Proceedings of the 2016 4th International Conference on Machinery, Materials and Information Technology Applications

Identification of singular samples in near infrared spectrum correction set by using Monte Carlo cross validation

Authors
Aixiao Zou, Yaxin Qu
Corresponding Author
Aixiao Zou
Available Online January 2017.
DOI
https://doi.org/10.2991/icmmita-16.2016.58How to use a DOI?
Keywords
Near infrared spectroscopy; Monte Carlo cross validation; Partial least square; singular sample
Abstract
Identification of singular samples is the basis of the robustness of the calibration model for near infrared spectra. By using the Monte Carlo method of cross validation (MCCV) ,this experiment identifies the singular samples in the calibration set of starch samples. By using the method of partial least squares (PLS) ,modeling of starch samples coming from the before and after eliminating singular samples of calibration set , which is validated by test set, finally ,comparing the stability and prediction accuracy of the model before and after eliminating abnormal samples by using root mean square error of cross validation (RMSECV), correlation coefficient (R) and root mean square error of prediction (RMSEP) as evaluation index. The results show that the near infrared singular sample recognition algorithm of MCCV can effectively eliminate the singular sample,which can make the correction model have lower RMSECV, RMSEP and higher R, and significantly improve the stability and prediction ability of the model.
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TY  - CONF
AU  - Aixiao Zou
AU  - Yaxin Qu
PY  - 2017/01
DA  - 2017/01
TI  - Identification of singular samples in near infrared spectrum correction set by using Monte Carlo cross validation
BT  - Proceedings of the 2016 4th International Conference on Machinery, Materials and Information Technology Applications
PB  - Atlantis Press
SP  - 328
EP  - 333
SN  - 2352-538X
UR  - https://doi.org/10.2991/icmmita-16.2016.58
DO  - https://doi.org/10.2991/icmmita-16.2016.58
ID  - Zou2017/01
ER  -