Luo Ruihao, Guo Shuxia, Hniopek Julian, Bocklitz Thomas
Institute of Physical Chemistry (IPC) and Abbe School of Photonics (ASP), Friedrich-Schiller-Universität Jena, Helmholtzweg 4, 07743 Jena, Germany.
Leibniz Institute of Photonic Technology (IPHT), Albert-Einstein-Straße 9, 07745 Jena, Germany.
Anal Chem. 2025 Apr 15;97(14):7729-7737. doi: 10.1021/acs.analchem.4c05549. Epub 2025 Apr 3.
Nowadays, with the rise of artificial intelligence (AI), deep learning algorithms play an increasingly important role in various traditional fields of research. Recently, these algorithms have already spread into data analysis for Raman spectroscopy. However, most current methods only use 1-dimensional (1D) spectral data classification, instead of considering any neighboring information in space. Despite some successes, this type of methods wastes the 3-dimensional (3D) structure of Raman hyperspectral scans. Therefore, to investigate the feasibility of preserving the spatial information on Raman spectroscopy for data analysis, spatially aware deep learning algorithms were applied into a colorectal tissue data set with 3D Raman hyperspectral scans. This data set contains Raman spectra from normal, hyperplasia, adenoma, carcinoma tissues as well as artifacts. First, a modified version of 3D U-Net was utilized for segmentation; second, another convolutional neural network (CNN) using 3D Raman patches was utilized for pixel-wise classification. Both methods were compared with the conventional 1D CNN method, which worked as baseline. Based on the results of both epithelial tissue detection and colorectal cancer detection, it is shown that using spatially neighboring information on 3D Raman scans can increase the performance of deep learning models, although it might also increase the complexity of network training. Apart from the colorectal tissue data set, experiments were also conducted on a cholangiocarcinoma data set for generalizability verification. The findings in this study can also be potentially applied into future tasks regarding spectroscopic data analysis, especially for improving model performance in a spatially aware way.
如今,随着人工智能(AI)的兴起,深度学习算法在各个传统研究领域发挥着越来越重要的作用。最近,这些算法已经扩展到拉曼光谱的数据分析中。然而,目前大多数方法仅使用一维(1D)光谱数据分类,而没有考虑空间中的任何相邻信息。尽管取得了一些成功,但这类方法浪费了拉曼高光谱扫描的三维(3D)结构。因此,为了研究在拉曼光谱数据分析中保留空间信息的可行性,将具有空间感知能力的深度学习算法应用于一个包含3D拉曼高光谱扫描的结直肠组织数据集。该数据集包含来自正常、增生、腺瘤、癌组织以及伪像的拉曼光谱。首先,使用3D U-Net的改进版本进行分割;其次,使用另一个基于3D拉曼图像块的卷积神经网络(CNN)进行逐像素分类。这两种方法都与作为基线的传统1D CNN方法进行了比较。基于上皮组织检测和结直肠癌检测的结果表明,在3D拉曼扫描中使用空间相邻信息可以提高深度学习模型的性能,尽管这也可能增加网络训练的复杂性。除了结直肠组织数据集外,还在胆管癌数据集上进行了实验以验证通用性。本研究的结果也可能潜在地应用于未来有关光谱数据分析的任务,特别是以空间感知的方式提高模型性能。