Spatiochemical Characterization of the Pancreas Using Mass Spectrometry Imaging and Topological Data Analysis

[Image: see text] Mass Spectrometry Imaging (MSI) is a technique used to identify the spatial distribution of molecules in tissues. An MSI experiment results in large amounts of high dimensional data, so efficient computational methods are needed to analyze the output. Topological Data Analysis (TDA) has proven to be effective in all kinds of applications. TDA focuses on the topology of the data in high dimensional space. Looking at the shape in a high dimensional data set can lead to new or different insights. In this work, we investigate the use of Mapper, a form of TDA, applied on MSI data. Mapper is used to find data clusters inside two healthy mouse pancreas data sets. The results are compared to previous work using UMAP for MSI data analysis on the same data sets. This work finds that the proposed technique discovers the same clusters in the data as UMAP and is also able to uncover new clusters, such as an additional ring structure inside the pancreatic islets and a better defined cluster containing blood vessels. The technique can be used for a large variety of data types and sizes and can be optimized for specific applications. It is also computationally similar to UMAP for clustering. Mapper is a very interesting method, especially its use in biomedical applications.