Spatial Segmentation of Mass Spectrometry Imaging Data by Combining Multivariate Clustering and Univariate Thresholding.

Spatial Segmentation of Mass Spectrometry Imaging Data by Combining Multivariate Clustering and Univariate Thresholding.
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DOI:
10.1021/acs.analchem.0c04798
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发表时间:
2021-02-23
影响因子:
7.4
通讯作者:
Laskin J
Laskin J
中科院分区:
化学1区
文献类型:
--
作者:
Hu H;Yin R;Brown HM;Laskin J

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空间分割将质谱成像(MSI)数据划分为不同的区域,提供大量数据的简明可视化并识别用于下游统计分析的感兴趣区域(ROI)。无监督的方法是特别有吸引力的,因为它们可以用于发现存在于高维MSI数据中的潜在亚群,而无需事先了解样品的性质。在这里,我们介绍了一种无监督的空间分割方法,该方法结合了多变量聚类和单变量阈值处理来生成MSI数据的全面空间分割图。这种方法结合了矩阵分解和流形学习,可以在不进行大量超参数搜索的情况下实现高质量的图像分割。并行地,使用单变量阈值处理来处理在多变量分析中未充分表示的一些离子图像以生成互补空间段。最终的空间分割图是从使用这两种技术生成的候选片段组装而成的。我们证明了这种方法的性能和鲁棒性的两个MSI数据集的小鼠子宫和肾脏组织切片获得不同的空间分辨率。所得到的分割图易于解释并投影到组织的已知解剖区域上。
Spatial segmentation partitions mass spectrometry imaging (MSI) data into distinct regions providing a concise visualization of the vast amount of data and identifying regions of interest (ROIs) for downstream statistical analysis. Unsupervised approaches are particularly attractive as they may be used to discover the underlying subpopulations present in the high-dimensional MSI data without prior knowledge of the properties of the sample. Herein, we introduce an unsupervised spatial segmentation approach, which combines multivariate clustering and univariate thresholding to generate comprehensive spatial segmentation maps of the MSI data. This approach combines matrix factorization and manifold learning to enable high-quality image segmentation without an extensive hyperparameter search. In parallel, some ion images inadequately represented in the multivariate analysis are treated using univariate thresholding to generate complementary spatial segments. The final spatial segmentation map is assembled from segment candidates generated using both techniques. We demonstrate the performance and robustness of this approach for two MSI data sets of mouse uterine and kidney tissue sections acquired with different spatial resolutions. The resulting segmentation maps are easy to interpret and project onto the known anatomical regions of the tissue.
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