3 papers
cs.LG2026
LongCoT: Benchmarking Long-Horizon Chain-of-Thought Reasoning
Sumeet Ramesh Motwani, Daniel Nichols, Charles London +17
As language models are increasingly deployed for complex autonomous tasks, their ability to reason accurately over longer horizons becomes critical. An essential component of this…
cs.LG2025
BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models
Evan R. Antoniuk, Shehtab Zaman, Tal Ben-Nun +9
Data-driven molecular discovery leverages artificial intelligence/machine learning (AI/ML) and generative modeling to filter and design novel molecules. Discovering novel molecules…
cs.LG2025
Active Learning Enables Extrapolation in Molecular Generative Models
Evan R. Antoniuk, Peggy Li, Nathan Keilbart +3
Although generative models hold promise for discovering molecules with optimized desired properties, they often fail to suggest synthesizable molecules that improve upon the known…