30 citations · 45 across the 4 of their papers we have counts for
3 papers · 1 filter
PXtal: Learning to Align Powder X-Ray Diffraction and Crystal Structures under Information Asymmetry across Modalities
Zhuoran Yang, Christopher M. Collins, Bei Peng +3
Scientific multimodal learning commonly assumes that paired views are comparably informative. Powder X-ray diffraction (PXRD) makes this mismatch explicit: compressing a three-dime…
Robust blind unmixing: A geometric approach to overcoming basis variation
Dumitru Mirauta, Vladimir V. Gusev, Michael W. Gaultois +2
Signal separation problems are common in science. A prominent example of this occurs during the use of diffraction or spectroscopy to identify the individual components of a mixtur…
MACS: Multi-Agent Reinforcement Learning for Optimization of Crystal Structures
Elena Zamaraeva, Christopher M. Collins, George R. Darling +8
Geometry optimization of atomic structures is a common and crucial task in computational chemistry and materials design. Following the learning to optimize paradigm, we propose a n…