Self-Supervised Learning for Generic Raman Spectrum Denoising

Raman and surface-enhanced Raman scattering (SERS) spectroscopy are highly specific and sensitive optical modalities that have been extensively investigated in diverse applications. Noise reduction is demanding in the preprocessing procedure, especially for weak Raman/SERS spectra. Existing denoising methods require manual optimization of parameters, which is time-consuming and laborious and cannot always achieve satisfactory performance. Deep learning has been increasingly applied in Raman/SERS spectral denoising but usually requires massive training data, where the true labels may not exist. Aiming at these challenges, this work presents a generic Raman spectrum denoising algorithm with self-supervised learning for accurate, rapid, and robust noise reduction. A specialized network based on U-Net is established, which first extracts high-level features and then restores key peak profiles of the spectra. A subsampling strategy is proposed to refine the raw Raman spectrum and avoid the underlying biased interference. The effectiveness of the proposed approach has been validated by a broad range of spectral data, exhibiting its strong generalization ability. In the context of photosafe detection of deep-seated tumors, our method achieved signal-to-noise ratio enhancement by over 400%, which resulted in a significant increase in the limit of detection thickness from 10 to 18 cm. Our approach demonstrates superior denoising performance compared to the state-of-the-art denoising methods. The occlusion method further showed that the proposed algorithm automatically focuses on characterized peaks, enhancing the interpretability of our approach explicitly in Raman and SERS spectroscopy.

Authors

Institutions

Publication Details

Journal
Analytical Chemistry
Published
2024-10-23
DOI
https://doi.org/10.1021/acs.analchem.4c01550
Citations
20
Primary Topic
Spectroscopy Techniques in Biomedical and Chemical Research
Type
article
Field-Weighted Citation Impact
13.25

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Self-Supervised Learning for Generic Raman Spectrum Denoising

Zhou Chen, Jian Ye, Yumin Zhang, Zhewen Luo et al.
20 citations
Analytical Chemistry
Spectroscopy Techniques in Biomedical and Chemical Research
13.25
article

Self-Supervised Learning for Generic Raman Spectrum Denoising

Zhou Chen, Jian Ye, Yumin Zhang, Zhewen Luo, Chang He, Siyi Wu
article en
20 citations

Abstract

Raman and surface-enhanced Raman scattering (SERS) spectroscopy are highly specific and sensitive optical modalities that have been extensively investigated in diverse applications. Noise reduction is demanding in the preprocessing procedure, especially for weak Raman/SERS spectra. Existing denoising methods require manual optimization of parameters, which is time-consuming and laborious and cannot always achieve satisfactory performance. Deep learning has been increasingly applied in Raman/SERS spectral denoising but usually requires massive training data, where the true labels may not exist. Aiming at these challenges, this work presents a generic Raman spectrum denoising algorithm with self-supervised learning for accurate, rapid, and robust noise reduction. A specialized network based on U-Net is established, which first extracts high-level features and then restores key peak profiles of the spectra. A subsampling strategy is proposed to refine the raw Raman spectrum and avoid the underlying biased interference. The effectiveness of the proposed approach has been validated by a broad range of spectral data, exhibiting its strong generalization ability. In the context of photosafe detection of deep-seated tumors, our method achieved signal-to-noise ratio enhancement by over 400%, which resulted in a significant increase in the limit of detection thickness from 10 to 18 cm. Our approach demonstrates superior denoising performance compared to the state-of-the-art denoising methods. The occlusion method further showed that the proposed algorithm automatically focuses on characterized peaks, enhancing the interpretability of our approach explicitly in Raman and SERS spectroscopy.

Analytical ChemistryVol. 96(44)
Shanghai Jiao Tong University (CN), Renji Hospital (CN), Shanghai Cancer Institute (CN)
National Natural Science Foundation of China, Science and Technology Commission of Shanghai Municipality, Shanghai Jiao Tong University
Openalex Percentile: Top 1%
Spectroscopy Techniques in Biomedical and Chemical Research
13.25
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.