{"title":"Machine learning-assisted Raman spectroscopy for enhanced plastic identification","authors":"Szymon Wójcik , Magdalena Król , Paweł Stoch","doi":"10.1016/j.saa.2025.126973","DOIUrl":null,"url":null,"abstract":"<div><div>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.</div><div>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.</div><div>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.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"347 ","pages":"Article 126973"},"PeriodicalIF":4.6000,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386142525012806","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
引用次数: 0
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.
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.