论文标题

从拉曼光谱微塑料数据的光谱签名中对聚合物类型的机器学习

Machine Learning of polymer types from the spectral signature of Raman spectroscopy microplastics data

论文作者

Ramanna, Sheela, Morozovskii, Danila, Swanson, Sam, Bruneau, Jennifer

论文摘要

目前用于分析鉴定微塑料中聚合物类型的化学复合结构的工具和技术未对环境风化的微塑料进行良好校准。与尚未暴露于风化过程的微塑料样本相比,环境风化因素已经降低的微塑料可以提供的分析确定性较低。机器学习工具和技术使我们能够在微塑料分析中更好地校准研究工具以确定性。在本文中,我们调查了签名(拉曼移位值)是否足够不同,因此研究良好的机器学习(ML)算法可以学会使用相对较少的标记输入数据识别聚合物类型时,当样品未受到环境降低影响。在众所周知的存储库,塑料颗粒(SLOPP)的光谱库中训练了几种ML模型,该谱图包含拉曼移位和一系列塑料颗粒的强度结果,然后对22种聚合物类型的环境老化的塑料颗粒(SLOPP-E)进行了测试。经过广泛的预处理和增强,然后在SLOPP-E数据集上测试了训练有素的随机森林模型,从而从89%的分类准确性提高了93.81%的分类精度。

The tools and technology that are currently used to analyze chemical compound structures that identify polymer types in microplastics are not well-calibrated for environmentally weathered microplastics. Microplastics that have been degraded by environmental weathering factors can offer less analytic certainty than samples of microplastics that have not been exposed to weathering processes. Machine learning tools and techniques allow us to better calibrate the research tools for certainty in microplastics analysis. In this paper, we investigate whether the signatures (Raman shift values) are distinct enough such that well studied machine learning (ML) algorithms can learn to identify polymer types using a relatively small amount of labeled input data when the samples have not been impacted by environmental degradation. Several ML models were trained on a well-known repository, Spectral Libraries of Plastic Particles (SLOPP), that contain Raman shift and intensity results for a range of plastic particles, then tested on environmentally aged plastic particles (SloPP-E) consisting of 22 polymer types. After extensive preprocessing and augmentation, the trained random forest model was then tested on the SloPP-E dataset resulting in an improvement in classification accuracy of 93.81% from 89%.

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