message-passing-neural-network 18 graph-neural-networks 13 graph-neural-network 4 equivariance 3 permutation-invariance 2 particle-physics 2 quantum-chemistry 2 high-energy-physics 2 autoencoder 2 anomaly-detection 2 qm9 2 graph-convolutional-networks 2 oversquashing 2 unsupervised-learning 2 gnn 2 deep-learning 2 graph-attention-networks 2 subgraph 2 molecules 2 zinc 1 graph-isomorphism-networks 1 graph-sage 1 invariance 1 subgraphs 1 fine-tuning 1 generalization-gap 1 hessian 1 neural-network 1 compression 1 machine-learning 1 permutation-equivariant 1 pytorch 1 material-design 1 molecule-generation 1 vae 1 graphs 1 mpnn 1 quantum-chemistry-qm9 1 radio-resource-management 1 scalable-radio-resource 1 tensorflow 1 molecular-prediction 1 optimal-transport 1 torch-geometric 1 ai 1 contrastive-learning 1 few-shot-learning 1 self-supervised-learning 1 unsupervised-few-shot-learning 1 cgcnn 1 density-functional-theory 1 halide-perovskite 1 deep-neural-networks 1 lorentz-group-network 1 lorentz-transformations 1 physics 1 cell-complex-neural-networks 1 cw-networks 1 simplicial-neural-networks 1 bottleneck 1 icml 1 icml-2024 1 over-squashing 1 attention 1 computational-chemistry 1 jax 1 molecular-dynamics 1 potential 1