MURDA: Multisource Unsupervised Raman Spectroscopy Domain Adaptation Model with Reconstructed Target Domains for Medical Diagnosis Assistance

IF 6.7 1区 化学 Q1 CHEMISTRY, ANALYTICAL Analytical Chemistry Pub Date : 2024-09-20 DOI:10.1021/acs.analchem.4c01581
Yang Liu, Chen Chen, Enguang Zuo, Ziwei Yan, Chenjie Chang, Zhiyuan Cheng, Xiaoyi Lv, Cheng Chen
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Abstract

Artificial intelligence combined with Raman spectroscopy for disease diagnosis is on the rise. However, these methods require a large amount of annotated spectral data for modeling to achieve high diagnostic accuracy. Annotating labels consumes significant medical resources and time. To reduce dependence on labeled medical data resources, we propose a method called Multisource Unsupervised Raman Spectroscopy Domain Adaptation Model with Reconstructed Target Domains (MURDA). It transfers knowledge learned from source domain data sets of different diseases to an unlabeled target domain data set. Compared to knowledge transfer from a single source domain, knowledge from multiple disease source domains provides more generalized knowledge. Considering the diversity of autoimmune diseases and the limited sample size, we apply MURDA to assist in the medical diagnosis of autoimmune diseases. Additionally, we propose a Double-Branch Multiscale Convolutional Self-Attention (DMCS) feature extractor that is more suitable for spectral data feature extraction. On three sets of serum Raman spectroscopy data sets for autoimmune diseases, the multisource domain adaptation diagnostic accuracy of MURDA was superior to traditional single source and multisource models, with accuracy rates of 73.6%, 83.4%, and 82.9%, respectively. Compared with pure source tasks without domain adaptation, it improved by 15.1%, 36%, and 21.6%, respectively. This demonstrates the effectiveness of Raman spectroscopy combined with MURDA in diagnosing autoimmune diseases. We investigated the important decision dependency peaks in migration tasks, providing assistance for future research on artificial intelligence combined with Raman spectroscopy for diagnosing autoimmune diseases. Furthermore, to validate the effectiveness and generalization performance of MURDA, we conducted experiments on the publicly available RRUFF data set, exploring the application of multisource unsupervised domain adaptation in more Raman spectroscopy scenarios.

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MURDA:多源无监督拉曼光谱域自适应模型与用于医疗诊断辅助的重构目标域
将人工智能与拉曼光谱结合起来进行疾病诊断的方法正在兴起。然而,这些方法需要大量注释光谱数据进行建模,才能达到较高的诊断准确率。注释标签需要消耗大量的医疗资源和时间。为了减少对标注医疗数据资源的依赖,我们提出了一种名为 "带重建目标域的多源无监督拉曼光谱域自适应模型(MURDA)"的方法。它将从不同疾病的源域数据集中学到的知识转移到无标记的目标域数据集。与来自单一源域的知识转移相比,来自多个疾病源域的知识能提供更多通用知识。考虑到自身免疫性疾病的多样性和有限的样本量,我们将 MURDA 应用于自身免疫性疾病的医疗诊断。此外,我们还提出了更适合光谱数据特征提取的双分支多尺度卷积自注意力(DMCS)特征提取器。在三组针对自身免疫性疾病的血清拉曼光谱数据集上,MURDA 的多源域自适应诊断准确率优于传统的单源和多源模型,准确率分别为 73.6%、83.4% 和 82.9%。与无域适应的纯源任务相比,准确率分别提高了 15.1%、36% 和 21.6%。这证明了拉曼光谱与 MURDA 相结合在诊断自身免疫性疾病方面的有效性。我们对迁移任务中的重要决策依赖峰进行了研究,为今后人工智能结合拉曼光谱诊断自身免疫性疾病的研究提供了帮助。此外,为了验证MURDA的有效性和泛化性能,我们在公开的RRUFF数据集上进行了实验,探索多源无监督领域适应在更多拉曼光谱场景中的应用。
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来源期刊
Analytical Chemistry
Analytical Chemistry 化学-分析化学
CiteScore
12.10
自引率
12.20%
发文量
1949
审稿时长
1.4 months
期刊介绍: Analytical Chemistry, a peer-reviewed research journal, focuses on disseminating new and original knowledge across all branches of analytical chemistry. Fundamental articles may explore general principles of chemical measurement science and need not directly address existing or potential analytical methodology. They can be entirely theoretical or report experimental results. Contributions may cover various phases of analytical operations, including sampling, bioanalysis, electrochemistry, mass spectrometry, microscale and nanoscale systems, environmental analysis, separations, spectroscopy, chemical reactions and selectivity, instrumentation, imaging, surface analysis, and data processing. Papers discussing known analytical methods should present a significant, original application of the method, a notable improvement, or results on an important analyte.
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