Development of a machine learning-based method for the analysis of microplastics in environmental samples using µ-Raman spectroscopy

Abstract

Abstract This research project investigates the potential of machine learning for the analysis of microplastic Raman spectra in environmental samples. Based on a data set of > 64,000 Raman spectra (10.7% polymer spectra) from 47 environmental or waste water samples, two methods of deep learning (one single model and one model per class) with the Rectified Linear Unit function (ReLU) (hidden layer) as the activation function and the sigmoid function as the output layer were evaluated and compared to human-only annotation. Based on the one-model-per-class algorithm, an approach for human–machine teaming was developed. This method makes it possible to analyze microplastic (polyethylene, polypropylene, polystyrene, polyvinyl chloride, and polyethylene terephthalate) spectra with high recall (≥ 99.4%) and precision (≥ 97.1%). Compared to human-only spectra annotation, the human–machine teaming reduces the researchers’ time required per sample from several hours to less than one hour.

Keywords

• Environmental samples
• Machine learning
• Microplastics
• µ-Raman spectroscopy
• Waste water