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遗传算法用于偏最小二乘方法建模中的变量筛选
引用本文:褚小立,袁洪福,王艳斌,陆婉珍.遗传算法用于偏最小二乘方法建模中的变量筛选[J].分析化学,2001,29(4):437-442.
作者姓名:褚小立  袁洪福  王艳斌  陆婉珍
作者单位:石油化工科学研究院,
摘    要:利用全局搜索方法-遗传算法(genetic algorithms,GA)对近红外光谱分析中的波长变量进行筛选,再用偏最小二乘方法(patrial least squares,PLS)建立分析校正模型。对两类样品的近红外光谱分析应用实例表明,这种选取变量进行校正的方法,不仅简化、优化了模型,而且增强了所建模型的预测能力,尤其适用于单纯PLS较以校正关联的体系。

关 键 词:遗传算法  偏最小二乘方法  变量筛选  汽油  芳烃  润滑油  饱和烃  近红外光谱分析  波长筛选

Variable Selection for Partial Least Squares Modelingby Genetic Algorithms
Chu Xiaoli,Yuan Hongfu,Wang Yanbin,Lu Wanzhen.Variable Selection for Partial Least Squares Modelingby Genetic Algorithms[J].Chinese Journal of Analytical Chemistry,2001,29(4):437-442.
Authors:Chu Xiaoli  Yuan Hongfu  Wang Yanbin  Lu Wanzhen
Abstract:Genetic algorithms (GA), a global searching method, is applied to select wavelength variables of near infrared spectroscpy (NIR) for multivariate calibration made by partial least squares (PLS) method. Two application examples of NIR analysis show that this wavelength selection method for PLS modeling not only simplifies and optimizes calibration model but also increases the prediction ability of calibration model. The method is especially adequate for the system where only PLS is difficult to correlate.
Keywords:Genetic algorithms  partial least squares  variable selection  gasoline  aromatics  lubricant  saturated hydrocarbon
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