RamanCluster: A deep clustering-based framework for unsupervised Raman spectral identification of pathogenic bacteria

Abstract

Raman spectroscopy serves as a powerful and reliable tool for the characterization of pathogenic bacteria. The integration of Raman spectroscopy with artificial intelligence techniques to rapidly identify pathogenic bacteria has become paramount for expediting disease diagnosis. However, the development of prevailing supervised artificial intelligence algorithms is still constrained by costly and limited well-annotated Raman spectroscopy datasets. Furthermore, tackling various high-dimensional and intricate Raman spectra of pathogenic bacteria in the absence of annotations remains a formidable challenge. In this paper, we propose a concise and efficient deep clustering-based framework (RamanCluster) to achieve accurate and robust unsupervised Raman spectral identification of pathogenic bacteria without the need for any annotated data. RamanCluster is composed of a novel representation learning module and a machine learning-based clustering module, systematically enabling the extraction of robust discriminative representations and unsupervised Raman spectral identification of pathogenic bacteria. The extensive experimental results show that RamanCluster has achieved high accuracy on both Bacteria-4 and Bacteria-6, with ACC values of 77 % and 74.1 %, NMI values of 75 % and 73 %, as well as AMI values of 74.6 % and 72.6 %, respectively. Furthermore, compared with other state-of-the-art methods, RamanCluster exhibits the superior accuracy on handling various complicated pathogenic bacterial Raman spectroscopy datasets, including situations with strong noise and a wide variety of pathogenic bacterial species. Additionally, RamanCluster also demonstrates commendable robustness in these challenging scenarios. In short, RamanCluster has a promising prospect in accelerating the development of low-cost and widely applicable disease diagnosis in clinical medicine.