Self-Calibrated Dual Contrasting for Annotation-Efficient Bacteria Raman Spectroscopy Clustering and Classification

TL;DR

This paper introduces a self-calibrated dual contrasting method for bacteria Raman spectroscopy recognition that achieves high accuracy with minimal or no annotations, leveraging dual perspectives for robust, annotation-efficient classification.

Contribution

The paper proposes a novel dual contrastive learning approach with self-calibration for Raman spectroscopy recognition, reducing annotation requirements significantly.

Findings

Achieves robust recognition with only 5-10% labeled data.

Performs effectively under unsupervised and semi-supervised conditions.

Validated on three large-scale bacterial datasets.

Abstract

Raman scattering is based on molecular vibration spectroscopy and provides a powerful technology for pathogenic bacteria diagnosis using the unique molecular fingerprint information of a substance. The integration of deep learning technology has significantly improved the efficiency and accuracy of intelligent Raman spectroscopy (RS) recognition. However, the current RS recognition methods based on deep neural networks still require the annotation of a large amount of spectral data, which is labor-intensive. This paper presents a novel annotation-efficient Self-Calibrated Dual Contrasting (SCDC) method for RS recognition that operates effectively with few or no annotation. Our core motivation is to represent the spectrum from two different perspectives in two distinct subspaces: embedding and category. The embedding perspective captures instance-level information, while the category perspective reflects category-level information. Accordingly, we have implemented a dual contrastive learning approach from two perspectives to obtain discriminative representations, which are applicable for Raman spectroscopy recognition under both unsupervised and semi-supervised learning conditions. Furthermore, a self-calibration mechanism is proposed to enhance robustness. Validation of the identification task on three large-scale bacterial Raman spectroscopy datasets demonstrates that our SCDC method achieves robust recognition performance with very few (5$\%$ or 10$\%$) or no annotations, highlighting the potential of the proposed method for biospectral identification in annotation-efficient clinical scenarios.