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近红外光谱法最小二乘双胞胎支持向量机的应用研究
引用本文:宋相中,陈昌洲,闵顺耕,何雄奎,李铮,米津锐,张录达.近红外光谱法最小二乘双胞胎支持向量机的应用研究[J].分析化学,2012,40(6):950-954.
作者姓名:宋相中  陈昌洲  闵顺耕  何雄奎  李铮  米津锐  张录达
作者单位:中国农业大学理学院,北京,100193
基金项目:科技部国际合作项目,北京市大学生科学研究与创业行动计划项目资助
摘    要:依据中药大黄的近红外光谱信息,采用最小二乘双胞胎支持向量机( LSTSVM)算法,通过MATLAB软件编程,建立参数可优化识别模型,实现了对中药大黄的真伪鉴别.将实验材料98个大黄样品随机划分为训练集和测试集,对于训练集60个样品采用留1/5法交叉验证优化模型参数,以所选最优化参数结合训练集样品的近红外光谱建立最优识别模型,对测试集的38个样品的真伪迸行识别,识别率可达97.4%.结果表明,LSTSVM算法是一种有效的识别方法,可依据中药大黄的近红外光谱对其真伪进行快速识别.同时,本研究将大黄样品6次随机划分为训练集和测试集,建模预测平均识别率为93.4%,表明采用LSTSVM算法建立识别模型具有较好的稳健性.

关 键 词:最小二乘双胞胎支持向量机  近红外光谱  化学计量学  大黄

Application of Least Square Twins Support Vector Machine in Near Infrared Spectrometry
SONG Xiang-Zhong , CHEN Chang-Zhou , MIN Shun-Geng , HE Xiong-Kui , LI Zheng , M Jin Rui , ZHANG Lu-Da.Application of Least Square Twins Support Vector Machine in Near Infrared Spectrometry[J].Chinese Journal of Analytical Chemistry,2012,40(6):950-954.
Authors:SONG Xiang-Zhong  CHEN Chang-Zhou  MIN Shun-Geng  HE Xiong-Kui  LI Zheng  M Jin Rui  ZHANG Lu-Da
Institution:SONG Xiang-Zhong , CHEN Chang-Zhou , MIN Shun-Geng , HE Xiong-Kui , LI Zheng , M1 Jin Rui , ZHANG Lu-Da
Abstract:A method for rapid identification of the traditional Chinese herb rhubarb based on near infrared(NIR) spectroscopy was described.The identification model was established by the least square twins support vector machine(LSTSVM) algorithm with MATLAB.98 rhubarb samples were used for the investigation.To establish NIR-LSTSVM identification model,the samples were divided into training set with 60 samples and testing set with 38 samples randomly.The parameters of the model were optimized by the leave 1/5 out cross validation method for the training set.And then the optimal recognition model was established by using the selected optimal parameters and near infrared spectra.The identification rate for the testing set was 97.4%.The result indicated that it is an effective method for rapid identification of rhubarb.In addition,recognition models were established by using the above method while the rhubarb samples were randomly divided into training set and testing set six times,and the average identification rate was 93.4%.The result showed that this method presented good robustness.
Keywords:Least squares twin support vector machine  Near infrared spectrum  Chemometrics  Rhubarb
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