Papers

Optimal spectroscopic measurement design: Bayesian framework for rational data acquisition

This paper proposes optimal experimental design method for spectroscopy measurement by using Bayesian framework. Published in Machine Learning: Science and Technology, 2025.

Rethinking the role of frames for SE(3)-invariant crystal structure modeling

This paper proposes dynamic atom-wise frames aligned with attention-based interatomic interactions on the structure, rather than with the structure itself. Published in ICLR 2025.

Rational partitioning of spectral feature space for effective clustering of massive spectral image data

This paper proposes new clustering method for massive spectral image data. Published in Scientific Reports, 2024.