波长注意力1DCNN近红外光谱定量分析算法研究

doi:10.3964/j.issn.1000-0593(2025)06-1598-07

Abstract
References
Related Citation (15)

Download: PDF (7985 KB)
Export: BibTeX | EndNote (RIS)

Abstract Near-infrared spectroscopy(NIRS) technology is widely used in petroleum, textiles, food, pharmaceuticals, etc., due to its fast, non-destructive, and efficient characteristics. However, there are problems with traditional analysis methods,such as difficulty in feature extraction, low modeling accuracy when dealing with spectral data with many variables, and high redundancy. Therefore, this paper proposes a quantitative modeling method of one-dimensional wavelength attention convolutional neural network (WA-1DCNN) suitable for near-infrared spectroscopy without variable screening. The modeling method has a simple structure, strong versatility, and high accuracy.This study introduces the wavelength attention mechanism, which enhances the model's ability to capture important wavelength features by giving different weights to different wavelength data, thereby improving the accuracy and robustness of quantitative analysis. Four publicly available near-infrared spectral datasets were used in this paper to verify the feasibility of the proposed method. The proposed algorithm was compared with three traditional modeling methods that added wavelength screening, namely partial least squares (PLS), support vector regression (SVR), extreme learning machine (ELM), and one-dimensional convolutional neural network (1DCNN)modeling method. The model performance indicators root evaluated the model performance mean square error (RMSE) and coefficient of determination (R²). The results show that the performance indicators of the WA-1DCNN modeling method without the wavelength screening algorithm are better than those of the traditional modeling method and the 1DCNN modeling method with the wavelength screening algorithm. The R² of the test set in the 655 tablets dataset is 0.956 3, which is 4.34%, 12.56%, 18.42%, and 11.59% higher than that of 1DCNN and PLS, SVR, and ELM with wavelength screening; the R² of the test set in the 310 tablets dataset is 0.957 4, which is 2.72%, 8.28%, 7.27%, and 1.17% higher than that of 1DCNN and PLS, SVR, ELM, and 1DCNN with wavelength screening; The R² of the test set were 0.980 3 and 0.968 5, respectively, which were 6.24%, 1.48%, 1.75%, 6.08% and 5.81%, 1.85%, 1.58%, 2.96% higher than those of 1DCNN and PLS, SVR, and ELM with wavelength screening; in the wheat protein dataset, the R² of the test set was 0.960 0, which was 8.67%, 5.79%, 7.94%, and 0.56% higher than those of 1DCNN and PLS, SVR, and ELM with wavelength screening. To verify the optimality of the WA-1DCNN model structure in this paper, ablation experiments were conducted on four near-infrared spectral datasets to change the WA-1DCNN model structure. The results show that the wavelength-attention convolutional neural network is a spectral quantitative analysis method with strong versatility, high generalization ability and simple structure, which can promote the quantitative analysis of near-infrared spectra.

Key words：Near-infrared spectroscopy;Quantitative analysis;Wavelength attention mechanism;One-dimensional convolutional neural network

Received: 2024-07-18 Accepted: 2024-10-15

ZTFLH:

O657.3

Cite this article:

CHEN Bei,JIANG Si-yuan,ZHENG En-rang. Research on the Wavelength Attention 1DCNN Algorithm for Quantitative Analysis of Near-Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2025, 45(06): 1598-1604.

URL:

https://www.gpxygpfx.com/EN/10.3964/j.issn.1000-0593(2025)06-1598-07 OR https://www.gpxygpfx.com/EN/Y2025/V45/I06/1598