2 papers
cs.LG2025
Censoring chemical data to mitigate dual use risk
Quintina L. Campbell, Jonathan Herington, Andrew D. White
Machine learning models have dual-use potential, potentially serving both beneficial and malicious purposes. The development of open-source models in chemistry has specifically sur…
physics.chem-ph2025
Bayesian Optimization of Catalysis With In-Context Learning
Mayk Caldas Ramos, Shane S. Michtavy, Marc D. Porosoff +1
Large language models (LLMs) can perform accurate classification with zero or few examples through in-context learning. We extend this capability to regression with uncertainty est…