Drug discrimination of Near Infrared spectroscopy based on the scaled convex hull classifier

Zhenbing Liu; Shujie Jiang; Huihua Yang

doi:doi:10.1142/s1793545814500205

Journal of Innovative Optical Health Sciences, 2014, 7 (4): 1450020, Published Online: Jan. 10, 2019

Drug discrimination of Near Infrared spectroscopy based on the scaled convex hull classifier

论文大纲

Zhenbing Liu ^*Shujie Jiang Huihua Yang

Author Affiliations

School of Electronic Engineering and Automation Guilin University of Electronic Technology No. 1 Jinji Road, Guilin, P. R. China

Drug classification Near Infrared spectroscopy class imbalance scaled convex hulls

Abstract

Near Infrared spectroscopy (NIRS) has been widely used in the discrimination (classification) of pharmaceutical drugs. In real applications, however, the class imbalance of the drug samples, i.e., the number of one drug sample may be much larger than the number of the other drugs, deceases drastically the discrimination performance of the classification models. To address this class imbalance problem, a new computational method — the scaled convex hull (SCH)-based maximum margin classifier is proposed in this paper. By a suitable selection of the reduction factor of the SCHs generated by the two classes of drug samples, respectively, the maximal margin classifier between SCHs can be constructed which can obtain good classification performance. With an optimization of the parameters involved in the modeling by Cuckoo Search, a satisfied model is achieved for the classification of the drug. The experiments on spectra samples produced by a pharmaceutical company show that the proposed method is more effective and robust than the existing ones.

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Zhenbing Liu, Shujie Jiang, Huihua Yang. Drug discrimination of Near Infrared spectroscopy based on the scaled convex hull classifier[J]. Journal of Innovative Optical Health Sciences, 2014, 7(4): 1450020.

Drug discrimination of Near Infrared spectroscopy based on the scaled convex hull classifier

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