arXiv:2605.13218cs.LG2026-05

融合三种光谱技术,用机器学习实现早期多癌无创检测

Machine Learning-Driven Multimodal Spectroscopic Liquid Biopsy for Early Multicancer Detection

论文配图:Machine Learning-Driven Multimodal Spectroscopic Liquid Biopsy for Early Multicancer Detection
图 1 · 摘自论文原文
  • 结合红外、拉曼和荧光光谱,通过低层数据融合提取生物信息
  • 多癌检测准确率高达AUC 0.997(乳腺癌)和0.994(结直肠癌)
  • 适合癌症早筛研究者及精准医疗开发者参考

癌症是全球主要死亡原因之一,开发快速、微创、无标记且可扩展的诊断方法是现代肿瘤学的重大挑战。在此背景下,光谱液体活检作为一种有前景的替代方案应运而生,可全面表征生物体液中的生化改变。本文提出一种基于傅里叶变换红外(FTIR)、拉曼(Raman)和激发-发射矩阵(EEM)荧光光谱结合机器学习(ML)的多模态光谱液体活检框架,用于多癌检测。对乳腺癌患者、结直肠癌患者及健康对照者的血清样本进行三种光谱分析。经各模态预处理后,采用低层数据融合(LLDF)整合不同光谱测量中互补的生化信息,并使用XGBoost模型进行分类。评估了七种实验配置:三种单模态、所有两两组合的双模态以及包含FTIR、Raman和EEM的全模态方法。结果表明,尽管多个单一模态已具备高区分性能,但多模态融合提供最均衡的整体结果,在乳腺癌检测中达到0.997的ROC-AUC,结直肠癌为0.994,同时具有高度平衡的敏感性和特异性。

原文摘要 · Abstract (English)

Cancer is one of the leading causes of death worldwide, making the development of rapid, minimally invasive, label-free and scalable diagnostic strategies a major challenge in modern oncology. In this context, spectroscopic liquid biopsy has emerged as a promising alternative, as it enables the holistic characterization of biochemical alterations in biological fluids. In this work, we propose a multimodal spectroscopic liquid biopsy framework for multicancer detection based on the combination of Fourier Transform Infrared (FTIR) spectroscopy, Raman spectroscopy, and Excitation-Emission Matrix (EEM) fluorescence spectroscopy together with Machine Learning (ML) methodologies. Serum samples from breast cancer patients, colorectal cancer patients, and healthy controls were analyzed through the three spectroscopic modalities. After modality-specific preprocessing, low-level data fusion (LLDF) was employed to integrate the complementary biochemical information encoded within the different spectroscopic measurements, and classification was performed using XGBoost models. Seven experimental configurations were evaluated, including the three unimodal approaches, all pairwise bimodal configurations, and the full multimodal approach of FTIR, Raman, and EEM fluorescence. The results show that although several individual modalities achieved high discrimination performance, the multimodal fusion provided the most balanced overall results, reaching a ROC-AUC of 0.997 for breast cancer and 0.994 for colorectal cancer, together with highly balanced sensitivity and specificity values.

多癌检测光谱活检机器学习液体活检

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