Search Results for author: Rui Xin

Found 3 papers, 1 papers with code

Materials Transformers Language Models for Generative Materials Design: a benchmark study

no code implementations27 Jun 2022 Nihang Fu, Lai Wei, Yuqi Song, Qinyang Li, Rui Xin, Sadman Sadeed Omee, Rongzhi Dong, Edirisuriya M. Dilanga Siriwardane, Jianjun Hu

We also find that the properties of the generated samples can be tailored by training the models with selected training sets such as high-bandgap materials.

Natural Language Processing

Active learning based generative design for the discovery of wide bandgap materials

2 code implementations28 Feb 2021 Rui Xin, Edirisuriya M. D. Siriwardane, Yuqi Song, Yong Zhao, Steph-Yves Louis, Alireza Nasiri, Jianjun Hu

Our experiments show that while active learning itself may sample chemically infeasible candidates, these samples help to train effective screening models for filtering out materials with desired properties from the hypothetical materials created by the generative model.

Active Learning Band Gap

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