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Comparison of Artificial Neural Networks with Partial Least Squares Regression for Simultaneous Determinations by ICP-AES 被引量:1

Comparison of Artificial Neural Networks with Partial Least Squares Regression for Simultaneous Determinations by ICP-AES
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摘要 Simultaneous determination of several elements (U, Ta, Mn, Zr and W) with inductively coupled plasma atomic emission spectrometry (ICP-AES) in the presence of spectral interference was performed using chemometrics methods. True comparison between artificial neural network (ANN) and partial least squares regression (PLS) for simultaneous determination in different degrees of overlap was investigated. The emission spectra were recorded at uranium analytical line (263.553 nm) with a 0.06 nm spectral window by ICP-AES. Principal component analysis was applied to data and scores on 5 dominant principal components were subjected to ANN. A 5-5-5 (input, hidden and output neurons) network was used with linear transfer function after both hidden and output layers. The PI,S model was trained with five latent variables and 20 samples in calibration set. The relative errors of predictions (REP) in test set were 3.75% and 3.56% for ANN and PLS respectively. Simultaneous determination of several elements (U, Ta, Mn, Zr and W) with inductively coupled plasma atomic emission spectrometry (ICP-AES) in the presence of spectral interference was performed using chemometrics methods. True comparison between artificial neural network (ANN) and partial least squares regression (PLS) for simultaneous determination in different degrees of overlap was investigated. The emission spectra were recorded at uranium analytical line (263.553 nm) with a 0.06 nm spectral window by ICP-AES. Principal component analysis was applied to data and scores on 5 dominant principal components were subjected to ANN. A 5-5-5 (input, hidden and output neurons) network was used with linear transfer function after both hidden and output layers. The PI,S model was trained with five latent variables and 20 samples in calibration set. The relative errors of predictions (REP) in test set were 3.75% and 3.56% for ANN and PLS respectively.
出处 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2007年第11期1658-1662,共5页 中国化学(英文版)
关键词 CHEMOMETRICS artificial neural network partial least square simultaneous determination chemometrics, artificial neural network, partial least square, simultaneous determination
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