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pro vyhledávání: '"Shui, Zeren"'
Autor:
Shui, Zeren, Karypis, Petros, Karls, Daniel S., Wen, Mingjian, Manchanda, Saurav, Tadmor, Ellad B., Karypis, George
Citation intention Classification (CIC) tools classify citations by their intention (e.g., background, motivation) and assist readers in evaluating the contribution of scientific literature. Prior research has shown that pretrained language models (P
Externí odkaz:
http://arxiv.org/abs/2410.13332
Autor:
Shui, Zeren, Karls, Daniel S., Wen, Mingjian, Nikiforov, Ilia A., Tadmor, Ellad B., Karypis, George
For decades, atomistic modeling has played a crucial role in predicting the behavior of materials in numerous fields ranging from nanotechnology to drug discovery. The most accurate methods in this domain are rooted in first-principles quantum mechan
Externí odkaz:
http://arxiv.org/abs/2210.08047
Autor:
Shui, Zeren, Karypis, George
As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular graphs in
Externí odkaz:
http://arxiv.org/abs/2009.12710