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Updated: Aug 15, 2025

UV-Vis Spectroscopic Characterization of Nanomaterials in Aqueous Media
Published on: October 25, 2021
A method based on a one-dimensional convolutional neural network for UV-vis spectrometric quantification of nitrate
Meng Xia1,2, Ruifang Yang1, Gaofang Yin1
1Key Laboratory of Environmental Optics and Technology, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences 350 Shushanhu Road Hefei 230031 China njzhao@aiofm.ac.cn mxia@aiofm.ac.cn gfyin@aiofm.ac.cn xwchen@aiofm.ac.cn.
Abstract:
This paper proposed a novel spectrometric quantification method for nitrate and COD concentration in water using a double-channel 1-D convolution neural network for relatively long UV-vis absorption spectra data (2600 points). To improve the model's ability to resist turbidity disturbance, a new dataset augmentation method was applied and the absorption spectra of nitrate and COD under different turbidity disturbances were successfully simulated. Compared to the PLSR model, the value of RRMSEP for the CNN model was reduced from 6.1% to 1.4% in nitrate solution and 4.5% to 1.3% in COD solution. Compared to the PLSR model, the regression accuracy of the CNN model was increased from 56% to 93% in nitrate solution and 68% to 91% in COD solution. The test on the actual solution under different turbidity disturbances shows that the 1D-CNN model had a bias rate of less than 2% in both nitrate and COD solutions, while the worst bias rate in the PLSR method was 15%.
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