52 citations · 52 across the 1 of their papers we have counts for
2 papers
cs.LG2020★ 52 cited
Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures
Shuo Zhang, Yang Liu, Lei Xie
The prediction of physicochemical properties from molecular structures is a crucial task for artificial intelligence aided molecular design. A growing number of Graph Neural Networ…
cs.LG2019
Improving Attention Mechanism in Graph Neural Networks via Cardinality Preservation
Shuo Zhang, Lei Xie
Graph Neural Networks (GNNs) are powerful to learn the representation of graph-structured data. Most of the GNNs use the message-passing scheme, where the embedding of a node is it…