An Iterative Curve-Fitting Baseline Correction Method for Raman Spectra Driven by Neural Network.

Abstract

Baseline correction is a vital part of spectral preprocessing, especially for Raman spectra. Iterative polynomial fitting is an easy but less accurate way to find baselines compared to other methods such as wavelet transform and penalized least squares (PLS) methods. The polynomial fitting methods can also get distorted results in certain conditions. In this paper, a neural network model for detecting the trend of the baseline was proposed to improve the correction accuracy of the fitting methods. The model selects the function basis according to the baseline trend instead of using a fixed polynomial function to match the baseline for a more precise fit. We also propose a way to generate simulation data, these data can be used to train the neural network model. The model provides reliable results for real spectral data with noise. Our method provides a new idea to correct the baseline with a strange shape. In addition, we examine the limitations of conventional iterative polynomial fitting, adaptive iteratively reweighted PLS and explain why our approach surpasses these methods.