A New Workflow for Materials Discovery Bridging the Gap Between Experimental Databases and Graph Neural Networks
一种新的工作流程用于材料发现,弥合实验数据库与图神经网络之间的差距
机构 * Department of Physics, University at Buffalo, State University of New York, Buffalo, NY ; Department of Computer Science \& Engineering, University at Buffalo, State University of New York, Buffalo, NY ; Institute for Artificial Intelligence ; Data Science, University at Buffalo, State University of New York, Buffalo, NY
专题命中 工作流自动化 :workflow(title);分类 cs.LG
AI总结 本文提出了一种新的工作流程,通过将实验数据库与晶体学信息文件对齐,弥补了实验数据与图神经网络之间的差距,提升了材料属性预测的准确性和效率。
Comments 8 pages, 3 figures, 1 table, submitted to Journal of Magnetism and Magnetic Materials