Bayesian Gaussian process inference for neutron spin echo measurement
Abstract
Neutron spin echo (NSE) spectroscopy provides unique access to microscopic dynamics, but its application is often constrained by low neutron flux, long acquisition times, and significant noise. We present a Bayesian inference approach based on Gaussian process regression (GPR) to reconstruct high-quality spin echo signals from sparse and noisy data by exploiting correlations in reciprocal space. Benchmarks on synthetic datasets and validation with experimental NSE measurements of dendrimers show that GPR suppresses noise, interpolates missing intensity values, and accommodates irregular observations. The method improves accuracy, shortens acquisition times, and enables high-throughput and real-time studies. Beyond NSE, the framework is broadly applicable to other low signal-to-noise ratio scattering techniques, thereby extending the scope of neutron spectroscopy.
Article Details
Journal Info
The Journal of Chemical Physics
American Institute of Physics
Authors (15)
Chi-Huan Tung
Neutron Scattering Division, Oak Ridge National Laboratory 1 , Oak Ridge, Tennessee 37831,
Guan-Rong Huang
Department of Engineering and System Science, National Tsing Hua University 2 , Hsinchu 30013,
Ingo Hoffmann
Institut Laue-Langevin 4 , 71 Avenue des Martyrs, B.P. 156, F-38042 Grenoble Cedex 9,
Péter Falus
Institut Laue-Langevin 4 , 71 Avenue des Martyrs, B.P. 156, F-38042 Grenoble Cedex 9,
Bela Farago
Institut Laue-Langevin 4 , 71 Avenue des Martyrs, B.P. 156, F-38042 Grenoble Cedex 9,
Lionel Porcar
Institut Laue-Langevin
Georg Ehlers
Neutron Technologies Division, Oak Ridge National Laboratory 5 , Oak Ridge, Tennessee 37831,
Yuya Shinohara
Materials Science and Technology Division, Oak Ridge National Laboratory 6 , Oak Ridge, Tennessee 37831,
Jan-Michael Carrillo
Center for Nanophase Materials Sciences, Oak Ridge National Laboratory 3 , Oak Ridge, Tennessee 37831,
Yangyang Wang
Wuya College of Innovation
Sidney Yip
Department of Nuclear Sciences and Engineering, Massachusetts Institute of Technology 8 , Cambridge, Massachusetts 02139,
Piotr Zolnierczuk
Neutron Scattering Division, Oak Ridge National Laboratory 1 , Oak Ridge, Tennessee 37831,
Lijie Ding
Xi’an Jiaotong University , , , ,
Changwoo Do
Neutron Scattering Division
Wei-Ren Chen
Neutron Scattering Division, Oak Ridge National Laboratory 1 , Oak Ridge, Tennessee 37831,