KMS Of Academy of mathematics and systems sciences, CAS
| Nonlinear least squares with local polynomial interpolation for quantitative analysis of IR spectra | |
Wu, Yifan1,2; Peng, Silong1,2; Xie, Qiong1; Xu, Pengcheng3
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| 2019-01-05 | |
| Source Publication | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
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| ISSN | 1386-1425 |
| Volume | 206Pages:147-153 |
| Abstract | When using spectroscopic instrumentation for quantitative analysis of mixture, spectral intensity non linearity and peak shift make it challenging for building calibration model. In this study, we investigated the performance of a nonlinear model, namely nonlinear least squares with local polynomial interpolation (NLSLPI). In NLSLPI, the parameters to be optimized are the concentrations of the components. Levenberg-Marquardt (L-M) method is used to solve the nonlinear-least-squares optimization problem and local polynomial interpolation is used to generate the nonlinear function for each component. We tested the robustness of NLSLPI on a computer-simulation dataset. We also compared NLSLPI, in terms of RMSEP, to partial least squares (PLS), classical least squares (CLS) and piecewise classical least squares (PCLS) on a real-world dataset. Experimental results demonstrate the effectiveness of the proposed method. (C) 2018 Elsevier B.V. All rights reserved. |
| Keyword | Spectroscopy Quantitative analysis Nonlinear least squares Local polynomial interpolation |
| DOI | 10.1016/j.saa.2018.08.002 |
| Language | 英语 |
| Funding Project | National Natural Science Foundation of China[61571438] ; National Natural Science Foundation of China[61601104] |
| WOS Research Area | Spectroscopy |
| WOS Subject | Spectroscopy |
| WOS ID | WOS:000447570700020 |
| Publisher | PERGAMON-ELSEVIER SCIENCE LTD |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.amss.ac.cn/handle/2S8OKBNM/31369 |
| Collection | 应用数学研究所 |
| Corresponding Author | Peng, Silong |
| Affiliation | 1.Chinese Acad Sci, Inst Automat, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100190, Peoples R China 3.Chinese Acad Sci, Acad Math & Syst Sci, Beijing 100190, Peoples R China |
| Recommended Citation GB/T 7714 | Wu, Yifan,Peng, Silong,Xie, Qiong,et al. Nonlinear least squares with local polynomial interpolation for quantitative analysis of IR spectra[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2019,206:147-153. |
| APA | Wu, Yifan,Peng, Silong,Xie, Qiong,&Xu, Pengcheng.(2019).Nonlinear least squares with local polynomial interpolation for quantitative analysis of IR spectra.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,206,147-153. |
| MLA | Wu, Yifan,et al."Nonlinear least squares with local polynomial interpolation for quantitative analysis of IR spectra".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 206(2019):147-153. |
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