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Bayesian experimental design and parameter estimation for ultrafast spin dynamics

delete2023-12-18
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OA
AI
Z
Zhantao Chen
P
Peng Cheng
A
Alexander N. Petsch
S
Sathya R. Chitturi
S
Sugata Chowdhury
C
Chun Hong Yoon
J
Joshua J. Turner *
DOI:10.1088/2632-2153/ad113adelete
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Abstract

Abstract

En 中文
Advanced experimental measurements are crucial for driving theoretical developments and unveiling novel phenomena in condensed matter and materials physics, which often suffer from the scarcity of large-scale facility resources, such as x-ray or neutron scattering centers. To address these limitations, we introduce a methodology that leverages the Bayesian optimal experimental design paradigm to efficiently uncover key quantum spin fluctuation parameters from x-ray photon fluctuation spectroscopy (XPFS) data. Our method is compatible with existing theoretical simulation pipelines and can also be used in combination with fast machine learning surrogate models in the event that real-time simulations are unfeasible. Our numerical benchmarks demonstrate the superior performance in predicting model parameters and in delivering more informative measurements within limited experimental time. Our method can be adapted to many different types of experiments beyond XPFS and spin fluctuation studies, facilitating more efficient data collection and accelerating scientific discoveries.
Keywords:
machine learning
Bayesian experimental design
ultrafast x-ray scattering
parameter estimation
spin fluctuations

Journal

M
Machine Learning-Science and Technology
IF:
4.6
Papers:
1.1K
Citations:
3.4K

Organization

S
Stanford University
Scholars:
9.6W
Papers: 8.2W
Citations: 17.0W
S
SLAC National Accelerator Laboratory
Scholars:
4.2K
Papers: 2.5K
Citations: 1.7W