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.
Article Details
Journal Info
The Journal of Chemical Physics
American Institute of Physics
Authors (11)
Chi-Huan Tung
Neutron Scattering Division, Oak Ridge National Laboratory 1 , Oak Ridge, Tennessee 37831,
Guan-Rong Huang
Department of Engineering and System Science, National Tsing Hua University 2 , Hsinchu 30013,
Yingrui Shang
Neutron Scattering Division, Oak Ridge National Laboratory 1 , Oak Ridge, Tennessee 37831,
Gernot Rother
Neutron Scattering Division, Oak Ridge National Laboratory 1 , Oak Ridge, Tennessee 37831,
Changwoo Do
Neutron Scattering Division
Yangyang Wang
Wuya College of Innovation
Jan-Michael Carrillo
Center for Nanophase Materials Sciences, Oak Ridge National Laboratory 3 , Oak Ridge, Tennessee 37831,
Shabnam J. Semnani
Department of Structural Engineering, University of California, San Diego 4 , La Jolla, California 92093,
Tao Zhang
Yuya Shinohara
Materials Science and Technology Division, Oak Ridge National Laboratory 6 , Oak Ridge, Tennessee 37831,
Wei-Ren Chen
Neutron Scattering Division, Oak Ridge National Laboratory 1 , Oak Ridge, Tennessee 37831,