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Published at November 13

Material Property Prediction with Element Attribute Knowledge Graphs and Multimodal Representation Learning

cs.LG

cond-mat.mtrl-sci

cs.AI

Released Date: November 13, 2024

Authors: Chao Huang¹, Chunyan Chen², Ling Shi², Chen Chen²

Aff.: ¹Institute of Computing Technology, Chinese Academy of Science, Beijing, China; ²Ningbo Institute of Information Technology Application, Chinese Academy of Sciences (CAS), Ningbo, China

Arxiv: http://arxiv.org/abs/2411.08414v1


Method	Form.Enery meV/atom	Band Gap (eV)
CGCNN	31	0.292
schNet	33	0.345
MEGNET	30	0.307
GATGNN	33	0.280
ALIGNN	22	0.218
Matformer	21.0	0.211
PotNet	18.8	0.204
CrysMMNet	20	0.197
iComFormer	18.26	0.193
SENet	20.05	0.177