Abstract
Hypothesis Small-Angle Neutron Scattering (SANS) is a powerful technique for studying soft matter systems such as colloids, polymers, and lyotropic phases, providing nanoscale structural insights. However, its effectiveness is limited by low neutron flux, leading to long acquisition times and noisy data. We hypothesize that Bayesian statistical inference using Gaussian Process Regression (GPR) can reconstruct high-fidelity scattering data from sparse measurements by leveraging intensity smoothness and continuity. Experiments and Simulations The method was benchmarked computationally and validated through SANS experiments on various soft matter systems, including wormlike micelles, colloidal suspensions, polymeric structures, and lyotropic phases. GPR-based inference was applied to both experimental and synthetic data to evaluate its effectiveness in noise reduction and intensity reconstruction. Findings GPR significantly enhances SANS data quality and therefore reducing measurement times by up to two orders of magnitude. This cost-effective approach maximizes experimental efficiency, enabling high-throughput studies and real-time monitoring of dynamic systems. It is particularly beneficial for weakly scattering and time-sensitive studies. Beyond SANS, this framework applies to other low-SNR techniques, including laboratory-based small-angle X-ray scattering and various dynamical scattering methods. Furthermore, it offers transformative potential for compact neutron sources, enhancing their viability for structural analysis in resource-limited settings.
| Original language | English |
|---|---|
| Article number | 137554 |
| Journal | Journal of Colloid and Interface Science |
| Volume | 692 |
| DOIs | |
| State | Published - Aug 15 2025 |
Funding
We extend our sincere gratitude to Marianne Impéror-Clerc, Su-Yun Huang, Alessio Zaccone, Thomas Gutberlet, James Langer, Vasilly Bulatov, Peter Gumbsch, Kin Cheung, Richard C. Lanza, Gordon E. Kohse, Boris Khaykovich, Pengwen Chen, Zhe Wang, Christoph U. Wildgruber, Jean Bilheux, and Jean-Christophe Bilheux for their insightful communications. This research at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. This research was also supported by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. Beam time was allocated to EQSANS under proposal numbers IPTS-22170.1, 22386.1, 23463.1 and 25953.1. 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. We extend our sincere gratitude to Marianne Impéror-Clerc, Su-Yun Huang, Alessio Zaccone, Thomas Gutberlet, James Langer, Vasilly Bulatov, Peter Gumbsch, Kin Cheung, Richard C. Lanza, Gordon E. Kohse, Boris Khaykovich, Koichi Mayumi, Marcus Foston, Pengwen Chen, Zhe Wang, Christoph U. Wildgruber, Jean Bilheux, and Jean-Christophe Bilheux for their insightful communications. This research at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. This research was also supported by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. Beam time was allocated to EQSANS under proposal numbers IPTS-22170.1, 22386.1, 23463.1 and 25953.1. 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.
Keywords
- Small angle neutron scattering
- Statistical inference
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