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 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS
Ruilong Zhang, Xiaoxia Du, Hua Li
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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。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Application and performance enhancement of FAIMS spectral data for deep learning analysis using generative adversarial network reinforcement

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
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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