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基于稳定竞争自适应重加权采样的光谱分析无标模型传递方法
  • ISSN号:1000-0593
  • 期刊名称:《光谱学与光谱分析》
  • 时间:0
  • 分类:O657[理学—分析化学;理学—化学]
  • 作者机构:[1]北京航空航天大学仪器科学与光电工程学院,北京100191
  • 相关基金:国家自然科学基金项目(60708026)和长江学者和创新团队发展计划项目(IRT0705)资助
中文摘要:

提出了一种基于稳定竞争自适应重加权采样(stability competitive adaptive reweighted sampling , SCARS)的无标模型传递方法。利用有用信息标准即稳定度指数(定义为回归系数除以其标准偏差的绝对值)和传递后的预测均方根误差(root mean squared error of prediction ,RMSEP),选择重要的、受测样参数影响不敏感的波长变量,能够消除或减少不同仪器或测量条件对样本信息反应差异,提高模型传递效果。此外,在该方法中,光谱变量被压缩、降维,从而使模型传递更稳定。采用该方法对谷物的近红外光谱分析模型在不同仪器之间进行传递研究。结果表明,该方法能消除仪器间的大部分差异,较好地实现模型传递效果。与正交信号校正法(orthogonal signal correction ,OSC)、蒙特卡罗结合无用信息变量消除法(Monte Carlo unin-formative variable elimination ,MCUVE)、竞争自适应重加权采样法(competitive adaptive reweighted sam-pling ,CARS)的比较表明,SCARS不仅在传递精度上能取得比OSC、MCUVE及CARS更好的效果,而且能有效地对光谱数据进行压缩,简化并优化传递过程。

英文摘要:

A novel calibration transfer method based on stability competitive adaptive reweighted sampling (SCARS) was pro-posed in the present paper .An informative criterion ,i .e .the stability index ,defined as the absolute value of regression coeffi-cient divided by its standard deviation was used .And the root mean squared error of prediction (RMSEP) after transfer was also used .The wavelength variables which were important and insensitive to influence of measurement parameters were selected . And then the differences in responses of different instruments or measurement conditions for a specific sample were eliminated or reduced to improve the calibration transfer results .Moreover ,in the proposed method ,the spectral variables were compressed , making calibration transfer more stable .The application of the proposed method to calibration transfer of NIR analysis was eval-uated by analyzing the corn with different NIR spectrometers .The results showed that this method can well correct the differ-ence between instruments and improve the analytical accuracy .The transfer results obtained by the proposed method ,orthogonal signal correction (OSC) ,Monte Carlo uninformative variable elimination (MCUVE) and competitive adaptive reweighted sam-pling (CARS) ,respectively ,for corn with different NIR spectrometers indicated that the former gave the best analytical accura-cy ,and was effective for the spectroscopic data compression which can simplify and optimize the transfer process .

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期刊信息
  • 《光谱学与光谱分析》
  • 中国科技核心期刊
  • 主管单位:中国科学技术协会
  • 主办单位:中国光学学会
  • 主编:高松
  • 地址:北京海淀区魏公村学院南路76号
  • 邮编:100081
  • 邮箱:chngpxygpfx@vip.sina.com
  • 电话:010-62181070
  • 国际标准刊号:ISSN:1000-0593
  • 国内统一刊号:ISSN:11-2200/O4
  • 邮发代号:82-68
  • 获奖情况:
  • 1992年北京出版局编辑质量奖,1996年中国科协优秀科技期刊奖,1997-2000获中国科协择优支持基础性高科技学术期刊奖
  • 国内外数据库收录:
  • 俄罗斯文摘杂志,美国化学文摘(网络版),荷兰文摘与引文数据库,美国工程索引,美国生物医学检索系统,美国科学引文索引(扩展库),英国科学文摘数据库,日本日本科学技术振兴机构数据库,中国中国科技核心期刊,中国北大核心期刊(2004版),中国北大核心期刊(2008版),中国北大核心期刊(2011版),中国北大核心期刊(2014版),英国英国皇家化学学会文摘,中国北大核心期刊(2000版)
  • 被引量:40642