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近红外光谱与烟草样品总糖含量的非线性模型研究
引用本文:陈达,王芳,邵学广,苏庆德.近红外光谱与烟草样品总糖含量的非线性模型研究[J].光谱学与光谱分析,2004,24(6):672-674.
作者姓名:陈达  王芳  邵学广  苏庆德
作者单位:中国科学技术大学化学系,安徽,合肥,230026
基金项目:国家自然科学基金(20175024)和国家烟草专卖局(编号763,合同号110200101042)资助项目
摘    要:针对烟草样品的近红外 (NIR)光谱与其总糖含量非线性相关的特点 ,提出了一种混合算法用于建立近红外光谱的非线性模型。该算法结合了偏最小二乘法 (PartialLeastSquare ,PLS)算法和人工神经网络(ArtificialNeuralNetwork ,ANN) ,把模型分成两个部分 :线性部分与非线性部分 ,并分别进行建模。与传统的多元校正算法PLS ,主成分回归 (PrincipleComponentRegression ,PCR) ,非线性PLS(NonlinearPLS ,NPLS)等相比 ,该混合算法所建的非线性参数模型的预测结果有明显的改善 ,从而为建立非线性模型提供了一种快速、准确的算法 ,可用于烟草样品总糖含量的定量分析。

关 键 词:近红外光谱  偏最小二乘  神经网络  混合算法
文章编号:1000-0593(2004)06-0672-03
修稿时间:2002年7月5日

Research on the Nonlinear Model of Near Infrared Spectroscopy and the Total Sugar of Tobacco Samples
Chen Da,Fang Wang,Xue-guang Shao,Qing-de Su.Research on the Nonlinear Model of Near Infrared Spectroscopy and the Total Sugar of Tobacco Samples[J].Spectroscopy and Spectral Analysis,2004,24(6):672-674.
Authors:Chen Da  Fang Wang  Xue-guang Shao  Qing-de Su
Institution:Department of Chemistry, University of Science and Technology of China, Hefei 230026, China.
Abstract:Near infrared spectroscopy (NIR) is an instrumental method applied for rapidly measuring the NIR spectra of pulverized tobacco samples and computing the chemical compositions from the spectral data. In the present paper, a mixed algorithm was employed for building the nonlinear model of NIR and the total sugar of tobacco samples. The mixed algorithm was combined with Partial Least Squares (PLS) method and Artificial Neural Network (ANN). The model based on the mixed algorithm was divided into two parts: linear part and nonlinear part, and the corresponding model of each part was built respectively. Compared with the classical multivariate calibration methods such as Principle Component Regression (PCR), PLS and nonlinear PLS (NPLS), the proposed procedure performed much better. The results showed that the mixed algorithm could be used for the quantitative analysis of the total sugar in tobacco samples.
Keywords:Near infrared spectrum  Partial least squares  Artificial neural network  Mixed algorithm
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