Polymers for Extreme Conditions Designed Using Syntax-Directed Variational Autoencoders

no code implementations • 4 Nov 2020 • Rohit Batra, Hanjun Dai, Tran Doan Huan, Lihua Chen, Chiho Kim, Will R. Gutekunst, Le Song, Rampi Ramprasad

The design/discovery of new materials is highly non-trivial owing to the near-infinite possibilities of material candidates, and multiple required property/performance objectives.

GPR

Polymer Informatics: Current Status and Critical Next Steps

no code implementations • 1 Nov 2020 • Lihua Chen, Ghanshyam Pilania, Rohit Batra, Tran Doan Huan, Chiho Kim, Christopher Kuenneth, Rampi Ramprasad

Artificial intelligence (AI) based approaches are beginning to impact several domains of human life, science and technology.

Property Prediction

Polymer Informatics with Multi-Task Learning

no code implementations • 28 Oct 2020 • Christopher Künneth, Arunkumar Chitteth Rajan, Huan Tran, Lihua Chen, Chiho Kim, Rampi Ramprasad

Compared to conventional single-task learning models (that are trained on individual property datasets independently), the multi-task approach is accurate, efficient, scalable, and amenable to transfer learning as more data on the same or different properties become available.

Multi-Task Learning