The Rise of Machine Learning in Polymer Discovery
In the recent decades, with rapid development in computing power and algorithms, machine learning (ML) has exhibited its enormous potential in new polymer discovery. Herein, the history of ML is described and the basic process of ML accelerated polymer discovery is summarized. Next, the four steps i...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2023-04-01
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| Series: | Advanced Intelligent Systems |
| Subjects: | |
| Online Access: | https://doi.org/10.1002/aisy.202200243 |
| _version_ | 1797842503707131904 |
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| author | Cheng Yan Guoqiang Li |
| author_facet | Cheng Yan Guoqiang Li |
| author_sort | Cheng Yan |
| collection | DOAJ |
| description | In the recent decades, with rapid development in computing power and algorithms, machine learning (ML) has exhibited its enormous potential in new polymer discovery. Herein, the history of ML is described and the basic process of ML accelerated polymer discovery is summarized. Next, the four steps in this process are reviewed, that is, dataset selection, fingerprinting, ML framework, and new polymer generation. Finally, a couple of main challenges for ML accelerated polymer discovery is presented and the outlooks in this field are prospected. It is expected that this review can service as a useful tool for the people who just step into this field and deepen the understanding for the people who are already in this field. |
| first_indexed | 2024-04-09T16:48:59Z |
| format | Article |
| id | doaj.art-5576f0192a7147da887ebee23f94a903 |
| institution | Directory Open Access Journal |
| issn | 2640-4567 |
| language | English |
| last_indexed | 2024-04-09T16:48:59Z |
| publishDate | 2023-04-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advanced Intelligent Systems |
| spelling | doaj.art-5576f0192a7147da887ebee23f94a9032023-04-22T02:52:33ZengWileyAdvanced Intelligent Systems2640-45672023-04-0154n/an/a10.1002/aisy.202200243The Rise of Machine Learning in Polymer DiscoveryCheng Yan0Guoqiang Li1Department of Mechanical & Industrial Engineering Louisiana State University Baton Rouge LA 70803 USADepartment of Mechanical & Industrial Engineering Louisiana State University Baton Rouge LA 70803 USAIn the recent decades, with rapid development in computing power and algorithms, machine learning (ML) has exhibited its enormous potential in new polymer discovery. Herein, the history of ML is described and the basic process of ML accelerated polymer discovery is summarized. Next, the four steps in this process are reviewed, that is, dataset selection, fingerprinting, ML framework, and new polymer generation. Finally, a couple of main challenges for ML accelerated polymer discovery is presented and the outlooks in this field are prospected. It is expected that this review can service as a useful tool for the people who just step into this field and deepen the understanding for the people who are already in this field.https://doi.org/10.1002/aisy.202200243machine learningmaterial discoverypolymers |
| spellingShingle | Cheng Yan Guoqiang Li The Rise of Machine Learning in Polymer Discovery Advanced Intelligent Systems machine learning material discovery polymers |
| title | The Rise of Machine Learning in Polymer Discovery |
| title_full | The Rise of Machine Learning in Polymer Discovery |
| title_fullStr | The Rise of Machine Learning in Polymer Discovery |
| title_full_unstemmed | The Rise of Machine Learning in Polymer Discovery |
| title_short | The Rise of Machine Learning in Polymer Discovery |
| title_sort | rise of machine learning in polymer discovery |
| topic | machine learning material discovery polymers |
| url | https://doi.org/10.1002/aisy.202200243 |
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