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DOE OSTI · 3740802

Optimal binning of correlated measurements

Abstract

Experimental measurements are commonly represented on a discrete grid, requiring a balance between granularity and statistical noise. Two strategies have traditionally been used to improve such representations: selecting an appropriate bin width to control discretization error and applying kernel-based smoothing to suppress fluctuations. Despite their shared goal, these approaches have largely developed independently, without a unified statistical description of how discretization and correlation jointly determine measurement precision. Here, we extend the discussion of optimal interval averaging to a correlation-aware setting by Gaussian process regression, which explicitly accounts for correlations among neighboring bins. Starting from first principles, we derive the mean-squared error of discretized measurements and obtain closed-form asymptotic expressions for the optimal bin width and correlation length. When recast in reduced variables, the theory reveals distinct universal scaling laws governing the error in the correlation-free and correlation-controlled regimes. Characterized by intrinsically smooth intensity profiles and counting-based statistics, neutron scattering measurements are well suited for demonstrating the enhanced error contraction enabled by inter-bin correlations. We show that such improvement is achievable over the experimentally accessible Q-range and across multiple instruments and material systems. These results show that explicitly accounting for correlations systematically reshapes the limits of precision in discretized, noise-limited measurements. More broadly, the framework provides a transferable statistical foundation for optimizing data representation, inference, and experimental design across the physical and data sciences.

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Tung, Chi-Huan [ORNL] (ORCID:0000000221972074), Do, Changwoo [ORNL] (ORCID:0000000183588417), Ding, Lijie [ORNL] (ORCID:0000000227454606), Wang, Yangyang [ORNL] (ORCID:0000000170429804), Carrillo, Jan Michael [ORNL] (ORCID:000000018774697X), Shinohara, Yuya [ORNL] (ORCID:000000018284751X), Porcar, Lionel [Institut Laue-Langevin (ILL)], Donghui, Zhang [Louisiana State University], Huang, Guan-Rong [National Tsing Hua University, Taiwan], Yip, Sidney [Massachusetts Institute of Technology (MIT)], Chen, Wei-Ren [ORNL] (ORCID:0000000251920777). 2026-09-01. Optimal binning of correlated measurements. https://doi.org/10.1063/5.0334764

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