Efficient, Interpretable Atomistic Graph Neural Network Representation for Angle-dependent Properties and its Application to Optical Spectroscopy Prediction. - Tim Hsu; Nathan Keilbart; Stephen Weitzner; James Chapman 005; Penghao Xiao; Tuan Anh Pham; S. Roger Qiu; Xiao Chen; Brandon C. Wood (CoRR, 2021)

Score-based denoising for atomic structure identification. - Tim Hsu; Babak Sadigh; Nicolas Bertin; Cheol Woo Park; James Chapman 005; Vasily V. Bulatov; Fei Zhou 002 (CoRR, 2022)

Spectroscopy-Guided Discovery of Three-Dimensional Structures of Disordered Materials with Diffusion Models. - Hyuna Kwon; Tim Hsu; Wenyu Sun; Wonseok Jeong; Fikret Aydin; James Chapman 005; Xiao Chen; Matthew R. Carbone; Deyu Lu; Fei Zhou 002; Tuan Anh Pham (CoRR, 2023)

Spectroscopy-guided discovery of three-dimensional structures of disordered materials with diffusion models. - Hyuna Kwon; Tim Hsu; Wenyu Sun; Wonseok Jeong; Fikret Aydin; James Chapman 005; Xiao Chen; Vincenzo Lordi; Matthew R. Carbone; Deyu Lu; Fei Zhou 002; Tuan Anh Pham (Mach. Learn. Sci. Technol., 2024)