作者
Anurag Jha, Anand Chandrasekaran, Chiho Kim, Rampi Ramprasad
发表日期
2019/1/17
期刊
Modelling and Simulation in Materials Science and Engineering
卷号
27
期号
2
页码范围
024002
出版商
IOP Publishing
简介
Over the past decade, there has been a resurgence in the importance of data-driven techniques in materials science and engineering. The utilization of state-of-the art algorithms, coupled with the increased availability of experimental and computational data, has led to the development of surrogate models offering the promise of rapid and accurate predictions of materials' properties based solely on their structure or composition. Such machine learning (ML) models are trained on available past data and are thus susceptible to the intrinsic uncertainties/errors associate with these past measurements. The glass transition temperature (T g) of polymers, a property of paramount interest in polymer science, is one strong example of a material property that can show widespread variation in the final reported value as a result of a variety of intrinsic and extrinsic factors that occur during the experimental measurement …
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