- 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.