AutoGraph: Imperative-style Coding with Graph-based Performance. - Dan Moldovan; James M. Decker; Fei Wang 046; Andrew A. Johnson 002; Brian K. Lee; Zachary Nado; D. Sculley; Tiark Rompf; Alexander B. Wiltschko (SysML, 2019)

Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules. - Benjamín Sánchez-Lengeling; Jennifer N. Wei; Brian K. Lee; Richard C. Gerkin; Alán Aspuru-Guzik; Alexander B. Wiltschko (CoRR, 2019)

Evaluating Attribution for Graph Neural Networks. - Benjamín Sánchez-Lengeling; Jennifer N. Wei; Brian K. Lee; Emily Reif; Peter Wang; Wesley Wei Qian; Kevin McCloskey; Lucy J. Colwell; Alexander B. Wiltschko (NeurIPS, 2020)

From Molecules to Mixtures: Learning Representations of Olfactory Mixture Similarity using Inductive Biases. - Gary Tom; Cher Tian Ser; Ella M. Rajaonson; Stanley Lo; Hyun Suk Park; Brian K. Lee; Benjamín Sánchez-Lengeling (CoRR, 2025)