VLDB 2026 Research / reviewers in the wild / expert
Aron Walsh
dblp:40/11273
· DBLP profile ↗
2ranked-venue papers
0as first author
2since 2021 · last 2025
0000-0001-5460-7033ORCID · verified
Domains — the database's venue-derived domains; a paper can count in several
Artificial intelligence and machine learning · 2 · 2 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 |
Computational science and engineering · 100% | |
| Computer architecture, parallel and distributed computing, and storage systems
1 paper |
Performance modeling and evaluation · 100% |
Topics — the 2 heaviest of 3, each with the papers that count most for it
| Topic | Weight | Papers | Last | Evidence papers |
|---|---|---|---|---|
Computational science and engineering › model simulation › atomistic simulation
machine learning interatomic potential |
0.9 | 1 | 2025 | MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform · NeurIPS 2025 |
Performance modeling and evaluation
benchmarking |
0.9 | 1 | 2025 | MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform · NeurIPS 2025 |
Methods — techniques the papers use, named apart from their topics
force field evaluation · 1.7density functional theory · 1.7
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2025 | MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark PlatformabstractMachine learning interatomic potentials (MLIPs) have revolutionized molecular and materials modeling, but existing benchmarks suffer from data leakage, limited transferability, and an over-reliance on error-based metrics tied to specific density functional theory (DFT) references. We introduce MLIP Arena, a benchmark platform that evaluates force field performance based on physics awareness, chemical reactivity, stability under extreme conditions, and predictive capabilities for thermodynamic properties and physical phenomena. By moving beyond static DFT references and revealing the important failure modes of current foundation MLIPs in real-world settings, MLIP Arena provides a reproducible framework to guide the next-generation MLIP development toward improved predictive accuracy and runtime efficiency while maintaining physical consistency. The Python package and online leaderboard are available at https://github.com/atomind-ai/mlip-arena. Yuan Chiang, Tobias Kreiman, Christine Zhang, Matthew C. Kuner, Elizabeth Weaver, Ishan Amin, Hyunsoo Park, Yunsung Lim, Jihan Kim, Daryl Chrzan, Aron Walsh, Samuel M. Blau, Mark Asta, Aditi S. Krishnapriyan |
NeurIPS | 11 |
| 2024 | Multi-Objective Quality-Diversity for Crystal Structure PredictionabstractCrystal structures are indispensable across various domains, from batteries to solar cells, and extensive research has been dedicated to predicting their properties based on their atomic configurations. However, prevailing Crystal Structure Prediction methods focus on identifying the most stable solutions that lie at the global minimum of the energy function. This approach overlooks other potentially interesting materials that lie in neighbouring local minima and have different material properties such as conductivity or resistance to deformation. By contrast, Quality-Diversity algorithms provide a promising avenue for Crystal Structure Prediction as they aim to find a collection of high-performing solutions that have diverse characteristics. However, it may also be valuable to optimise for the stability of crystal structures alongside other objectives such as magnetism or thermoelectric efficiency. Therefore, in this work, we harness the power of Multi-Objective Quality-Diversity algorithms in order to find crystal structures which have diverse features and achieve different trade-offs of objectives. We analyse our approach on 5 crystal systems and demonstrate that it is not only able to re-discover known real-life structures, but also find promising new ones. Moreover, we propose a method for illuminating the objective space to gain an understanding of what trade-offs can be achieved. Hannah Janmohamed, Marta Wolinska, Shikha Surana, Thomas Pierrot, Aron Walsh, Antoine Cully |
GECCO | 5 |