equivariant graph neural network

Equivariant Atomic and Lattice Modeling Using Geometric Deep Learning for Crystal Structure Optimization AAAI 2026 Magnitude-Modulated Equivariant Adapter for Parameter-Efficient Fine-Tuning of Equivariant Graph Neural Networks AAAI 2026 Efficient and Scalable Density Functional Theory Hamiltonian Prediction through Adaptive Sparsity ICML 2025 Learning Equivariant Non-Local Electron Density Functionals ICLR 2025 Are High-Degree Representations Really Unnecessary in Equivariant Graph Neural Networks? NeurIPS 2024 Boosting Sample Efficiency and Generalization in Multi-agent Reinforcement Learning via Equivariance NeurIPS 2024 Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms ICLR 2024 Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation ICLR 2024 MOFDiff: Coarse-grained Diffusion for Metal-Organic Framework Design ICLR 2024 On the Generalization of Equivariant Graph Neural Networks ICML 2024 Rethinking the Benefits of Steerable Features in 3D Equivariant Graph Neural Networks ICLR 2024 SEGNO: Generalizing Equivariant Graph Neural Networks with Physical Inductive Biases ICLR 2024 A new perspective on building efficient and expressive 3D equivariant graph neural networks NeurIPS 2023 Geometric Transformer with Interatomic Positional Encoding NeurIPS 2023 Equivariant Graph Hierarchy-Based Neural Networks NeurIPS 2022