mass spectrometry proteomics Algorithms Chromatography, Liquid Cluster Analysis Data Compression Data mining Data representations Essential features Hierarchical clustering Hierarchical strategies Hierarchical systems K-means clustering Large-scale cluster analysis Learning algorithms Liquid chromatography Machine learning Mass Spectrometry Mass spectrometry Mass spectrometry analysis Mass spectrometry data Multi-core machines Objective functions Optimal transport Peptides Proteomics State-of-the-art methods Wasserstein kernel algorithm article