激光杂志
激光雜誌
격광잡지
LASER JOURNAL
2012年
1期
36-37
,共2页
多维偏最小二乘%三维荧光光谱%有机污染物浓度检测
多維偏最小二乘%三維熒光光譜%有機汙染物濃度檢測
다유편최소이승%삼유형광광보%유궤오염물농도검측
multi-way partial least squares%three-dimensional fluorescence spectrometry%detection of dissolved organ matter
将偏最小二乘方法（PLS）推广到高维的多维偏最小二乘方法（N-PLS）由于同时考虑自变量矩阵和应变量矩阵的信息,可以有效解决高维数据的建模问题,并具有较好的模型预测和推广能力。本文研究了三维荧光光谱的多维偏最小二乘建模方法,根据样本序列、激发光谱、发射光谱构造出三维立体数据,并应用N-PLS建立校正模型。对水中的有机污染物浓度综合指标COD、TOC的建模实验,表明了在建模精度方面N-PLS方法优越于常规PLS和平行因子法。
將偏最小二乘方法（PLS）推廣到高維的多維偏最小二乘方法（N-PLS）由于同時攷慮自變量矩陣和應變量矩陣的信息,可以有效解決高維數據的建模問題,併具有較好的模型預測和推廣能力。本文研究瞭三維熒光光譜的多維偏最小二乘建模方法,根據樣本序列、激髮光譜、髮射光譜構造齣三維立體數據,併應用N-PLS建立校正模型。對水中的有機汙染物濃度綜閤指標COD、TOC的建模實驗,錶明瞭在建模精度方麵N-PLS方法優越于常規PLS和平行因子法。
장편최소이승방법（PLS）추엄도고유적다유편최소이승방법（N-PLS）유우동시고필자변량구진화응변량구진적신식,가이유효해결고유수거적건모문제,병구유교호적모형예측화추엄능력。본문연구료삼유형광광보적다유편최소이승건모방법,근거양본서렬、격발광보、발사광보구조출삼유입체수거,병응용N-PLS건립교정모형。대수중적유궤오염물농도종합지표COD、TOC적건모실험,표명료재건모정도방면N-PLS방법우월우상규PLS화평행인자법。
As extension of partial least square（PLS） to high order,multi-way partial least squares（N-PLS） incorporate the dependent variables in the decomposition of the independent variables.The data of fluorescence spectrometry for samples is arranged in a three-way array,where the first refers to samples,the second to excitation wavelengths,and the third to emission wavelengths.And the N-PLS is used to develop calibration model on the basis of the constructed three-way data.Experimental results for detecting TOC and COD of the dissolved organ matters show N-PLS has an advantage over PARAFAC and conventional PLS in regress modeling.
