3D Hyperspectral Data Analysis with Spatially Aware Deep Learning for Diagnostic Applications

IF 6.7 1区 化学 Q1 CHEMISTRY, ANALYTICAL Analytical Chemistry Pub Date : 2025-04-03 DOI:10.1021/acs.analchem.4c05549
Ruihao Luo, Shuxia Guo, Julian Hniopek, Thomas Bocklitz
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Abstract

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.

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三维高光谱数据分析与空间感知深度学习诊断应用
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,这些算法已被推广到拉曼光谱的数据分析中。然而,目前大多数方法只使用一维(1D)光谱数据分类,而不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,为了研究在数据分析中保留拉曼光谱的空间信息的可行性,我们将空间感知深度学习算法应用于具有三维拉曼高光谱扫描的结直肠组织数据集。该数据集包含正常、增生、腺瘤、癌组织以及伪影的拉曼光谱。首先,利用改进版三维 U-Net 进行分割;其次,利用另一个使用三维拉曼斑块的卷积神经网络(CNN)进行像素分类。这两种方法都与作为基线的传统一维 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,使用三维拉曼扫描的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,以验证其通用性。本研究的发现还有可能应用到未来的光谱数据分析任务中,特别是以空间感知的方式提高模型性能。
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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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