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.

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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

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article

A convergence metric for counting statistics in time-resolved small angle neutron scattering

Yuya Shinohara, Chi-Huan Tung, Guan-Rong Huang, Jan‐Michael Y. Carrillo et al.
1 citations
The Journal of Chemical Physics
Machine Learning in Materials Science
0.52
article

A convergence metric for counting statistics in time-resolved small angle neutron scattering

Yuya Shinohara, Chi-Huan Tung, Guan-Rong Huang, Jan‐Michael Y. Carrillo, Lijie Ding, Changwoo Do, Wei‐Ren Chen
article en
1 citations

Abstract

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.

The Journal of Chemical PhysicsVol. 163(7)
Oak Ridge National Laboratory (US), National Tsing Hua University (TW), National Center for Theoretical Sciences (TW), National Center for Theoretical Sciences, Physics Division
Basic Energy Sciences
Openalex Percentile: Top 35%
Machine Learning in Materials Science
0.52
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A convergence metric for counting statistics in time-resolved small angle neutron scattering — Yuya Shinohara, Chi-Huan Tung, et al. · The Journal of Chemical Physics (2025) | TGRS Research Map | TGRS