BayesOpGAN: A Bayesian-Optimized GAN Framework with Fourier-Based Evaluation for Quality-Controlled Raman Spectral Data Augmentation

Deep learning models for Raman spectral classification often overfit and generalize poorly when trained on small data sets. To overcome this limitation, we present BayesOpGAN, a generative adversarial network incorporating a Bayesian-optimized loss (BayesOpLoss) and smooth upsampling modules to produce fidelity Raman spectra from fewer than 30 samples. The quality of generated spectra is quantitatively assessed using Fourier Distance, a frequency-domain metric designed for one-dimensional signals. The framework is validated on a hybrid-quality data set from the RRUFF Raman database, where BayesOpGAN-augmented data enhance the performance of a ResNet-50 classifier. Test accuracy increases from 83.9% to 91.0%, while excessive generated data reduce performance, indicating an optimal augmentation range. Overall, BayesOpGAN provides a reliable and scalable solution for small-sample spectral data augmentation, where Fourier Distance ensures objective fidelity evaluation and generalizes well to other one-dimensional spectroscopies and biomedical sensing.

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Publication Details

Journal
Analytical Chemistry
Published
2025-12-04
DOI
https://doi.org/10.1021/acs.analchem.5c04540
Primary Topic
Spectroscopy Techniques in Biomedical and Chemical Research
Type
article
Field-Weighted Citation Impact
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article

BayesOpGAN: A Bayesian-Optimized GAN Framework with Fourier-Based Evaluation for Quality-Controlled Raman Spectral Data Augmentation

X Y Zhang, Shuqin Jiang, Dongxu Chang, Yufei Wang et al.
Analytical Chemistry
Spectroscopy Techniques in Biomedical and Chemical Research
article

BayesOpGAN: A Bayesian-Optimized GAN Framework with Fourier-Based Evaluation for Quality-Controlled Raman Spectral Data Augmentation

X Y Zhang, Shuqin Jiang, Dongxu Chang, Yufei Wang, Yulin Wang, Yong Wang, Yehui Huang
article en

Abstract

Deep learning models for Raman spectral classification often overfit and generalize poorly when trained on small data sets. To overcome this limitation, we present BayesOpGAN, a generative adversarial network incorporating a Bayesian-optimized loss (BayesOpLoss) and smooth upsampling modules to produce fidelity Raman spectra from fewer than 30 samples. The quality of generated spectra is quantitatively assessed using Fourier Distance, a frequency-domain metric designed for one-dimensional signals. The framework is validated on a hybrid-quality data set from the RRUFF Raman database, where BayesOpGAN-augmented data enhance the performance of a ResNet-50 classifier. Test accuracy increases from 83.9% to 91.0%, while excessive generated data reduce performance, indicating an optimal augmentation range. Overall, BayesOpGAN provides a reliable and scalable solution for small-sample spectral data augmentation, where Fourier Distance ensures objective fidelity evaluation and generalizes well to other one-dimensional spectroscopies and biomedical sensing.

Analytical ChemistryVol. 97(49)
Capital University (US), Capital Medical University (CN), University of Chinese Academy of Sciences (CN)
Openalex Percentile: Top 74%
Spectroscopy Techniques in Biomedical and Chemical Research
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