Toward Informative Representations of Blood-Based Infrared Spectra via Unsupervised Deep Learning

IF 2 3区 物理与天体物理 Q3 BIOCHEMICAL RESEARCH METHODS
Corinna Wegner, Zita I. Zarandy, Nico Feiler, Lea Gigou, Timo Halenke, Niklas Leopold-Kerschbaumer, Maik Krusche, Weronika Skibicka, Kosmas V. Kepesidis
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Abstract

This study explores using unsupervised deep learning to find a low-dimensional representation of infrared molecular fingerprints of human blood. We developed a fully convolutional denoising autoencoder to process Fourier transform infrared (FTIR) spectroscopy data, aiming to condense the spectra into a set of latent variables. By utilizing the autoencoder's bottleneck architecture and a custom loss function, we effectively reduced noise while retaining essential molecular information. This method improved lung cancer detection accuracy by 2.6 percentage points in a case–control study. The resulting latent space not only compacts spectral data, but also highlights variables linked to disease presence, offering potential for improving diagnostics.

Trial Registration: German Clinical Trials Register (DRKS): DRKS00013217

Abstract Image

基于血液的红外光谱的无监督深度学习信息表示。
本研究探索使用无监督深度学习来寻找人体血液红外分子指纹的低维表示。我们开发了一种全卷积去噪自动编码器来处理傅立叶变换红外(FTIR)光谱数据,旨在将光谱浓缩为一组潜在变量。通过利用自动编码器的瓶颈结构和自定义损失函数,我们有效地减少了噪音,同时保留了重要的分子信息。在一项病例对照研究中,这种方法将肺癌检测准确率提高了 2.6 个百分点。由此产生的潜在空间不仅压缩了频谱数据,还突出了与疾病存在相关的变量,为改进诊断提供了潜力。试验注册:德国临床试验注册中心(DRKS):DRKS00013217.
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来源期刊
Journal of Biophotonics
Journal of Biophotonics 生物-生化研究方法
CiteScore
5.70
自引率
7.10%
发文量
248
审稿时长
1 months
期刊介绍: The first international journal dedicated to publishing reviews and original articles from this exciting field, the Journal of Biophotonics covers the broad range of research on interactions between light and biological material. The journal offers a platform where the physicist communicates with the biologist and where the clinical practitioner learns about the latest tools for the diagnosis of diseases. As such, the journal is highly interdisciplinary, publishing cutting edge research in the fields of life sciences, medicine, physics, chemistry, and engineering. The coverage extends from fundamental research to specific developments, while also including the latest applications.
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