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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

Multicomponent analysis of plant samples using continuous wavelet transform and support vector regression

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【作者】 侯振雨王国庆蔡文生邵学广

【Author】 HOU ZhenYu, WANG GuoQing, CAI WenSheng and SHAO XueGuang (Department of Chemistry, University of Science and Technology of China, Hefei, 230026, Anhui, China; Department of Chemical Engineering, Henan Institute of Science and Technology, Xinxiang, 453003, Henan, China)

【机构】 中国科学技术大学化学系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安徽230026230026

【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,GWT-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。

【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.

【基金】 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
  • 【文献出处】 计算机与应用化学 ,Computers and Applied Chemistry , 编辑部邮箱 ,2005年09期
  • 【分类号】Q94-3;
  • 【被引频次】14
  • 【下载频次】276
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