Dimensionality reduction and unsupervised clustering for EELS-SI

Abstract A novel combination of machine learning algorithms is proposed for the differentiation of distinct spectra in a large electron energy loss spectroscopy spectrum image (EELS-SI) dataset. For clustering of the EEL spectra including similar fine structures in an efficient space, linear and nonlinear dimensionality reduction methods are used to project the EEL spectra onto a low-dimensional space. Then, a density-based clustering algorithm is applied to distinguish the meaningful data clusters. By applying this strategy to various experimental EELS-SI datasets, differentiation of several groups of EEL spectra representing specific fine structures was achieved. It is possible to investigate particular fine structures by averaging all of the spectra in each cluster. Also, the spatial distributions of each cluster in the scanning regions can be observed, which enables investigation of the locations of different fine structures in materials. This method does not require any prior knowledge, i.e., it is a data-driven analysis; therefore, it can be applied to any hyperspectral image.