Impact of Laser-Induced Breakdown Spectroscopy data normalization on multivariate classification accuracy
| Autor: | Pavlína Škarková, Jozef Kaiser, Jan Novotný, Pavel Pořízka, Jakub Klus, Jakub Vrábel, David Prochazka, Karel Novotný, Aleš Hrdlička |
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| Rok vydání: | 2017 |
| Předmět: |
Soft independent modelling of class analogies
Computer science business.industry 010401 analytical chemistry Analytical chemistry Pattern recognition 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Analytical Chemistry Database normalization Mean centering Range (statistics) Laser-induced breakdown spectroscopy Artificial intelligence Data pre-processing 0210 nano-technology business Scaling Spectroscopy Multivariate classification |
| Zdroj: | Journal of Analytical Atomic Spectrometry. 32:277-288 |
| ISSN: | 1364-5544 0267-9477 |
| Popis: | Multivariate data analysis (MVDA) is getting popular across the spectroscopic community. To assess accurate results, the obtained data should be preprocessed prior to utilization of any MVDA algorithm. The process of data normalization or “internal standardization” is widely used across a broad range of applications. In this manuscript we investigate the utilization of Laser-Induced Breakdown Spectroscopy (LIBS) coupled with MVDA. However, many articles regarding the use of MVDA on data from LIBS do not provide any information about the data pretreatment. This work describes the impact of LIBS data normalization approaches on MVDA classification accuracy. Also, the impact of classical data preprocessing (mean centering and scaling) exploiting the prior utilization of MVDA was studied. This issue was investigated exploiting simple soft independent modelling of class analogies algorithm. The findings were generalized for three sample matrices (steel, Al alloys, and sedimentary ores). Furthermore, the selection of an appropriate normalization algorithm is not trivial since the spectrum of each sample matrix is composed of a different number of elements and corresponding elemental lines. |
| Databáze: | OpenAIRE |
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