| Comparison of Artificial Neural Networks with Partial Least Squares Regression for Simultaneous Determinations by ICP-AES |
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| 作者姓名： | KHAYATZADEH MAHANI Mohamad CHALOOSI Marzieh GHANADI MARAGHEH Mohamad KHANCHI Ali Reza AFZALI Dariush |
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| 作者单位： | [1]Faculty of Chemistry, Tarbiat Moalem University, No. 49, Mofateh Ave., P.O. Box 15815-3587, Tehran, Iran [2]Nuclear Science Research School, Nuclear Science and Technology Research Institute, AEOI, P. O. Box 11365-3486, Tehran, Iran [3]Faculty of Science, Department of Chemistry, Shahid Bahonar University, Kerman, Iran |
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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.
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| 关 键 词： | 化学计量学 人工神经网络 局部最小平方 测定方法 |
| 修稿时间： | 2006-11-16 |
Comparison of Artificial Neural Networks with Partial Least Squares Regression for Simultaneous Determinations by ICP-AES |
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| KHAYATZADEH MAHANI, Mohamad CHALOOSI, Marzieh GHANADI MARAGHEH, Mohamad KHANCHI, Ali Reza AFZALI, Dariush.Comparison of Artificial Neural Networks with Partial Least Squares Regression for Simultaneous Determinations by ICP-AES[J].Chinese Journal of Chemistry,2007,25(11):1658-1662. |
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| Authors: | Mohamad KHAYATZADEH MAHANI Marzieh CHALOOSI Mohamad GHANADI MARAGHEH Ali Reza KHANCHI Dariush AFZALI |
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| Institution: | 1. Faculty of Chemistry, Tarbiat Moalem University, No. 49, Mofateh Ave., P.O. Box 15815-3587, Tehran, Iran
Nuclear Science Research School, Nuclear Science and Technology Research Institute, AEOI, P.O. Box 11365-3486, Tehran, Iran;2. Fax: +98 21 88820993;3. Nuclear Science Research School, Nuclear Science and Technology Research Institute, AEOI, P.O. Box 11365-3486, Tehran, Iran;4. Faculty of Science, Department of Chemistry, Shahid Bahonar University, Kerman, Iran |
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| Abstract: | 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 PLS 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. |
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| Keywords: | chemometrics artificial neural network partial least square simultaneous determination |
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