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2020 – today
- 2024
[j1]Hatem Helal, Jesun Firoz, Jenna A. Bilbrey, Henry Sprueill, Kristina M. Herman
, Mario Michael Krell, Tom Murray, Manuel Lopez Roldan, Mike Kraus, Ang Li, Payel Das, Sotiris S. Xantheas, Sutanay Choudhury:
Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units. J. Chem. Inf. Model. 64(5): 1568-1580 (2024)- [c2]Henry W. Sprueill, Carl Edwards, Khushbu Agarwal, Mariefel V. Olarte, Udishnu Sanyal, Conrad Johnston, Hongbin Liu, Heng Ji, Sutanay Choudhury:
CHEMREASONER: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback. ICML 2024 - [i3]Henry W. Sprueill, Carl Edwards, Khushbu Agarwal, Mariefel V. Olarte, Udishnu Sanyal, Conrad Johnston, Hongbin Liu, Heng Ji, Sutanay Choudhury:
ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback. CoRR abs/2402.10980 (2024) - 2023
- [c1]Henry Sprueill, Carl Edwards, Mariefel V. Olarte, Udishnu Sanyal, Heng Ji, Sutanay Choudhury:
Monte Carlo Thought Search: Large Language Model Querying for Complex Scientific Reasoning in Catalyst Design. EMNLP (Findings) 2023: 8348-8365 - [i2]Henry W. Sprueill, Carl Edwards, Mariefel V. Olarte, Udishnu Sanyal, Heng Ji, Sutanay Choudhury:
Monte Carlo Thought Search: Large Language Model Querying for Complex Scientific Reasoning in Catalyst Design. CoRR abs/2310.14420 (2023) - 2022
- [i1]Jenna A. Bilbrey, Kristina M. Herman, Henry Sprueill, Sotiris S. Xantheas, Payel Das, Manuel Lopez Roldan, Mike Kraus, Hatem Helal, Sutanay Choudhury:
Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous AI Accelerators. CoRR abs/2211.04598 (2022)
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