Copolymer Informatics with Multi-Task Deep Neural Networks.
作者： Rampi Ramprasad , Christopher Künneth , William Schertzer
DOI:
关键词:
摘要: … Advanced polymer fingerprinting and deep-learning schemes that incorporate multitask learning and meta learning are proposed. A large data set containing over 18 000 data points of …
arxiv.org
acs.org参考文章(18)
César Sequeira, Diogo Santos, None, Polymer electrolytes : fundamentals and applications Woodhead Publishing. ,(2010)
Allison R. Calhoun, Andrew J. Peacock, Polymer Chemistry: Properties and Application ,(2006)
Arun Mannodi-Kanakkithodi, Ghanshyam Pilania, Tran Doan Huan, Turab Lookman, Rampi Ramprasad, Machine Learning Strategy for Accelerated Design of Polymer Dielectrics Scientific Reports. ,vol. 6, pp. 20952- 20952 ,(2016) , 10.1038/SREP20952
Chiho Kim, Anand Chandrasekaran, Tran Doan Huan, Deya Das, Rampi Ramprasad, Polymer Genome: A Data-Powered Polymer Informatics Platform for Property Predictions Journal of Physical Chemistry C. ,vol. 122, pp. 17575- 17585 ,(2018) , 10.1021/ACS.JPCC.8B02913
Anurag Jha, Anand Chandrasekaran, Chiho Kim, Rampi Ramprasad, Impact of dataset uncertainties on machine learning model predictions: the example of polymer glass transition temperatures Modelling and Simulation in Materials Science and Engineering. ,vol. 27, pp. 024002- ,(2019) , 10.1088/1361-651X/AAF8CA
Chiho Kim, Anand Chandrasekaran, Anurag Jha, Rampi Ramprasad, Active-learning and materials design: the example of high glass transition temperature polymers MRS Communications. ,vol. 9, pp. 860- 866 ,(2019) , 10.1557/MRC.2019.78
Rampi Ramprasad, Rohit Batra, Ghanshyam Pilania, Arun Mannodi-Kanakkithodi, Chiho Kim, Machine learning in materials informatics: recent applications and prospects npj Computational Materials. ,vol. 3, pp. 54- ,(2017) , 10.1038/S41524-017-0056-5
Yarin Gal, Zoubin Ghahramani, None, Dropout as a Bayesian approximation: representing model uncertainty in deep learning international conference on machine learning. pp. 1050- 1059 ,(2016)
Abhirup Patra, Rohit Batra, Anand Chandrasekaran, Chiho Kim, Tran Doan Huan, Rampi Ramprasad, A multi-fidelity information-fusion approach to machine learn and predict polymer bandgap Computational Materials Science. ,vol. 172, pp. 109286- ,(2020) , 10.1016/J.COMMATSCI.2019.109286
Olga Kononova, Haoyan Huo, Tanjin He, Ziqin Rong, Tiago Botari, Wenhao Sun, Vahe Tshitoyan, Gerbrand Ceder, Text-mined dataset of inorganic materials synthesis recipes. Scientific Data. ,vol. 6, pp. 203- ,(2019) , 10.1038/S41597-019-0224-1