Alexis Hocken, Sharona Huang, Eleanor Ng and Bradley D. Olsen*,
{"title":"利用反射光谱和机器学习分类技术改进聚酯生物塑料的光学分类","authors":"Alexis Hocken, Sharona Huang, Eleanor Ng and Bradley D. Olsen*, ","doi":"10.1021/acsapm.4c0191410.1021/acsapm.4c01914","DOIUrl":null,"url":null,"abstract":"<p >Several examples of bio-based, compostable polymers have reached commercialization over the past several decades, showing promise for addressing the plastics sustainability crisis. Although their composability minimizes the impact in landfills, employing these materials as single use plastics on a large scale would require exhaustive amounts of resources for crop production to meet current plastic demands. While these thermoplastics are, in principle, mechanically recyclable, the inability to effectively separate them from poly(ethylene terephthalate) impedes practical recycling programs that would enable their reuse. This work explores the potential advancement of optical sorting to enable the classification of polyester bioplastics. Near-infrared (NIR) and mid-infrared (MIR) spectral data were collected for over 500 samples to be used for machine learning classification. Four classification schemes were investigated, including random forest (RF), K nearest neighbors (kNN), and principal component analysis (PCA) coupled with both schemes (PCA-RF and PCA-kNN). Prediction accuracies >92% were demonstrated for both IR regions with the ability to further boost accuracy to >98% by implementing model confidence thresholds. Exploration of sample attributes and their impact on material classification revealed that sample color and opacity have the largest impact on classification in the NIR region, while the MIR region is unimpacted. Additionally, feature importance analysis and feature reduction were carried out, showing that a smaller feature set can be implemented in optical sorters to more efficiently scan samples using only the most informational wavelengths. Finally, synthetic Gaussian noise was introduced into the sample spectra to mimic environmental noise to demonstrate that the classification models have some tolerance to external noise.</p>","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"6 23","pages":"14300–14308 14300–14308"},"PeriodicalIF":4.7000,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Improving the Optical Sorting of Polyester Bioplastics via Reflectance Spectroscopy and Machine Learning Classification Techniques\",\"authors\":\"Alexis Hocken, Sharona Huang, Eleanor Ng and Bradley D. Olsen*, \",\"doi\":\"10.1021/acsapm.4c0191410.1021/acsapm.4c01914\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Several examples of bio-based, compostable polymers have reached commercialization over the past several decades, showing promise for addressing the plastics sustainability crisis. Although their composability minimizes the impact in landfills, employing these materials as single use plastics on a large scale would require exhaustive amounts of resources for crop production to meet current plastic demands. While these thermoplastics are, in principle, mechanically recyclable, the inability to effectively separate them from poly(ethylene terephthalate) impedes practical recycling programs that would enable their reuse. This work explores the potential advancement of optical sorting to enable the classification of polyester bioplastics. Near-infrared (NIR) and mid-infrared (MIR) spectral data were collected for over 500 samples to be used for machine learning classification. Four classification schemes were investigated, including random forest (RF), K nearest neighbors (kNN), and principal component analysis (PCA) coupled with both schemes (PCA-RF and PCA-kNN). Prediction accuracies >92% were demonstrated for both IR regions with the ability to further boost accuracy to >98% by implementing model confidence thresholds. Exploration of sample attributes and their impact on material classification revealed that sample color and opacity have the largest impact on classification in the NIR region, while the MIR region is unimpacted. Additionally, feature importance analysis and feature reduction were carried out, showing that a smaller feature set can be implemented in optical sorters to more efficiently scan samples using only the most informational wavelengths. Finally, synthetic Gaussian noise was introduced into the sample spectra to mimic environmental noise to demonstrate that the classification models have some tolerance to external noise.</p>\",\"PeriodicalId\":7,\"journal\":{\"name\":\"ACS Applied Polymer Materials\",\"volume\":\"6 23\",\"pages\":\"14300–14308 14300–14308\"},\"PeriodicalIF\":4.7000,\"publicationDate\":\"2024-11-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Applied Polymer Materials\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acsapm.4c01914\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Applied Polymer Materials","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acsapm.4c01914","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Improving the Optical Sorting of Polyester Bioplastics via Reflectance Spectroscopy and Machine Learning Classification Techniques
Several examples of bio-based, compostable polymers have reached commercialization over the past several decades, showing promise for addressing the plastics sustainability crisis. Although their composability minimizes the impact in landfills, employing these materials as single use plastics on a large scale would require exhaustive amounts of resources for crop production to meet current plastic demands. While these thermoplastics are, in principle, mechanically recyclable, the inability to effectively separate them from poly(ethylene terephthalate) impedes practical recycling programs that would enable their reuse. This work explores the potential advancement of optical sorting to enable the classification of polyester bioplastics. Near-infrared (NIR) and mid-infrared (MIR) spectral data were collected for over 500 samples to be used for machine learning classification. Four classification schemes were investigated, including random forest (RF), K nearest neighbors (kNN), and principal component analysis (PCA) coupled with both schemes (PCA-RF and PCA-kNN). Prediction accuracies >92% were demonstrated for both IR regions with the ability to further boost accuracy to >98% by implementing model confidence thresholds. Exploration of sample attributes and their impact on material classification revealed that sample color and opacity have the largest impact on classification in the NIR region, while the MIR region is unimpacted. Additionally, feature importance analysis and feature reduction were carried out, showing that a smaller feature set can be implemented in optical sorters to more efficiently scan samples using only the most informational wavelengths. Finally, synthetic Gaussian noise was introduced into the sample spectra to mimic environmental noise to demonstrate that the classification models have some tolerance to external noise.
期刊介绍:
ACS Applied Polymer Materials is an interdisciplinary journal publishing original research covering all aspects of engineering, chemistry, physics, and biology relevant to applications of polymers.
The journal is devoted to reports of new and original experimental and theoretical research of an applied nature that integrates fundamental knowledge in the areas of materials, engineering, physics, bioscience, polymer science and chemistry into important polymer applications. The journal is specifically interested in work that addresses relationships among structure, processing, morphology, chemistry, properties, and function as well as work that provide insights into mechanisms critical to the performance of the polymer for applications.