C&EN

ML-PLA: Enhancing Protein–Ligand Binding Affinity Prediction with Microenvironment and Long-Range Interaction-Aware Graph Neural Networks

School of Computer Science and Artificial Intelligence, Wuhan Textile University, Wuhan, Hubei 430200, China ...
IEEE

Rotation- and Permutation-Equivariant Quantum Graph Neural Network for 3D Graph Data

Abstract: Equivariant quantum graph neural networks (EQGNNs) offer a potentially powerful method to process graph data. However, existing EQGNN models only consider the permutation symmetry of graphs, ...
IEEE

ICGNN: Graph Neural Network Enabled Scalable Beamforming for MISO Interference Channels

Abstract: This paper investigates the graph neural network (GNN)-enabled beamforming design for interference channels. We propose a model termed interference channel GNN (ICGNN) to solve a ...
C&EN

A Multi-Stage Graph Neural Network–Physics-Informed Neural Network (GNN–PINN) Framework for Thermodynamic Property Prediction

Department of Chemistry and Chemical Engineering, Education and Research Center for Smart Energy and Materials, Inha University, Incheon 22212, Republic of Korea ...