DOE OSTI · 3010621
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. Here, 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.
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Tung, Chi-Huan [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000221972074), Huang, Guan-Rong [National Tsing Hua Univ., Hsinchu (Taiwan); National Center for Theoretical Sciences (NCTS), Taipei (Taiwan)] (ORCID:0000000163939574), Hoffmann, Ingo [Inst. Laue-Langevin (ILL), Grenoble (France)] (ORCID:0000000171786467), Falus, Péter [Inst. Laue-Langevin (ILL), Grenoble (France)] (ORCID:0000000202926750), Farago, Bela [Inst. Laue-Langevin (ILL), Grenoble (France)] (ORCID:0000000246510044), Porcar, Lionel [Inst. Laue-Langevin (ILL), Grenoble (France)], Ehlers, Georg [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000033513508X), Shinohara, Yuya [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000018284751X), Carrillo, Jan-Michael [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:000000018774697X), Wang, Yangyang [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000170429804), Yip, Sidney [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)] (ORCID:0000000227270137), Zolnierczuk, Piotr [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000182550935), Ding, Lijie [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000227454606), Do, Changwoo [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000183588417), Chen, Wei-Ren [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000251920777). 2025-12-15. Bayesian Gaussian process inference for neutron spin echo measurement. https://doi.org/10.1063/5.0301962
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