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连续小波变换-支持向量回归用于植物样品多组分分析
引用本文:侯振雨,王国庆,蔡文生,邵学广. 连续小波变换-支持向量回归用于植物样品多组分分析[J]. 计算机与应用化学, 2005, 22(9): 714-716
作者姓名:侯振雨  王国庆  蔡文生  邵学广
作者单位:中国科学技术大学化学系,安徽,合肥,230026;河南科技学院化工系,河南,新乡,453003;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(20325517);教育部高等学校优秀青年教师教学科研奖励计划
摘    要:采用连续小波变换(CWT)技术对近红外光谱(NIR)数据进行预处理,扣除光谱中的背景与噪音成分,再用支持向量回归(SVR)进行建模,建立了用于复杂植物样品多组分分析的建模方法(CWT-SVR),并应用于烟草样品中常规成分(总糖、总植物碱和总氮)含量的测定。结果表明,CWT—SVR方法优于基于全谱数据的SVR和偏最小二乘(PLS)法,为近红外光谱定量分析提供了一种新的建模方法。

关 键 词:支持向量回归  近红外光谱  小波变换  烟草样品分析
文章编号:1001-4160(2005)09-714-716
收稿时间:2005-01-21
修稿时间:2005-01-212005-05-10

Multicomponent analysis of plant samples using continuous wavelet transform and support vector regression
HOU ZhenYu,WANG GuoQing,CAI WenSheng,SHAO XueGuang. Multicomponent analysis of plant samples using continuous wavelet transform and support vector regression[J]. Computers and Applied Chemistry, 2005, 22(9): 714-716
Authors:HOU ZhenYu  WANG GuoQing  CAI WenSheng  SHAO XueGuang
Abstract:A new approach was proposed for calibration of near-infrared ( NIR) spectroscopy by using support vector regression ( SVR) and continuous wavelet transform (CWT). In the approach, the NIR spectra of plant samples were firstly preprocessed using CWT for denoising and removing the spectral background, then, SVR technique was used for building the calibration model. With application of the method in determination of total sugars, total alkaloids and total nitrogen compounds in tobacco samples, it was shown that the accuracy of the predicted results by the proposed method are better than that by PLS and conventional SVR methods. It maybe an alternative tool for multicomponent determination of complex samples based on NIR spectra.
Keywords:support vector regression (SVR)    wavelet transform (WT)    near-infrared spectroscopy   tobacco sample analysis
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