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A local pre-processing method for near-infrared spectra,combined with spectral segmentation and standard normal variate transformation
Authors:Yiming Bi  Kailong Yuan  Weiqiang Xiao  Jizhong Wu  Chunyun Shi  Jun Xia  Guohai Chu  Guangxin Zhang  Guojun Zhou
Institution:1. Technology Center, China Tobacco Zhejiang Industrial Co., Ltd, Hangzhou, 310008, China;2. College of Control Science and Engineering, Zhejiang University, Hangzhou, 310027, China
Abstract:Pre-processing of near-infrared (NIR) spectral data has become a necessary part of chemometrics modeling and is widely used in many practical applications. The objective of the pre-processing is to remove physical phenomena in the spectra in order to improve subsequent qualitative or quantitative analysis. Herein, a localized version of standard normal variate (SNV) is proposed, in which the correction parameters are estimated from local spectral areas. The method of determining the optimal spectral segmentation is also presented. Compared with full range methods, the local method demonstrates advantages in spectral linearity correction, model interpretation and prediction accuracy. Several benchmark NIR data sets were studied in our experiments; the proposed method achieved comparable performance against proven full range methods, with the reduction of prediction errors being statistically significant in many cases.
Keywords:Near-infrared spectroscopy  Pre-processing  Standard normal variate  Local method
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