Rapid determination of Panax notoginseng origin by terahertz spectroscopy combined with the machine learning method

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2022-09-23 DOI:10.1080/00387010.2022.2125017
Huo Zhang, Lanjuan Huang, Chuan-pei Xu, Zhi Li, Xianhua Yin, Tao Chen, Yuee Wang
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Abstract

Abstract Panax notoginseng is a valuable herb with geographical indication, and the quality and price of P. notoginseng from different origins are very different. Therefore, this paper proposes a rapid and accurate method for identifying the origins of P. notoginseng by collecting the roots of P. notoginseng. This paper improves the whale optimization algorithm in terms of global convergence and convergence speed, introduces the Levy flight strategy and reconstructed whale synergy factor A, and applies it to the parameter optimization of support vector machines, to obtain a high-performance classification model. The improved whale optimization algorithm model identifies the origin of P. notoginseng by discriminating their terahertz spectra. Compared with the commonly used genetic algorithm and the original whale optimization algorithm, improvement in the whale optimization algorithm was able to avoid falling into local optimum solutions more effectively while having a high convergence rate. Accordingly, the improved whale optimization algorithm optimized support vector machine model obtained an overall accuracy of 98.44%, which was significantly higher than the 95.31% overall accuracy of the genetic algorithm optimized support vector machine model and the 96.88% overall accuracy of the whale optimization algorithm optimized support vector machine model. It was concluded that terahertz spectroscopy together with machine learning would be a promising technique for identifying the origins of P. notoginseng.
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太赫兹光谱与机器学习相结合快速测定三七药材
摘要三七是具有地理标志的名贵药材,不同产地三七的质量和价格差异很大。因此,本文提出了一种通过采集三七根来快速准确地鉴定三七来源的方法。本文从全局收敛性和收敛速度方面改进了鲸鱼优化算法,引入了Levy飞行策略和重构的鲸鱼协同因子A,并将其应用于支持向量机的参数优化,得到了一个高性能的分类模型。改进的鲸鱼优化算法模型通过识别三七的太赫兹光谱来识别三七的起源。与常用的遗传算法和原有的whale优化算法相比,改进后的whale算法能够更有效地避免陷入局部最优解,同时具有较高的收敛速度。相应地,改进的whale优化算法优化支持向量机模型获得了98.44%的总体准确率,显著高于遗传算法优化支持矢量机模型的95.31%的总体准确度和whale优化优化算法优化支撑向量机模型的96.88%的整体准确度。结果表明,太赫兹光谱与机器学习相结合将是识别三七起源的一种很有前途的技术。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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