Desmearing Bonse–Hart USANS data using Bayesian Gaussian process regression
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.
Authors
- Yingrui Shang (ORCID: https://orcid.org/0000-0003-0174-3992)
- Yuya Shinohara (ORCID: https://orcid.org/0000-0001-8284-751X)
- Chi-Huan Tung (ORCID: https://orcid.org/0000-0002-2197-2074)
- Guan-Rong Huang (ORCID: https://orcid.org/0000-0001-6393-9574)
- Gernot Rother (ORCID: https://orcid.org/0000-0003-4921-6294)
- Jan-Michael Carrillo (ORCID: https://orcid.org/0000-0001-8774-697X)
- Changwoo Do (ORCID: https://orcid.org/0000-0001-8358-8417)
- Wei-Ren Chen (ORCID: https://orcid.org/0000-0002-5192-0777)
- Tao Zhang (ORCID: https://orcid.org/0000-0002-8750-1435)
- Shabnam J. Semnani (ORCID: https://orcid.org/0000-0001-6635-6905)
- Yangyang Wang (ORCID: https://orcid.org/0000-0001-7042-9804)
Institutions
- Oak Ridge National Laboratory (US)
- The University of Texas at Arlington (US)
- National Tsing Hua University (TW)
- University of California San Diego (US)
Publication Details
- Journal
- The Journal of Chemical Physics
- Published
- 2026-05-22
- DOI
- https://doi.org/10.1063/5.0320684
- Primary Topic
- Nuclear Physics and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Science and Technology Council
- Office of Science