Fast Quantum Property Prediction via Deeper 2D and 3D Graph Networks.
Meng LiuCong FuXuan ZhangLimei WangYaochen XieHao YuanYouzhi LuoZhao XuShenglong XuShuiwang JiPublished in: CoRR (2021)
Keyphrases
- prediction accuracy
- small world
- graph representation
- average degree
- neural network ensemble
- graph properties
- graph structure
- graph theory
- prediction model
- highly connected
- dynamic networks
- social networks
- global consistency
- prediction algorithm
- fully connected
- edge weights
- community discovery
- graph theoretic
- graph model
- prediction error
- weighted graph
- complex networks
- random walk
- social graphs
- graph structures
- degree distribution
- heterogeneous networks
- graph mining
- network analysis
- maximum flow
- protein function prediction
- anti monotonic
- network size
- protein interaction networks
- random graphs
- path length
- spanning tree
- graph databases
- directed graph
- artificial neural networks