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Kan-AAE-driven synthetic SERS spectra generation method for Precise cancer identification.

Xingen Gao1, Yang Yang1, Hongyi Zhang1

  • 1School of Opto-Electronic and Communication Engineering, Xiamen University of Technology, Xiamen, China.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
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Summary

This study introduces KAN-AAE, a novel method for generating synthetic Surface-Enhanced Raman Spectroscopy (SERS) spectra to improve cancer detection. The approach enhances machine learning model accuracy by augmenting limited patient data.

Keywords:
Adversarial AutoencodersCancer IdentificationKolmogorov-Arnold NetworksSERS Spectra Generation Method

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Area of Science:

  • Biomedical Spectroscopy
  • Machine Learning in Oncology
  • Computational Biology

Background:

  • Surface-Enhanced Raman Spectroscopy (SERS) offers a non-invasive, rapid method for cancer detection.
  • Label-free SERS requires machine learning, which is hindered by limited patient data, leading to overfitting and poor generalization.
  • Scarcity of blood serum samples is a significant challenge due to collection complexities and confidentiality concerns.

Purpose of the Study:

  • To address the data scarcity issue in SERS-based cancer detection.
  • To propose and validate a novel method for generating synthetic SERS spectra.
  • To enhance the performance of machine learning classifiers for cancer diagnosis using augmented data.

Main Methods:

  • Developed the KAN-AAE method, combining Kolmogorov-Arnold Networks (KAN) and Adversarial Autoencoders (AAE) for synthetic SERS spectra generation.
  • Collected SERS spectra from serum samples of cancer patients, other disease patients, and healthy individuals.
  • Trained the KAN-AAE model on existing SERS data and generated synthetic spectra, which were combined with real data for classifier training.

Main Results:

  • The KAN-AAE method successfully generated high-quality and reliable synthetic SERS spectra.
  • Combining synthetic and real data improved classification accuracy by 1% to 3% across various models (logistic regression, decision tree, MLP, 1D-CNN, KAN).
  • The KAN classifier achieved the highest accuracy of 95.62% when trained on the augmented dataset.

Conclusions:

  • The proposed KAN-AAE method effectively overcomes the challenge of limited data in SERS-based cancer detection.
  • Synthetic SERS spectra generation significantly enhances the accuracy and generalization ability of machine learning classifiers.
  • This approach holds promise for improving non-invasive cancer diagnosis through advanced spectroscopic and machine learning techniques.