化学性线性数据阵列分析的新型性线性分解算法

IF 2.1 4区 化学 Q1 SOCIAL WORK
Yue-Yue Chang, Qiu-Na Shi, Tong Wang, Hai-Long Wu, Ru-Qin Yu
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引用次数: 0

摘要

随着分析仪器的发展越来越高速和复杂,获取超高速化学数据并探索其分析方法是一项非常重要和有意义的工作。本文提出了一种新颖、优良的六向算法组合方法(six-way ACM)。此外,还首次获得并构建了一个真正具有化学意义的超高速公路性线性数据阵列。所提出的六向数据阵列具有高度共线性,这在一定程度上对该数据阵列的解析提出了更高的要求。为了验证所提算法的可行性,对上述真实的性线性六向数据阵列和一系列不同噪声水平的模拟六向数据阵列进行了分析。实际数据和仿真数据的结果表明,所提出的方法可以很好地用于六向数据阵列的分析,并且具有对过多分量不敏感、收敛速度快、适用于高共线性和高噪声数据等优异的性能。与三路、四路和五路校准方法相比,六路ACM具有更高的灵敏度、检测下限和定量下限,结果更加稳定准确,具有突出的“高阶优势”和更好的处理共线性问题的能力。本工作不仅为未来可能出现的高阶仪器提供了数据分析方法,而且为高阶张量代数的理论研究提供了真实的数据支持和方法参考。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Novel Sexalinear Decomposition Algorithm for Analyzing the Chemical Sexalinear Data Array

With the development of analytical instrument towards more and more high-way and complex, it is very important and meaningful work to obtain ultra-high-way chemical data and explore its analytical methods. In this paper, a novel and excellent six-way algorithm combination method (six-way ACM) was proposed. In addition, a real chemically meaningful ultra-high-way sexalinear data array was obtained and constructed for the first time. The proposed six-way data array has highly collinearity, which puts forward higher requirements for parsing this data array to a certain extent. To verify the feasibility of the proposed algorithm, it was used to analyze the above real sexalinear six-way data array and a series of simulated six-way data arrays with different noise levels. The results of real data and simulated data demonstrate that the proposed method can be well used in the analysis of six-way data arrays and shows fascinating performance, including insensitive to excessive number of components, fast convergence speed, and suitable for high collinearity and high noise data. Compared with three-way, four-way, and five-way calibration methods, the six-way ACM provides higher sensitivity, a lower limit of detection, a lower limit of quantification, and more stable and accurate results, showing an outstanding “higher-order advantages” and better ability to handle collinearity problems. This work provides not only data analysis method for high-order instruments that may emerge in the future but also real data support and methodological reference for theoretical research on high-order tensor algebra.

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来源期刊
Journal of Chemometrics
Journal of Chemometrics 化学-分析化学
CiteScore
5.20
自引率
8.30%
发文量
78
审稿时长
2 months
期刊介绍: The Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Short, critical review papers are a particularly important feature of the journal, in view of the multidisciplinary readership at which it is aimed.
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