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  4. ANALYSIS OF MACHINE ENGINEERED REPRESENTATIONS FOR POLYMER QUANTITATIVE STRUCTURE PROPERTY PREDICTION

ANALYSIS OF MACHINE ENGINEERED REPRESENTATIONS FOR POLYMER QUANTITATIVE STRUCTURE PROPERTY PREDICTION

File(s)
Korani_cornell_0058_11626.pdf (5.17 MB)
Permanent Link(s)
https://doi.org/10.7298/ewtm-tj45
https://hdl.handle.net/1813/113029
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Cornell Theses and Dissertations
Author
Korani, Deepa
Abstract

Obtaining effective polymer representations for quantitative structure propertyprediction is a challenging task, but deep learning techniques has progressed remarkably in learning such contextual representations from unlabeled polymeric data. In the field of cheminformatics, significant advances were made in Deep Learning Architecture Transformers, but development in effective polymer representations through Transformers in the field of Polymer Informatics is limited. In my thesis, I highlight the performance of Transformer learned representations in relation to prior techniques i.e. both handcrafted and deep learning-based approaches. Next, I detail how increasing the size of the Transformer affects the downstream task performance on the Glass Transition Temperature dataset. Finally, I identify several challenges and discuss promising future research directions.

Description
62 pages
Date Issued
2022-12
Keywords
Machine Learning
•
NLP
•
Polymers
•
Transformers
Committee Chair
Yeo, Jingjie
Committee Member
Damle, Anil
Degree Discipline
Materials Science and Engineering
Degree Name
M.S., Materials Science and Engineering
Degree Level
Master of Science
Type
dissertation or thesis
Link(s) to Catalog Record
https://newcatalog.library.cornell.edu/catalog/15644054

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