Calibration Transfer Based on Affine Invariance for NIR without Transfer Standards
文献类型：期刊论文
| 作者 | Zhao, Yuhui1; Zhao, Ziheng1; Shan, Peng2; Peng, Silong3 ; Yu, Jinlong1; Gao, Shuli1
|
| 刊名 | MOLECULES
 |
| 出版日期 | 2019-05-01 |
| 卷号 | 24期号:9页码:19 |
| 关键词 | near-infrared (NIR) spectroscopy calibration transfer affine invariance multivariate calibration partial least squares (PLS) |
| ISSN号 | 1420-3049 |
| DOI | 10.3390/molecules24091802 |
| 通讯作者 | Shan, Peng(peng.shan@neuq.edu.cn) |
| 英文摘要 | Calibration transfer is an important field for near-infrared (NIR) spectroscopy in practical applications. However, most transfer methods are constructed with standard samples, which are expensive and difficult to obtain. Taking this problem into account, this paper proposes a calibration transfer method based on affine invariance without transfer standards (CTAI). Our method can be utilized to adjust the difference between two instruments by affine transformation. CTAI firstly establishes a partial least squares (PLS) model of the master instrument to obtain score matrices and predicted values of the two instruments, and then the regression coefficients between each of the score vectors and predicted values are computed for the master instrument and the slave instrument, respectively. Next, angles and biases are calculated between the regression coefficients of the master instrument and the corresponding regression coefficients of the slave instrument, respectively. Finally, by introducing affine transformation, new samples are predicted based on the obtained angles and biases. A comparative study between CTAI and the other five methods was conducted, and the performances of these algorithms were tested with two NIR spectral datasets. The obtained experimental results show clearly that, in general CTAI is more robust and can also achieve the best Root Mean Square Error of test sets (RMSEPs). In addition, the results of statistical difference with the Wilcoxon signed rank test show that CTAI is generally better than the others, and at least statistically the same. |
| WOS关键词 | ORTHOGONAL SIGNAL CORRECTION ; NEAR-INFRARED SPECTROSCOPY ; IMPROVEMENT ; REGRESSION ; SPECTRA |
| 资助项目 | National Natural Science Foundation of China[61601104] ; Natural Science Foundation of Hebei Province[F2017501052] ; Natural Science Foundation of Hebei Province[XNB201611] |
| WOS研究方向 | Biochemistry & Molecular Biology ; Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000469518100161 |
| 出版者 | MDPI |
| 资助机构 | National Natural Science Foundation of China ; Natural Science Foundation of Hebei Province |
| 源URL | [http://ir.ia.ac.cn/handle/173211/26065]  |
| 专题 | 自动化研究所_智能制造技术与系统研究中心_多维数据分析团队 |
| 通讯作者 | Shan, Peng |
| 作者单位 | 1.Northeastern Univ, Sch Comp Sci & Engn, Shenyang 110819, Liaoning, Peoples R China 2.Northeastern Univ, Coll Informat Sci & Engn, Shenyang 110819, Liaoning, Peoples R China 3.Chinese Acad Sci, Inst Automat, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao, Yuhui,Zhao, Ziheng,Shan, Peng,et al. Calibration Transfer Based on Affine Invariance for NIR without Transfer Standards[J]. MOLECULES,2019,24(9):19. |
| APA | Zhao, Yuhui,Zhao, Ziheng,Shan, Peng,Peng, Silong,Yu, Jinlong,&Gao, Shuli.(2019).Calibration Transfer Based on Affine Invariance for NIR without Transfer Standards.MOLECULES,24(9),19. |
| MLA | Zhao, Yuhui,et al."Calibration Transfer Based on Affine Invariance for NIR without Transfer Standards".MOLECULES 24.9(2019):19. |
入库方式： OAI收割
来源：自动化研究所
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