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Nonlinear least squares with local polynomial interpolation for quantitative analysis of IR spectra
文献类型：期刊论文
| 作者 | Wu, Yifan1,2; Peng, Silong1,2; Xie, Qiong1; Xu, Pengcheng3
|
| 刊名 | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
 |
| 出版日期 | 2019-01-05 |
| 卷号 | 206页码:147-153 |
| ISSN号 | 1386-1425 |
| 关键词 | Spectroscopy Quantitative analysis Nonlinear least squares Local polynomial interpolation |
| DOI | 10.1016/j.saa.2018.08.002 |
| 英文摘要 | 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. |
| 资助项目 | National Natural Science Foundation of China[61571438] ; National Natural Science Foundation of China[61601104] |
| WOS研究方向 | Spectroscopy |
| 语种 | 英语 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| WOS记录号 | WOS:000447570700020 |
| 源URL | [http://ir.amss.ac.cn/handle/2S8OKBNM/31368]  |
| 专题 | 应用数学研究所 |
| 通讯作者 | Peng, Silong |
| 作者单位 | 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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：数学与系统科学研究院
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