基于一维卷积神经网络的液相介质介质谱丰度分析。

IF 3.9 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES
Jiangyang Yu, Zhenyu Jia, Xuan Han, Ri Hu, Zizhou Yang, Jinghui Xu
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引用次数: 0

摘要

针对混合介质谱成分信息分析的难题,利用一维卷积神经网络研究混合介质谱的成分信息特征,实现了混合介质的成分分析。首先,通过实验测量获得了不同体积比的水、乙醇和异丙氧乙烷(iso)的混合介电光谱,并采用奇异谱分析(SSA)方法对原始数据进行去噪,为有效分析介电光谱提供了一种新的数据处理方法。然后,利用线性混合模型,我们系统地获得了不同比例的纯水和异丙氧乙醇二元混合物的介电光谱,以及不同比例设置的水、乙醇和异丙氧乙醇多组分混合物的介电光谱。将生成的数据作为一维卷积神经网络的训练集,对混合介质谱与混合比之间的关系进行建模。双组分和三组分混合溶液检验集模型的决定系数(R2)值均为0.999。在验证集中,相应的R²值分别为0.9887和0.9786,表明基于一维卷积神经网络的解混算法在预测不同比例混合介质的介电谱方面具有较好的准确性和可靠性。本研究为综合表观介电光谱分析和预测混合介质介电性质提供了有效的方法,为混合介质介电性质的研究和分析提供了科学依据,除此之外,本研究还促进了介电光谱分析与机器学习的融合,为水环境治理和水化学分析的研究提供了新的思路和工具。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

One-dimensional convolutional neural network-based analysis of dielectric spectral abundance in liquid-phase media.

One-dimensional convolutional neural network-based analysis of dielectric spectral abundance in liquid-phase media.

One-dimensional convolutional neural network-based analysis of dielectric spectral abundance in liquid-phase media.

One-dimensional convolutional neural network-based analysis of dielectric spectral abundance in liquid-phase media.

Aiming at the difficult problem of component information analysis of mixed dielectric spectra, the component information characteristics of mixed dielectric spectra are investigated by one-dimensional convolutional neural network, and the component analysis of mixed media is realised. First, the mixed dielectric spectra of water, ethanol and isopropoxyethano (iso) with different volume ratios were obtained by experimental measurements, and the singular spectrum analysis (SSA) method was applied to denoise the raw data, which provides a new data processing method for the effective analysis of dielectric spectra. Then, Utilizing the linear mixing model, we systematically obtained the dielectric spectra of binary mixtures of pure water and isopropoxyethanol with diverse ratios, along with those of multi-component mixtures integrating water, ethanol, and isopropoxyethanol at various proportion settings. The generated data were used as a training set for a one-dimensional convolutional neural network to model the correlation between the mixed dielectric spectra and the mixing ratios. The coefficient of determination (R2) values of the model for the two-component and three-component mixed solution test sets were both found to be 0.999. In the validation sets, the corresponding R² values were determined to be 0.9887 and 0.9786, indicating that the accuracy and reliability of the unmixing algorithm based on the one-dimensional convolutional neural network in predicting the dielectric spectra of different proportions of the mixed media are good. This study provides an effective method to analyse and predict the dielectric properties of mixed media integrated apparent dielectric spectra, which provides a scientific basis for the research and analysis of the dielectric properties of mixed media, in addition to this study, this study promotes the integration of dielectric spectroscopy analysis and machine learning, providing new ideas and tools for the research of water environment governance and hydrochemical analysis.

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来源期刊
Scientific Reports
Scientific Reports Natural Science Disciplines-
CiteScore
7.50
自引率
4.30%
发文量
19567
审稿时长
3.9 months
期刊介绍: We publish original research from all areas of the natural sciences, psychology, medicine and engineering. You can learn more about what we publish by browsing our specific scientific subject areas below or explore Scientific Reports by browsing all articles and collections. Scientific Reports has a 2-year impact factor: 4.380 (2021), and is the 6th most-cited journal in the world, with more than 540,000 citations in 2020 (Clarivate Analytics, 2021). •Engineering Engineering covers all aspects of engineering, technology, and applied science. It plays a crucial role in the development of technologies to address some of the world''s biggest challenges, helping to save lives and improve the way we live. •Physical sciences Physical sciences are those academic disciplines that aim to uncover the underlying laws of nature — often written in the language of mathematics. It is a collective term for areas of study including astronomy, chemistry, materials science and physics. •Earth and environmental sciences Earth and environmental sciences cover all aspects of Earth and planetary science and broadly encompass solid Earth processes, surface and atmospheric dynamics, Earth system history, climate and climate change, marine and freshwater systems, and ecology. It also considers the interactions between humans and these systems. •Biological sciences Biological sciences encompass all the divisions of natural sciences examining various aspects of vital processes. The concept includes anatomy, physiology, cell biology, biochemistry and biophysics, and covers all organisms from microorganisms, animals to plants. •Health sciences The health sciences study health, disease and healthcare. This field of study aims to develop knowledge, interventions and technology for use in healthcare to improve the treatment of patients.
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