利用生成式对抗网络强化 FAIMS 光谱数据在深度学习分析中的应用和性能提升。

IF 2.6 4区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Analytical biochemistry Pub Date : 2024-07-20 DOI:10.1016/j.ab.2024.115627
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引用次数: 0

摘要

在使用高场非对称离子迁移谱(FAIMS)处理复杂混合物进行深度学习分析时,由于缺乏高质量数据和样本多样性低,存在识别性能差的问题。本文介绍了一种生成对抗网络(GAN)方法,利用 FAIMS 收集的 15 类真实混合物光谱数据,模拟并生成高度真实和多样化的光谱,以扩展数据集。将混合数据集分别放入 VGG 和 ResNeXt 中进行测试,实验结果证明,当真实数据与生成数据的比例为 1:4 时,识别效果最佳:准确率分别提高了 24.19% 和 6.43%;精确率分别提高了 23.71% 和 6.97%;召回率分别提高了 21.08% 和 7.09%;F1-score 分别提高了 24.50% 和 8.23%。上述结果有力地证明了 GAN 可以在不增加额外实验成本的情况下,有效地扩大数据量和增加样本多样性,从而显著提高 FAIMS 光谱分析复杂混合物的实验效果。
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Application and performance enhancement of FAIMS spectral data for deep learning analysis using generative adversarial network reinforcement

When using High-field asymmetric ion mobility spectrometry (FAIMS) to process complex mixtures for deep learning analysis, there is a problem of poor recognition performance due to the lack of high-quality data and low sample diversity. In this paper, a Generative Adversarial Network (GAN) method is introduced to simulate and generate highly realistic and diverse spectral for expanding the dataset using real mixture spectral data of 15 classes collected by FAIMS. The mixed datasets were put into VGG and ResNeXt for testing respectively, and the experimental results proved that the best recognition effect was achieved when the ratio of real data to generated data was 1:4: where accuracy improved by 24.19 % and 6.43 %; precision improved by 23.71 % and 6.97 %; recall improved by 21.08 % and 7.09 %; and F1-score improved by 24.50 % and 8.23 %. The above results strongly demonstrate that GAN can effectively expand the data volume and increase the sample diversity without increasing the additional experimental cost, which significantly enhances the experimental effect of FAIMS spectral for the analysis of complex mixtures.

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来源期刊
Analytical biochemistry
Analytical biochemistry 生物-分析化学
CiteScore
5.70
自引率
0.00%
发文量
283
审稿时长
44 days
期刊介绍: The journal''s title Analytical Biochemistry: Methods in the Biological Sciences declares its broad scope: methods for the basic biological sciences that include biochemistry, molecular genetics, cell biology, proteomics, immunology, bioinformatics and wherever the frontiers of research take the field. The emphasis is on methods from the strictly analytical to the more preparative that would include novel approaches to protein purification as well as improvements in cell and organ culture. The actual techniques are equally inclusive ranging from aptamers to zymology. The journal has been particularly active in: -Analytical techniques for biological molecules- Aptamer selection and utilization- Biosensors- Chromatography- Cloning, sequencing and mutagenesis- Electrochemical methods- Electrophoresis- Enzyme characterization methods- Immunological approaches- Mass spectrometry of proteins and nucleic acids- Metabolomics- Nano level techniques- Optical spectroscopy in all its forms. The journal is reluctant to include most drug and strictly clinical studies as there are more suitable publication platforms for these types of papers.
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