A Rapid Construction Method for Near Infrared Spectral Quantitative Model Based on Reverse Proportional Analysis

ZHANG Xiao-bing; XU Zhi-qiang; ZHONG Yong-jian; ZHU Hong-fu; LI Zheng; ZHANG Jun; ZHAN Ying; PENG Yun-fa; LIU Jian-guo

doi:10.12452/j.fxcsxb.23122202

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A Rapid Construction Method for Near Infrared Spectral Quantitative Model Based on Reverse Proportional Analysis

Experimental Techniques and Methods | 更新时间：2024-08-16

- A Rapid Construction Method for Near Infrared Spectral Quantitative Model Based on Reverse Proportional Analysis
- Journal of Instrumental Analysis Vol. 43, Issue 5, Pages: 792-797(2024)
- 作者机构：
  
  1.浙江中烟工业有限责任公司技术中心，浙江杭州 310024
  2.上海创和亿电子科技发展有限公司，上海 200082
- 作者简介：
- 基金信息：
- DOI：10.12452/j.fxcsxb.23122202
  CLC： O657.3;TS41
- Published：15 May 2024，
  
  Received：22 December 2023，
  
  Revised：15 February 2024，
- 稿件说明：
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张晓兵,徐志强,钟永健,朱宏福,李峥,张军,詹映,彭云发,刘建国.基于反向比例解析的近红外光谱定量模型快速构建方法[J].分析测试学报,2024,43(05):792-797.

ZHANG Xiao-bing,XU Zhi-qiang,ZHONG Yong-jian,ZHU Hong-fu,LI Zheng,ZHANG Jun,ZHAN Ying,PENG Yun-fa,LIU Jian-guo.A Rapid Construction Method for Near Infrared Spectral Quantitative Model Based on Reverse Proportional Analysis[J].Journal of Instrumental Analysis,2024,43(05):792-797.
张晓兵,徐志强,钟永健,朱宏福,李峥,张军,詹映,彭云发,刘建国.基于反向比例解析的近红外光谱定量模型快速构建方法[J].分析测试学报,2024,43(05):792-797. DOI： 10.12452/j.fxcsxb.23122202.

ZHANG Xiao-bing,XU Zhi-qiang,ZHONG Yong-jian,ZHU Hong-fu,LI Zheng,ZHANG Jun,ZHAN Ying,PENG Yun-fa,LIU Jian-guo.A Rapid Construction Method for Near Infrared Spectral Quantitative Model Based on Reverse Proportional Analysis[J].Journal of Instrumental Analysis,2024,43(05):792-797. DOI： 10.12452/j.fxcsxb.23122202.

摘要

为解决光谱漂移问题，该研究设计了一种基于反向比例解析的近红外光谱定量模型方法。以烟叶近红外光谱和烟碱含量为研究对象，将数据划分为训练集和测试集。通过计算训练集光谱与测试集光谱的相关性并按照高低排序，选择前20%的光谱，运用约束规划的方法，计算测试集的拟合系数，得到测试集光谱的估计值。结果显示，使用反向比例解析法建立的模型的平均绝对误差为0.346 6，预测标准偏差为0.425 2，相关系数为0.793 2，优于PLS模型。反向光谱比例解析可以有效解决光谱漂移问题，实现烟草中烟碱含量的准确预测，为烟碱的有效测量提供参考。

Abstract

To address the issue of spectral drift，this study proposes a quantitative model approach for near infrared spectroscopy based on reverse proportional analytical method. The research focuses on tobacco leaf near infrared spectra and nicotine content，with the data being divided into training and test sets. By calculating the correlation between the spectra in these sets and sorting them accordingly，select the top 20% of spectra for constraint programming calculation to estimate the spectra in the test set. The results demonstrate that the reverse proportional analytical method yields an average absolute error of 0.346 6，a predicted standard deviation of 0.425 2，and a correlation coefficient of 0.793 2，indicating its strong performance compared to PLS models. This highlights how the reverse spectral proportional analytical method effectively addresses spectral drift while accurately predicting nicotine content in tobacco，providing valuable insights for nicotine measurement.

关键词

反向比例近红外光谱相关性拟合系数加权

Keywords

inverse proportionnear infrared spectroscopycorrelationfit coefficientweighted

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