3 papers
cs.AI2026
The Future of Artificial Intelligence and the Mathematical and Physical Sciences (AI+MPS)
Andrew Ferguson, Marisa LaFleur, Lars Ruthotto +97
This community paper developed out of the NSF Workshop on the Future of Artificial Intelligence (AI) and the Mathematical and Physics Sciences (MPS), which was held in March 2025 w…
cs.LG2025
Honegumi: An Interface for Accelerating the Adoption of Bayesian Optimization in the Experimental Sciences
Sterling G. Baird, Andrew R. Falkowski, Taylor D. Sparks
Bayesian optimization (BO) has emerged as a powerful tool for guiding experimental design and decision-making in various scientific fields, including materials science, chemistry,…
cs.LG2025
Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Yoel Zimmermann, Adib Bazgir, Zartashia Afzal +141
Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hyb…