Desmearing Bonse–Hart USANS data using Bayesian Gaussian process regression
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.
Fields of Study & Subjects
Nuclear Physics and Applications
Machine Learning in Materials Science
Enzyme Structure and Function
Publication details
- Journal / source
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Volume
- 164
- Issue
- 20
- Publication date
- 22 May 2026
- Language
- EN