论文标题
深层神经网络,用于校正生物样品傅立叶转换红外光谱中的MIE散射
Deep Neural Networks for the Correction of Mie Scattering in Fourier-Transformed Infrared Spectra of Biological Samples
论文作者
论文摘要
通常观察到从细胞或组织样品获得的红外光谱涉及一定程度的(谐振)MIE散射,通常通过非线性,非增性的光谱成分在傅立叶转化红外(FTIR)光谱测量中,这些光谱散射掩盖了生物化学相关的光谱信息。相应地,许多成功的FTIR光谱机器学习方法依赖于预处理程序,这些程序可以从红外光谱中删除散射组件。我们提出了一种使用深神经网络近似此复杂预处理函数的方法。正如我们所证明的那样,所得模型不仅是几个幅度的阶数,这对于实时临床应用很重要,而且在不同的组织类型上也强烈概括。此外,我们提出的方法克服了计算时间和校正光谱之间的权衡,而偏向人工参考谱。
Infrared spectra obtained from cell or tissue specimen have commonly been observed to involve a significant degree of (resonant) Mie scattering, which often overshadows biochemically relevant spectral information by a non-linear, non-additive spectral component in Fourier transformed infrared (FTIR) spectroscopic measurements. Correspondingly, many successful machine learning approaches for FTIR spectra have relied on preprocessing procedures that computationally remove the scattering components from an infrared spectrum. We propose an approach to approximate this complex preprocessing function using deep neural networks. As we demonstrate, the resulting model is not just several orders of magnitudes faster, which is important for real-time clinical applications, but also generalizes strongly across different tissue types. Furthermore, our proposed method overcomes the trade-off between computation time and the corrected spectrum being biased towards an artificial reference spectrum.