Peggy Li — accepted AI-conference papers

2026

LongCoT: Benchmarking Long-Horizon Chain-of-Thought Reasoning

Sumeet Motwani, Daniel Nichols, Charles London, Peggy Li, Fabio Pizzati, Acer Blake +13

ICML 2026poster

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 ability is planning and managing a long, complex chain-of-thought (CoT). We introduce LongCoT, a scalable benchmark of 2…

Cited by 0 Source ↗Scholar ↗

2025

BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models

Evan R Antoniuk, Shehtab Zaman, Tal Ben-Nun, Peggy Li, James Diffenderfer, Busra Sahin +7

NeurIPS 2025poster

Data-driven molecular discovery leverages artificial intelligence/machine learning (AI/ML) and generative modeling to filter and design novel molecules. Discovering novel molecules requires accurate out-of-distribution (OOD) predictions, but ML models struggle to generalize OOD. Currently, no system…

Cited by 10 Source ↗code ↗Scholar ↗