高等学校化学学报

高等学校化学学报 ›› 1992, Vol. 13 ›› Issue (10): 1221.

• 论文 • 上一篇    下一篇

用逆向神经元模型从两维混和谱中提取纯组分两维光谱

丛培盛, 李通化, 刘兵, 刘东祥   

  1. 同济大学化学系, 上海, 200092
  • 收稿日期:1991-10-10 修回日期:1992-02-01 出版日期:1992-10-24 发布日期:1992-10-24
  • 通讯作者: 李通化
  • 基金资助:

    国家自然科学基金

Extracting Two-dimensional Pure Spectra from Mixture Spectra with Inverse Neural Model

CONG Pei-Sheng, LI Tong-Hua, LIU Bing, LIU Dong-Xiang   

  1. Department of Chemistry, Tongji University, Shanghai, 200092
  • Received:1991-10-10 Revised:1992-02-01 Online:1992-10-24 Published:1992-10-24

PDF (PC)

被引次数

1

摘要： 提出一种少输入、多输出节点的逆向神经元模型.当训练样本数大于模型输入节点数时,可以得到唯一的神经元模型权重.所求得的权重是混合物中组分的纯光谱.将蒽、菲、芘混合物的荧光激发-发射光谱中提取的纯光谱与实验谱作了比较,并分别作为广义减秩法的校准预报未知混合物的浓度.结果表明所求得的谱比实验谱更适合于作校准.对于蒽、菲、芘、平均预报百分误差从7.0%、8.5%、7.8%分别下降到2.3%、5.0%、3.5%.

关键词: 逆向神经元模型, 广义减秩法, 激发-发射光谱

Abstract: An inverse neural model which consists of less input nodes and more output nodes is proposed in this paper.The unique weights of the neural model can be obtained when the number of training samples is greater than the number of input nodes of the model,and they are the pure spectra of components of the mixtures in our experiments.The obtained pure spectra which were extracted from the excitation-emission matrix of anthracene phenanthrene and pyrene multi-sample mixture were compared to the experimental pure spectra.Both obtained and experimental pure spectra were used as calibration in rank annihilation to predict the concentrations of components in the unknown mixtures.The results show that the obtained pure spectra were more suit-able for calibration and the average predictive errors were decreased from 7%,8.5% and 7,8% to 2.3%,5.0%,and 3.5% for anthracene,phenanthrene and pyrene respectively.

Key words: Inverse neural model, Generalized rank annihilation, Excitation-emission spectrum

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