分析化学
分析化學
분석화학
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY
2014年
9期
1229-1234
,共6页
杨辉华%张晓凤%樊永显%谢谱模%褚小立
楊輝華%張曉鳳%樊永顯%謝譜模%褚小立
양휘화%장효봉%번영현%사보모%저소립
近红外光谱%模型传递%一元线性回归
近紅外光譜%模型傳遞%一元線性迴歸
근홍외광보%모형전체%일원선성회귀
Near-infrared spectroscopy%Model transfer%Simple linear regression
为解决近红外光谱分析中的模型传递问题,本研究提出了一元线性回归直接标准化算法( Simple linear regression direct standardization,SLRDS)。为验证算法的有效性,采用玉米样品的近红外光谱集进行实验,并与传统的直接标准化算法( Direct standardization, DS)、分段直接标准化算法( Piecewise direct standardi-zation, PDS)进行比较。实验结果表明,SLRDS算法不仅能够有效消除近红外光谱仪之间的差异,很好地实现玉米样品的PLS校正模型在3台仪器之间的共享,而且与DS和PDS算法相比,具有传递性能高、模型简单及所求参数少等优点。
為解決近紅外光譜分析中的模型傳遞問題,本研究提齣瞭一元線性迴歸直接標準化算法( Simple linear regression direct standardization,SLRDS)。為驗證算法的有效性,採用玉米樣品的近紅外光譜集進行實驗,併與傳統的直接標準化算法( Direct standardization, DS)、分段直接標準化算法( Piecewise direct standardi-zation, PDS)進行比較。實驗結果錶明,SLRDS算法不僅能夠有效消除近紅外光譜儀之間的差異,很好地實現玉米樣品的PLS校正模型在3檯儀器之間的共享,而且與DS和PDS算法相比,具有傳遞性能高、模型簡單及所求參數少等優點。
위해결근홍외광보분석중적모형전체문제,본연구제출료일원선성회귀직접표준화산법( Simple linear regression direct standardization,SLRDS)。위험증산법적유효성,채용옥미양품적근홍외광보집진행실험,병여전통적직접표준화산법( Direct standardization, DS)、분단직접표준화산법( Piecewise direct standardi-zation, PDS)진행비교。실험결과표명,SLRDS산법불부능구유효소제근홍외광보의지간적차이,흔호지실현옥미양품적PLS교정모형재3태의기지간적공향,이차여DS화PDS산법상비,구유전체성능고、모형간단급소구삼수소등우점。
To solve the calibration transmission problem in near-infrared ( NIR) spectroscopy, a novel model transfer method, Simple Linear Regression Direct Standard-ization ( SLRDS ) , has been presented. To investigate the validity of the proposed method, a real corn sample NIR dataset was tested and the direct standardization ( DS ) method and piecewise direct standardization ( PDS ) method were involved as a comparison. Our results indicated that SLRDS can correct compressed NIR data differences among instruments and enable the user to share corn sample PLS calibration model among three instruments, at the same time it has higher prediction accuracy, fewer parameters and simpler model than DS and PDS.