arXiv:2503.14567cs.LGcs.AI2025-03被引 4

用因果分析解释拉曼光谱诊断模型,定位关键特征区域。

SpecReX: Explainable AI for Raman Spectroscopy

  • 基于实际因果理论,迭代变异光谱并测试分类不变性
  • 在模拟数据中准确定位类别差异的特征区域
  • 适合医疗诊断模型可解释性研究者使用

拉曼光谱在医学诊断中的应用日益广泛,深度学习模型被用于挖掘其潜力。然而,模型的黑箱特性与医疗诊断的高敏感性及监管要求,迫切需要可解释AI工具。我们提出SpecReX,专为解释拉曼光谱设计。SpecReX基于实际因果理论,通过迭代生成变异光谱并测试其是否保持原始分类,来量化光谱中各区域的因果责任。生成的解释为责任图,突出模型做出正确分类的关键光谱区域。为验证有效性,我们构建了包含已知差异信号的复杂模拟光谱,并训练分类器。随后获取SpecReX解释并与另一可解释工具对比。结果表明,在多种条件下,SpecReX能准确定位到真实类别差异区域,为识别疾病区分特征提供了可靠基础,是证明SpecReX有效性的关键一步。

原文摘要 · Abstract (English)

Raman spectroscopy is becoming more common for medical diagnostics with deep learning models being increasingly used to leverage its full potential. However, the opaque nature of such models and the sensitivity of medical diagnosis together with regulatory requirements necessitate the need for explainable AI tools. We introduce SpecReX, specifically adapted to explaining Raman spectra. SpecReX uses the theory of actual causality to rank causal responsibility in a spectrum, quantified by iteratively refining mutated versions of the spectrum and testing if it retains the original classification. The explanations provided by SpecReX take the form of a responsibility map, highlighting spectral regions most responsible for the model to make a correct classification. To assess the validity of SpecReX, we create increasingly complex simulated spectra, in which a "ground truth" signal is seeded, to train a classifier. We then obtain SpecReX explanations and compare the results with another explainability tool. By using simulated spectra we establish that SpecReX localizes to the known differences between classes, under a number of conditions. This provides a foundation on which we can find the spectral features which differentiate disease classes. This is an important first step in proving the validity of SpecReX.

可解释AI拉曼光谱因果分析医疗诊断

Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。