Development of particle swarm optimization–support vector regression (PSO‐SVR) coupled with microwave plasma torch–atomic emission spectrometry for quality control of ginsengs

As people have become more focused on their own health, the role of ginseng for medical uses has begun to receive substantial interest. However, the quality control of ginseng remains in question because different species vary considerably in this respect. In this paper, particle swarm optimization–support vector regression combined with microwave plasma torch–atomic emission spectrometry (MPT‐AES) was used, for the first time, for quality control of ginseng. To build calibration models, quantitative determination of target element concentrations in ginseng samples was conducted by MPT‐AES because ginseng quality was closely related to the place of origin and can thus be judged by the elemental composition. Characteristic spectral lines were extracted via principal component analysis to reduce the computational effort and improve the representativeness of the input variables. Two heuristic algorithms, particle swarm optimization and a genetic algorithm, were selected to optimize the parameters (eg, c, g, and ε) that were extremely significant in the construction of the support vector regression (SVR) models. Another linear regression approach, partial least squares regression (PLSR), was also used and compared. The comparisons were based on evaluation indexes, namely, the root mean square error and the squared correlation coefficient (R2). A significant difference between SVR and PLSR showed that SVR outperformed PLSR in such a multivariate regression problem. The acquired results showed that particle swarm optimization was slightly better than a genetic algorithm. In conclusion, the proposed MPT‐AES combined with particle swarm optimization–support vector regression is appropriate for quantitative elemental analysis and further application in the quality control of ginseng.

[1]  Xueguang Shao,et al.  A consensus least squares support vector regression (LS-SVR) for analysis of near-infrared spectra of plant samples. , 2007, Talanta.

[2]  Heng Tao Shen,et al.  Principal Component Analysis , 2009, Encyclopedia of Biometrics.

[3]  P. But,et al.  Differentiation and authentication of Panax ginseng, Panax quinquefolius, and ginseng products by using HPLC/MS. , 2000, Analytical chemistry.

[4]  B. Kowalski,et al.  Partial least-squares regression: a tutorial , 1986 .

[5]  S. Macho,et al.  Near-infrared spectroscopy and multivariate calibration for the quantitative determination of certain properties in the petrochemical industry , 2002 .

[6]  Mingjun Wang,et al.  Particle swarm optimization-based support vector machine for forecasting dissolved gases content in power transformer oil , 2009 .

[7]  J. Wong,et al.  Analysis of organophosphorus pesticides in dried ground ginseng root by capillary gas chromatography-mass spectrometry and -flame photometric detection. , 2007, Journal of agricultural and food chemistry.

[8]  Corinna Cortes,et al.  Support-Vector Networks , 1995, Machine Learning.

[9]  Wei Jin,et al.  Support vector machine classification for determination of geographical origin of Chinese ginseng using microwave plasma torch-atomic emission spectrometry , 2016 .

[10]  L. Buydens,et al.  Comparing support vector machines to PLS for spectral regression applications , 2004 .

[11]  Young-Ah Woo,et al.  Classification of cultivation area of ginseng radix with NIR and Raman spectroscopy , 1999 .

[12]  Y. Duan,et al.  Quantitative analysis of sedimentary rocks using laser-induced breakdown spectroscopy: comparison of support vector regression and partial least squares regression chemometric methods , 2015 .

[13]  Chih-Hung Wu,et al.  A real-valued genetic algorithm to optimize the parameters of support vector machine for predicting bankruptcy , 2007, Expert Syst. Appl..

[14]  R. Yu,et al.  Variable-weighted least-squares support vector machine for multivariate spectral analysis. , 2010, Talanta.

[15]  N. Xin,et al.  Application of genetic algorithm‐support vector regression (GA‐SVR) for quantitative analysis of herbal medicines , 2012 .

[16]  Nello Cristianini,et al.  An Introduction to Support Vector Machines and Other Kernel-based Learning Methods , 2000 .

[17]  Chih-Jen Lin,et al.  LIBSVM: A library for support vector machines , 2011, TIST.

[18]  L. Buydens,et al.  Multivariate calibration with least-squares support vector machines. , 2004, Analytical chemistry.

[19]  Henrik Antti,et al.  Multivariate calibration models using NIR spectroscopy on pulp and paper industrial applications , 1996 .

[20]  W. Deng,et al.  Kinetic Resolution of Aryl Alkenylcarbinols Catalyzed by Fc-PIP , 2012 .