VLDB 2026 Research / reviewers in the wild / expert
Xiangqi Guo
dblp:430/5223
· DBLP profile ↗
1ranked-venue papers
0as first author
1since 2021 · last 2026
0009-0003-8492-4920ORCID · reported
Domains — the database's venue-derived domains; a paper can count in several
Artificial intelligence and machine learning · 1 · 1 since 2021Graphics, computer vision, multimedia, augmented reality and games · 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 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
graph diffusion model |
1.0 | 1 | 2026 | MoE-Guided Graph Diffusion for Oriented Molecule Design · AAAI 2026 |
Machine learning › Generative modeling › molecular generation
molecular design |
1.0 | 1 | 2026 | MoE-Guided Graph Diffusion for Oriented Molecule Design · AAAI 2026 |
Bioinformatics and computational biology › drug discovery
molecular optimization |
0.3 | 1 | 2026 | MoE-Guided Graph Diffusion for Oriented Molecule Design · AAAI 2026 |
Methods — techniques the papers use, named apart from their topics
reinforcement learning · 2.0mixture of experts · 2.0
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2026 | MoE-Guided Graph Diffusion for Oriented Molecule DesignabstractDesigning molecules with desired properties, aka the oRiented molEcule Design (RED), is a fundamental task in chemistry and materials science. While graph diffusion models (GDMs) and reinforcement learning techniques (RL) show promise in molecule structure generation and property optimization stages individually, their integration in the unified RED task often suffers from poor compatibility. The large variance among candidate molecular structures generated by GDMs can be amplified in the iterative optimization process of RL, leading to slow and unstable convergence. In this work, motivated by the adaptive and divide-and-conquer characteristics of Mixture of Experts (MoE) architecture, we propose a novel framework called MoE-Guided Graph Diffusion Model (MEGD) that incorporates the MoE architecture to guide the orchestration of GDM and RL, promoting faster and more stable convergence in the design process. MEGD is evaluated on benchmark datasets optimizing the physical and chemical properties of AI-generated molecular structures. On all three datasets, our method outperforms the best of 9 alternative models by 7.73% on the target structural properties, while not penalizing other important application-level quality metrics of the generated molecules. A real-world case study on an emerging class of material, i.e., metal-organic framework, is also conducted, which further demonstrates the effectiveness of our method in accomplishing the RED task. Shuochen Li, Xiangqi Guo, Huobin Tan |
AAAI | 2 |