A convergence metric for counting statistics in time-resolved small angle neutron scattering
This work introduces a model-independent, dimensionless metric for predicting optimal measurement duration in time-resolved small-angle neutron scattering using early-time data. Built on a Gaussian process regression framework, the method reconstructs scattering profiles with quantified uncertainty, even from sparse or noisy measurements. Demonstrated on the EQ-SANS instrument at the Spallation Neutron Source, the approach generalizes to general SANS instruments with a two-dimensional detector. A key result is the discovery of a dimensionless convergence metric revealing a universal power-law scaling in profile evolution across soft matter systems. When time is normalized by a system-specific characteristic time t*, the variation in inferred profiles collapses onto a single curve with an exponent between -2 and -1. This trend emerges within the first ten time steps, enabling early prediction of measurement sufficiency. The method supports real-time experimental optimization and is especially valuable for maximizing efficiency in low-flux environments such as compact accelerator-based neutron sources.
Authors
- 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)
- Jan‐Michael Y. Carrillo (ORCID: https://orcid.org/0000-0001-8774-697X)
- Lijie Ding (ORCID: https://orcid.org/0000-0002-2745-4606)
- Changwoo Do (ORCID: https://orcid.org/0000-0001-8358-8417)
- Wei‐Ren Chen (ORCID: https://orcid.org/0000-0002-5192-0777)
Institutions
- Oak Ridge National Laboratory (US)
- National Tsing Hua University (TW)
- National Center for Theoretical Sciences (TW)
- National Center for Theoretical Sciences, Physics Division
Publication Details
- Journal
- The Journal of Chemical Physics
- Published
- 2025-08-15
- DOI
- https://doi.org/10.1063/5.0281134
- Citations
- 1
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 0.52
Funders
- Basic Energy Sciences