3 papers
cs.LG2023
AdsorbRL: Deep Multi-Objective Reinforcement Learning for Inverse Catalysts Design
Romain Lacombe, Lucas Hendren, Khalid El-Awady
A central challenge of the clean energy transition is the development of catalysts for low-emissions technologies. Recent advances in Machine Learning for quantum chemistry drastic…
cs.LG2023
Extracting Molecular Properties from Natural Language with Multimodal Contrastive Learning
Romain Lacombe, Andrew Gaut, Jeff He +2
Deep learning in computational biochemistry has traditionally focused on molecular graphs neural representations; however, recent advances in language models highlight how much sci…
cs.CV2023
Improving extreme weather events detection with light-weight neural networks
Romain Lacombe, Hannah Grossman, Lucas Hendren +1
To advance automated detection of extreme weather events, which are increasing in frequency and intensity with climate change, we explore modifications to a novel light-weight Cont…