% Key papers for Physics-inspired GNNs (scime atlas, https://atlas.scime.ai). Authors are not included: add them from the paper pages. @inproceedings{neurips2020_discovering_59712, title = {{Discovering Symbolic Models from Deep Learning with Inductive Biases}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2020}, url = {https://nips.cc/virtual/2020/poster/18671}, } @inproceedings{neurips2020_multipole_60373, title = {{Multipole Graph Neural Operator for Parametric Partial Differential Equations}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2020}, url = {https://nips.cc/virtual/2020/poster/17297}, } @inproceedings{neurips2019_universal_59146, title = {{Universal Invariant and Equivariant Graph Neural Networks}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2019}, url = {https://nips.cc/virtual/2019/poster/13805}, } @inproceedings{neurips2019_hyperbolic_58381, title = {{Hyperbolic Graph Neural Networks}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2019}, url = {https://nips.cc/virtual/2019/poster/13892}, } @inproceedings{icml2019_circuit_37218, title = {{Circuit-GNN: Graph Neural Networks for Distributed Circuit Design}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2019}, url = {https://icml.cc/virtual/2019/poster/4281}, } @inproceedings{cvpr2018_surface_13628, title = {{Surface Networks}}, booktitle = {IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR)}, year = {2018}, url = {https://openaccess.thecvf.com/content_cvpr_2018/html/Kostrikov_Surface_Networks_CVPR_2018_paper.html}, } @inproceedings{icml2020_continuous_38044, title = {{Continuous Graph Neural Networks}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2020}, url = {https://icml.cc/virtual/2020/poster/6441}, } @inproceedings{icml2023_reducing_42239, title = {{Reducing SO(3) Convolutions to SO(2) for Efficient Equivariant GNNs}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2023}, url = {https://icml.cc/virtual/2023/poster/24515}, } @inproceedings{neurips2022_neural_66313, title = {{Neural Sheaf Diffusion: A Topological Perspective on Heterophily and Oversmoothing in GNNs}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2022}, url = {https://nips.cc/virtual/2022/poster/54308}, } @inproceedings{neurips2022_physics_64238, title = {{Physics-Embedded Neural Networks: Graph Neural PDE Solvers with Mixed Boundary Conditions}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2022}, url = {https://nips.cc/virtual/2022/poster/54479}, } @inproceedings{icml2019_graph_37405, title = {{Graph Element Networks: adaptive, structured computation and memory}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2019}, url = {https://icml.cc/virtual/2019/poster/3979}, } @inproceedings{icml2022_learning_40779, title = {{Learning to Solve PDE-constrained Inverse Problems with Graph Networks}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2022}, url = {https://icml.cc/virtual/2022/poster/16565}, } @inproceedings{neurips2022_on_63635, title = {{On the Robustness of Graph Neural Diffusion to Topology Perturbations}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2022}, url = {https://nips.cc/virtual/2022/poster/53396}, } @inproceedings{neurips2022_unravelling_66223, title = {{Unravelling the Performance of Physics-informed Graph Neural Networks for Dynamical Systems}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2022}, url = {https://nips.cc/virtual/2022/poster/55670}, } @inproceedings{iclr2023_contranorm_32605, title = {{ContraNorm: A Contrastive Learning Perspective on Oversmoothing and Beyond}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2023}, url = {https://iclr.cc/virtual/2023/poster/11036}, } @inproceedings{iclr2022_towards_30804, title = {{Towards Training Billion Parameter Graph Neural Networks for Atomic Simulations}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2022}, url = {https://iclr.cc/virtual/2022/poster/6800}, } @inproceedings{icml2022_graph_40639, title = {{Graph-Coupled Oscillator Networks}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2022}, url = {https://icml.cc/virtual/2022/poster/17241}, } @inproceedings{iclr2023_learning_32372, title = {{Learning rigid dynamics with face interaction graph networks}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2023}, url = {https://iclr.cc/virtual/2023/poster/10983}, } @inproceedings{icml2023_faenet_41959, title = {{FAENet: Frame Averaging Equivariant GNN for Materials Modeling}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2023}, url = {https://icml.cc/virtual/2023/poster/23593}, } @inproceedings{neurips2023_transfer_67441, title = {{Transfer learning for atomistic simulations using GNNs and kernel mean embeddings}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2023}, url = {https://nips.cc/virtual/2023/poster/72292}, } @inproceedings{iclr2024_graph_35252, title = {{Graph Neural Networks for Learning Equivariant Representations of Neural Networks}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2024}, url = {https://iclr.cc/virtual/2024/poster/17821}, } @inproceedings{icml2024_neural_44338, title = {{Neural SPH: Improved Neural Modeling of Lagrangian Fluid Dynamics}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/34114}, } @inproceedings{neurips2024_neural_73828, title = {{Neural P\$^3\$M: A Long-Range Interaction Modeling Enhancer for Geometric GNNs}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/93679}, } @inproceedings{aaai2025_dynamics_8856, title = {{Dynamics-Based Feature Augmentation of Graph Neural Networks for Variant Emergence Prediction}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/34995}, } @inproceedings{iclr2024_energy_35439, title = {{Energy-conserving equivariant GNN for elasticity of lattice architected metamaterials}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2024}, url = {https://iclr.cc/virtual/2024/poster/17634}, } @inproceedings{icml2024_quantum_44026, title = {{Quantum Positional Encodings for Graph Neural Networks}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/34426}, } @inproceedings{icml2024_graph_44594, title = {{Graph Neural PDE Solvers with Conservation and Similarity-Equivariance}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/33858}, } @inproceedings{neurips2024_compositional_72752, title = {{Compositional PAC-Bayes: Generalization of GNNs with persistence and beyond}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/94640}, } @inproceedings{neurips2024_distributed_73574, title = {{Distributed-Order Fractional Graph Operating Network}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/93910}, } @inproceedings{neurips2025_universally_77526, title = {{Universally Invariant Learning in Equivariant GNNs}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2025}, url = {https://openreview.net/forum?id=Uu7UGn5i2A}, } @inproceedings{iclr2025_phympgn_82925, title = {{PhyMPGN: Physics-encoded Message Passing Graph Network for spatiotemporal PDE systems}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2025}, url = {https://iclr.cc/virtual/2025/poster/28878}, } @inproceedings{iclr2026_rapid_84419, title = {{Rapid Training of Hamiltonian Graph Networks Using Random Features}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2026}, url = {https://openreview.net/forum?id=2T4KxtDquV}, } @inproceedings{aaai2026_pb4u_104112, title = {{Pb4U-GNet: Resolution-Adaptive Garment Simulation via Propagation-before-Update Graph Network}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2026}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/37641}, } @inproceedings{aaai2026_sheaf_106841, title = {{Sheaf Graph Neural Networks via PAC-Bayes Spectral Optimization}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2026}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/39193}, } @inproceedings{iclr2024_neural_33903, title = {{Neural Atoms: Propagating Long-range Interaction in Molecular Graphs through Efficient Communication Channel}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2024}, url = {https://iclr.cc/virtual/2024/poster/19172}, } @inproceedings{iclr2024_unleashing_35587, title = {{Unleashing the Potential of Fractional Calculus in Graph Neural Networks with FROND}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2024}, url = {https://iclr.cc/virtual/2024/poster/17486}, } @inproceedings{icml2024_predicting_43582, title = {{Predicting and Interpreting Energy Barriers of Metallic Glasses with Graph Neural Networks}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/34870}, } @inproceedings{icml2025_topology_46284, title = {{Topology-aware Neural Flux Prediction Guided by Physics}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2025}, url = {https://icml.cc/virtual/2025/poster/46276}, } @inproceedings{icml2025_graph_47461, title = {{Graph Adaptive Autoregressive Moving Average Models}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2025}, url = {https://icml.cc/virtual/2025/poster/45132}, } @inproceedings{icml2025_learning_47569, title = {{Learning the Electronic Hamiltonian of Large Atomic Structures}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2025}, url = {https://icml.cc/virtual/2025/poster/45027}, }