynamics |
0.9 | 1 | 2025 | Simultaneous Modeling of Protein Conformation and Dynamics via Autoregression · NeurIPS 2025 |
Computational science and engineering › computational chemistry › molecular simulation
molecular dynamics |
0.3 | 1 | 2025 | Simultaneous Modeling of Protein Conformation and Dynamics via Autoregression · NeurIPS 2025 |
Methods — techniques the papers use, named apart from their topics
transformer · 1.7diffusion model · 1.7autoregressive model · 1.7
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2025 | Simultaneous Modeling of Protein Conformation and Dynamics via AutoregressionabstractUnderstanding protein dynamics is critical for elucidating their biological functions.
The increasing availability of molecular dynamics (MD) data enables the training of deep generative models to efficiently explore the conformational space of proteins.
However, existing approaches either fail to explicitly capture the temporal dependencies between conformations or do not support direct generation of time-independent samples.
To address these limitations, we introduce *ConfRover*, an autoregressive model that simultaneously learns protein conformation and dynamics from MD trajectory data, supporting both time-dependent and time-independent sampling.
At the core of our model is a modular architecture comprising: (i) an *encoding layer*, adapted from protein folding models, that embeds protein-specific information and conformation at each time frame into a latent space; (ii) a *temporal module*, a sequence model that captures conformational dynamics across frames; and (iii) an SE(3) diffusion model as the *structure decoder*, generating conformations in continuous space.
Experiments on ATLAS, a large-scale protein MD dataset of diverse structures, demonstrate the effectiveness of our model in learning conformational dynamics and supporting a wide range of downstream tasks.
*ConfRover* is the first model to sample both protein conformations and trajectories within a single framework, offering a novel and flexible approach for learning from protein MD data. Yuning Shen, Huizhuo Yuan, Bangji Yang, Quanquan Gu |
NeurIPS | 5 |