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Interpreting support vector machines applied in laser-induced breakdown spectroscopy

delete2022-02-01
delete19
PRE
AI
E
Erik Képeš
J
Jakub Vrábel
O
Ondřej Adamovský
S
Sára Střítežská
P
Pavlína Modlitbová
P
Pavel Pořízka *
J
Jozef Kaiser
DOI:10.1016/j.aca.2021.339352delete
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Abstract

Abstract

En 中文
Laser-induced breakdown spectroscopy is often combined with a multivariate black box model-such as support vector machines (SVMs)-to obtain desirable quantitative or qualitative results. This approach carries obvious risks when practiced in high-stakes applications. Moreover, the lack of understanding of a black-box model limits the user's ability to fine-tune the model. Thus, here we present four approaches to interpret SVMs through investigating which features the models consider important in the classification task of 19 algal and cyanobacterial species. The four feature importance metrics are compared with popular approaches to feature selection for optimal SVM performance. We report that the distinct feature importance metrics yield complementary and often comparable information. In addition, we identify our SVM model's bias towards features with a large variance, even though these features exhibit a significant overlap between classes. We also show that the linear and radial basis kernel SVMs weight the same features to the same degree. (c) 2021 Elsevier B.V. All rights reserved.
Keywords:
LIBS
Classification
Feature importance
SVM
Interpretable machine learning

Journal

Analytica Chimica Acta cover
Analytica Chimica Acta
IF:
6
Papers:
3.3W
Citations:
6.1W

Organization

M
masaryk university brno
Scholars:
1.1W
Papers: 7.8K
Citations: 9
B
Brno University of Technology
Scholars:
5.7K
Papers: 4.7K
Citations: 5.7K