Yujia Dai , Qing Ma , Tingsong Zhang , Shangyong Zhao , Lu Zhou , Xun Gao , Ziyuan Liu
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引用次数: 0
Abstract
Laser-Induced Breakdown Spectroscopy (LIBS), combined with modern machine learning tools, has emerged as a powerful technique for metal material identification, leveraging its high sensitivity and rapid response. However, the current spectral data analysis methods typically involve a two-step process of dimensionality reduction and model learning, lacking seamless integration. In this study, we address this issue by investigating a discriminative learning approach based on LIBS, utilizing the Discriminative Restricted Boltzmann Machine (DRBM). We apply LIBS technology in conjunction with DRBM for spectral feature selection and classification of five distinct small-sample aluminum alloy samples. The learned spectral latent distribution from the generative model component of DRBM effectively regularizes the discriminative process, thereby overcoming the problem of training overfitting arising from the high-dimensional small-sample limitation. This results in a stable and generalizable qualitative analysis model independent of empirical knowledge. The approach presented in this study achieves a 100 % accuracy, surpassing the best-performing traditional machine learning method (PCA-RF) by 13.33 % in accuracy and demonstrating a similar improvement compared to a Backpropagation Neural Network (BPNN) with the same structure.
期刊介绍:
Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications, reviews, tutorials and Original Software Publications reporting on development of novel statistical, mathematical, or computer techniques in Chemistry and related disciplines.
Chemometrics is the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data.
The journal deals with the following topics:
1) Development of new statistical, mathematical and chemometrical methods for Chemistry and related fields (Environmental Chemistry, Biochemistry, Toxicology, System Biology, -Omics, etc.)
2) Novel applications of chemometrics to all branches of Chemistry and related fields (typical domains of interest are: process data analysis, experimental design, data mining, signal processing, supervised modelling, decision making, robust statistics, mixture analysis, multivariate calibration etc.) Routine applications of established chemometrical techniques will not be considered.
3) Development of new software that provides novel tools or truly advances the use of chemometrical methods.
4) Well characterized data sets to test performance for the new methods and software.
The journal complies with International Committee of Medical Journal Editors'' Uniform requirements for manuscripts.