Machine learning-assisted Raman spectroscopy for enhanced plastic identification

IF 4.6 2区 化学 Q1 SPECTROSCOPY
Szymon Wójcik , Magdalena Król , Paweł Stoch
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Abstract

The escalating global issue of plastic waste, with over 380 million tons produced annually and recycling rates at a mere 9 %, necessitates more effective identification and sorting methods. Conventional approaches struggle with visually similar polymers, reducing the efficiency of mechanical recycling. In this study, we aimed to develop a methodological framework for accurate plastic classification by combining machine learning with handheld Raman spectroscopy. A dataset of 3000 spectra was collected from 10 common plastic types (PET, HDPE, PVC, LDPE, PP, PS, ABS, PC, PLA, PTFE) under varied measurement conditions. Raman spectroscopy provides unique molecular fingerprints for different plastics, while machine learning enhances classification accuracy, particularly for complex mixtures or contaminated samples encountered in recycling streams.
To address the classification challenge, we proposed a branched neural network architecture (Branched PCA-Net), inspired by Deep&Wide design and operating on Principal Component Analysis (PCA) reduced spectral data. This network employs separate paths for high-, medium-, and low-variance principal components prior to final classification. The model achieved over 99 % accuracy on the test dataset, with perfect classification for 7 out of 10 plastics and high accuracy for the remaining three. Robustness was further validated on new samples measured under different conditions, confirming strong generalization capabilities.
This study provides a methodological contribution through the introduction of the Branched PCA-Net architecture, which shows high potential for spectroscopic data analysis. While not directly scalable to high-throughput sorting, the approach offers significant promise for quality control and targeted plastic identification in recycling workflows.
机器学习辅助拉曼光谱增强塑料识别。
全球每年产生的塑料垃圾超过3.8亿吨,而回收率仅为9%,日益严重的塑料垃圾问题需要更有效的识别和分类方法。传统的方法与视觉上相似的聚合物斗争,降低了机械回收的效率。在这项研究中,我们旨在通过将机器学习与手持式拉曼光谱相结合,开发一种精确塑料分类的方法框架。在不同的测量条件下,收集了10种常见塑料类型(PET、HDPE、PVC、LDPE、PP、PS、ABS、PC、PLA、PTFE)的3000个光谱数据集。拉曼光谱为不同的塑料提供了独特的分子指纹,而机器学习提高了分类的准确性,特别是对于回收流中遇到的复杂混合物或污染样品。为了解决分类难题,我们提出了一种分支神经网络架构(branched PCA- net),该架构受Deep&Wide设计的启发,并在主成分分析(PCA)简化的光谱数据上运行。该网络在最终分类之前对高、中、低方差主成分采用单独的路径。该模型在测试数据集中实现了99%以上的准确率,对10种塑料中的7种进行了完美的分类,对其余3种进行了高精度分类。在不同条件下测量的新样本上进一步验证了鲁棒性,证实了较强的泛化能力。本研究通过引入分支PCA-Net架构提供了方法上的贡献,该架构显示了光谱数据分析的巨大潜力。虽然不能直接扩展到高通量分类,但该方法为回收工作流程中的质量控制和有针对性的塑料识别提供了重要的承诺。
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来源期刊
CiteScore
8.40
自引率
11.40%
发文量
1364
审稿时长
40 days
期刊介绍: Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.
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