June 2026

Journal

Desmearing Bonse–Hart USANS Data Using Bayesian Gaussian Process Regression

By:
Tung, Chi-Huan ; Huang, Guan-Rong; Shang, Yingrui ; Rother, Gernot ; Do, Changwoo ; Wang, Yangyang ; Carrillo, Jan Michael Y; Semnani, Shabnam; Zhang, Tao; Shinohara, Yuya ; Chen, Wei-Ren
Journal Name:
The Journal of Chemical Physics
Page Number:
204102
Volume:
164
Publication Date:
June 2, 2026
View DOI Listing:
https://doi.org/10.1063/5.0320684

Abstract

Ultra-small-angle neutron scattering (USANS) enables access to micrometer-scale structures but is intrinsically affected by strong, anisotropic resolution smearing arising from slit-geometry optics. As a result, recovery of the intrinsic scattering intensity constitutes an ill-posed inverse problem, and commonly used iterative desmearing methods lack rigorous uncertainty quantification. We present a Bayesian desmearing framework for slit-geometry USANS based on Gaussian process regression. In this approach, the scattering intensity is modeled as a smooth random function, and the instrumental point spread function is incorporated explicitly as a forward operator. The resulting formulation yields a closed-form maximum a posteriori solution with well-defined credibility intervals. Computational benchmarks and experimental validation using combined USANS and small-angle neutron scattering (SANS) measurements demonstrate that the framework enables stable desmearing, suppresses experimental noise, and preserves physically meaningful structural features under realistic conditions.