Demo Data from EDBT 2026 / reviewers in the wild / expert
Christopher M. Collins 0003
dblp:362/0754
· 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 |
Reinforcement learning · 100% | |
| Theoretical computer science
1 paper |
Mathematical optimization · 100% | |
| Interdisciplinary, comprehensive, and emerging computing
1 paper |
Computational science and engineering · 100% |
Topics — the 5 heaviest of 5, each with the papers that count most for it
| Topic | Weight | Papers | Last | Evidence papers |
|---|---|---|---|---|
Machine learning › Reinforcement learning › multi-agent reinforcement learning
cooperative multi-agent reinforcement learning |
0.9 | 1 | 2025 | MACS: Multi-Agent Reinforcement Learning for Optimization of Crystal Structures · NeurIPS 2025 |
Machine learning › Reinforcement learning
multi-agent reinforcement learning |
0.9 | 1 | 2025 | MACS: Multi-Agent Reinforcement Learning for Optimization of Crystal Structures · NeurIPS 2025 |
Mathematical optimization
combinatorial optimization |
0.9 | 1 | 2025 | MACS: Multi-Agent Reinforcement Learning for Optimization of Crystal Structures · NeurIPS 2025 |
Computational science and engineering
computational chemistry |
0.3 | 1 | 2025 | MACS: Multi-Agent Reinforcement Learning for Optimization of Crystal Structures · NeurIPS 2025 |
Computational science and engineering › materials science
materials design |
0.3 | 1 | 2025 | MACS: Multi-Agent Reinforcement Learning for Optimization of Crystal Structures · NeurIPS 2025 |
Methods — techniques the papers use, named apart from their topics
partially observable markov game · 2.6multi-agent reinforcement learning · 2.6
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2025 | MACS: Multi-Agent Reinforcement Learning for Optimization of Crystal StructuresabstractGeometry optimization of atomic structures is a common and crucial task in computational chemistry and materials design. Following the learning to optimize paradigm, we propose a new multi-agent reinforcement learning method called Multi-Agent Crystal Structure optimization (MACS) to address the problem of periodic crystal structure optimization. MACS treats geometry optimization as a partially observable Markov game in which atoms are agents that adjust their positions to collectively discover a stable configuration. We train MACS across various compositions of reported crystalline materials to obtain a policy that successfully optimizes structures from the training compositions as well as structures of larger sizes and unseen compositions, confirming its excellent scalability and zero-shot transferability. We benchmark our approach against a broad range of state-of-the-art optimization methods and demonstrate that MACS optimizes periodic crystal structures significantly faster, with fewer energy calculations, and the lowest failure rate. Elena Zamaraeva, Christopher M. Collins 0003, George R. Darling, Matthew S. Dyer, Rahul Savani, Dmytro Antypov, Vladimir V. Gusev, Judith Clymo, Paul G. Spirakis, Matthew J. Rosseinsky |
NeurIPS | 2 |