Abstract
We present a Bayesian inference framework for reconstructing anisotropic two-dimensional small-angle scattering (2D SAS) patterns from sparse, noisy, or partially missing data. The method combines a symmetry-aware angular basis with radial Gaussian process priors to enable accurate, training-free interpolation and denoising. Computational benchmarks demonstrate reliable recovery of both isotropic and high-order anisotropic features under severe data reduction. Experimental validations on stretched polymers, sheared wormlike micelles, and carbon fibers show improved fidelity and resolution compared to raw measurements, achieving comparable accuracy with up to 50-fold fewer detected neutrons. This approach enables quantitative structural analysis under low-flux, time-limited, or single-shot conditions, extending the applicability of 2D SAS techniques to compact neutron sources and mechanically driven soft matter systems undergoing transient structural changes.
| Original language | English |
|---|---|
| Article number | 154103 |
| Journal | Journal of Chemical Physics |
| Volume | 163 |
| Issue number | 15 |
| DOIs | |
| State | Published - Oct 21 2025 |
Funding
We extend our sincere gratitude to Thomas Gutberlet, Marina Geneva, James S. Langer, Anton F. Astner, and Kin Cheung for their insightful communications. Research conducted at ORNL’s Spallation Neutron Source and the Center for Nanophase Materials Sciences was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. A portion of this research was supported by the US DOE, Office of Science, Office of Basic Energy Sciences, under the Data, Artificial Intelligence, and Machine Learning at DOE Scientific User Facilities program (Award No. 34532). Y.S. was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC05-00OR22725. G.R.H. was supported by the National Science and Technology Council (NSTC), Taiwan, under Grant Nos. NSTC 111-2112-M-110-021-MY3, NSTC 113-2112-M-029-007, NSTC 113-2112-M-029-008, and NSTC 114-2628-M-007-004-MY4. Beam time was allocated on EQ-SANS under Proposal No. IPTS-19665.1. This work used resources of the National Synchrotron Radiation Research Center (NSRRC). Experiments were performed at TPS 25A1 under Proposal No. 2025-1-422-1. We also acknowledge the technical support provided by NSRRC. R.P.M. acknowledges support from CHRNS, a national user facility jointly funded by the NCNR and the NSF under Agreement No. DMR-2010792. Commercial equipment or software identified in this work does not imply recommendation nor endorsement by NIST.