偏最小二乘法在激光诱导击穿光谱定量分析中的应用研究  

Application of Partial Least Squares Method to Quantitative Analysis of Laser-induced Breakdown Spectra

作　　者：李宏达[1] 王耀霆 胡琪昊 王超明 Li Hongda;Wang Yaoting;Hu Qihao;Wang Chaoming(College of Equipment Engineering,Shenyang Ligong University,Shenyang,China;The First Hospital of China Medical University,Shenyang,China;Shenyang Dongkela Science and Technology Company,Shenyang,China)

机构地区：[1]沈阳理工大学装备工程学院,辽宁沈阳 [2]中国医科大学附属第一医院,辽宁沈阳 [3]沈阳东科拉科技有限公司,辽宁沈阳

出　　处：《科学技术创新》2024年第16期25-29,共5页Scientific and Technological Innovation

摘　　要：介绍了激光诱导击穿光谱(laser induced breakdown spectroscopy,LIBS)技术、主元分析(principal component an alysis,PCA)法和偏最小二乘(partial least squares,PLS)法的基本原理。对Pb元素特征谱线附近的36个维度进行主成分信息提取,对36维波长数据压缩到2维后,采用每个样品的20个脉冲的主元分数进行偏最小二乘拟合,对数据进行平均处理后,拟合结果质量较高,拟合系数平方的值从0.49810提高到0.97000;残差平方和从0.72529下降到1.36366*10^(-4)。PCA法可以有效的缩减具有一定相关性的样本数据空间,对于数据维度较大的数据处理能显著提升效率,再结合PLS法拟合压缩后的主元,实验结论得出PLS适合用于LIBS定量分析。The basic principles of laser induced breakdown spectroscopy(LIBS)technique,principal component analysis(PCA)method and partial least squares(PLS)method were introduced.The principal component information was extracted from 36 dimensions near the characteristic spectral line of the Pb element,and the 36-dimensional wavelength data were compressed to 2 dimensions,and then the principal component scores of 20 pulses for each sample were used for partial least squares fitting,and after averaging the data,the fitting results were of high quality,with the value of the squared fitting coefficient increasing from 0.49810 to 0.97000;and the sum of squares of the residuals decreasing from 0.72529 decreased to 1.36366*10^(-4).The PCA method can effectively reduce the space of sample data with certain correlation,and can significantly improve the efficiency of data processing for data with large dimensions,and combined with the PLS method to fit the compressed principal elements,the experimental conclusion concludes that PLS is suitable for LIBS quantitative analysis.

关 键 词：激光诱导击穿光谱 Pb元素 主元分析 偏最小二乘法 

分 类 号：O433.4[机械工程—光学工程]