首页 | 本学科首页   官方微博 | 高级检索  
     检索      

正交最小二乘法及其在分析化学中的应用
引用本文:李玉武,刘咸德.正交最小二乘法及其在分析化学中的应用[J].岩矿测试,2001,20(4):257-262.
作者姓名:李玉武  刘咸德
作者单位:国家环境分析测试中心,
基金项目:教育部留学回国人员科研启动基金(679/1998);国家自然科学基金(29777029);中国一比利时双边科学技术合作项目(BWTS 97/71)
摘    要:介绍了一种线性模型参数回归分析方法-正交最小二乘法,并以电子探针微区分析技术分析环境样品的数据为例,对正交最小二乘法和经典最小二乘法的结果进行了详细比较。数据处理结果表明,当变自量和因变量都同时存在测量误差时(或自变量的测量误差与因变量的测量误差相比不能忽略时),正交最小二乘法获得的回归系数优于经典最小二乘法。对正交最小二乘法中的线性模型能解释的方差与经典最小二乘法中的相关系数的关系也进行了讨论。

关 键 词:正交回归分析  最小二乘法  电子探针  数据分析  分析化学
文章编号:0254-5357(2001)04-0257-06
修稿时间:2001年3月23日

Orthogonal Least Squares Method and Its Application in Analytical Chemistry
LI Yu wu,LIU Xian de.Orthogonal Least Squares Method and Its Application in Analytical Chemistry[J].Rock and Mineral Analysis,2001,20(4):257-262.
Authors:LI Yu wu  LIU Xian de
Abstract:A linear parameter estimation technique, the orthogonal least squares (OLS) method, is presented in this paper. The results obtained by the OLS method are compared in detail with those by classical least squares (CLS) method based on electron probe microanalysis data sets which used to estimate the ratio of K to Cl and S intensity for elemental speciation analysis. Our experimental data sets validate that when independent and dependent variables are corrupted by noise the estimates obtained with the OLS method are superior to those with the CLS method. The reliability of the parameter from OLS can be evaluated by the variance explained by the model (VEM). The closer the VEM value to unity, the better the quality of regression analysis. The relationship between the VEM, an index for evaluating the reliability of parameter in OLS, and R squared in CLS is also discussed.
Keywords:orthogonal regression  least squares method  electron probe microanalysis  
本文献已被 CNKI 维普 万方数据 等数据库收录!
点击此处可从《岩矿测试》浏览原始摘要信息
点击此处可从《岩矿测试》下载免费的PDF全文
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号