Equivariant Graph Network Approximations of High-Degree Polynomials for Force Field Prediction
Fuente:
arXiv
Saved in:
| Main Authors: | Xu, Zhao, Yu, Haiyang, Bohde, Montgomery, Ji, Shuiwang |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
On the Markov Property of Neural Algorithmic Reasoning: Analyses and Methods
by: Bohde, Montgomery, et al.
Published: (2024)
by: Bohde, Montgomery, et al.
Published: (2024)
Empowering GNNs via Edge-Aware Weisfeiler-Leman Algorithm
by: Liu, Meng, et al.
Published: (2022)
by: Liu, Meng, et al.
Published: (2022)
Diagnosing Spectral Ceilings in Equivariant Neural Force Fields
by: Kim, Hyunmog
Published: (2026)
by: Kim, Hyunmog
Published: (2026)
SEGNO: Generalizing Equivariant Graph Neural Networks with Physical Inductive Biases
by: Liu, Yang, et al.
Published: (2023)
by: Liu, Yang, et al.
Published: (2023)
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
by: Yu, Haiyang, et al.
Published: (2023)
by: Yu, Haiyang, et al.
Published: (2023)
A Hierarchical Language Model For Interpretable Graph Reasoning
by: Khurana, Sambhav, et al.
Published: (2024)
by: Khurana, Sambhav, et al.
Published: (2024)
Algebraic Priors for Approximately Equivariant Networks
by: Ali, Riccardo, et al.
Published: (2025)
by: Ali, Riccardo, et al.
Published: (2025)
FlowX: Towards Explainable Graph Neural Networks via Message Flows
by: Gui, Shurui, et al.
Published: (2022)
by: Gui, Shurui, et al.
Published: (2022)
Speeding Up MACE: Low-Precision Tricks for Equivarient Force Fields
by: Benoit, Alexandre
Published: (2025)
by: Benoit, Alexandre
Published: (2025)
MARA: Continuous SE(3)-Equivariant Attention for Molecular Force Fields
by: Leonardi, Francesco, et al.
Published: (2026)
by: Leonardi, Francesco, et al.
Published: (2026)
DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra
by: Bohde, Montgomery, et al.
Published: (2025)
by: Bohde, Montgomery, et al.
Published: (2025)
Learning (Approximately) Equivariant Networks via Constrained Optimization
by: Manolache, Andrei, et al.
Published: (2025)
by: Manolache, Andrei, et al.
Published: (2025)
Active Test-Time Adaptation: Theoretical Analyses and An Algorithm
by: Gui, Shurui, et al.
Published: (2024)
by: Gui, Shurui, et al.
Published: (2024)
Convolutional Neural Networks on Graphs with Chebyshev Approximation, Revisited
by: He, Mingguo, et al.
Published: (2022)
by: He, Mingguo, et al.
Published: (2022)
Arbitrary Time Information Modeling via Polynomial Approximation for Temporal Knowledge Graph Embedding
by: Fang, Zhiyu, et al.
Published: (2024)
by: Fang, Zhiyu, et al.
Published: (2024)
Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics
by: Wu, Liming, et al.
Published: (2024)
by: Wu, Liming, et al.
Published: (2024)
Global-Aware Enhanced Spatial-Temporal Graph Recurrent Networks: A New Framework For Traffic Flow Prediction
by: Liu, Haiyang, et al.
Published: (2024)
by: Liu, Haiyang, et al.
Published: (2024)
Graph Neural Networks for Learning Equivariant Representations of Neural Networks
by: Kofinas, Miltiadis, et al.
Published: (2024)
by: Kofinas, Miltiadis, et al.
Published: (2024)
Magnitude-Modulated Equivariant Adapter for Parameter-Efficient Fine-Tuning of Equivariant Graph Neural Networks
by: Jin, Dian, et al.
Published: (2025)
by: Jin, Dian, et al.
Published: (2025)
Relaxing Continuous Constraints of Equivariant Graph Neural Networks for Physical Dynamics Learning
by: Zheng, Zinan, et al.
Published: (2024)
by: Zheng, Zinan, et al.
Published: (2024)
Efficient Prediction of SO(3)-Equivariant Hamiltonian Matrices via SO(2) Local Frames
by: Yu, Haiyang, et al.
Published: (2025)
by: Yu, Haiyang, et al.
Published: (2025)
Fast and Distributed Equivariant Graph Neural Networks by Virtual Node Learning
by: Zhang, Yuelin, et al.
Published: (2025)
by: Zhang, Yuelin, et al.
Published: (2025)
Spectro-Riemannian Graph Neural Networks
by: Grover, Karish, et al.
Published: (2025)
by: Grover, Karish, et al.
Published: (2025)
Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
by: Liao, Yi-Lun, et al.
Published: (2024)
by: Liao, Yi-Lun, et al.
Published: (2024)
Chebyshev Polynomial-Based Kolmogorov-Arnold Networks: An Efficient Architecture for Nonlinear Function Approximation
by: SS, Sidharth, et al.
Published: (2024)
by: SS, Sidharth, et al.
Published: (2024)
Conformalized Link Prediction on Graph Neural Networks
by: Zhao, Tianyi, et al.
Published: (2024)
by: Zhao, Tianyi, et al.
Published: (2024)
Multivector Neurons: Better and Faster O(n)-Equivariant Clifford Graph Neural Networks
by: Liu, Cong, et al.
Published: (2024)
by: Liu, Cong, et al.
Published: (2024)
Graph Diffusion Network for Drug-Gene Prediction
by: Wu, Jiayang, et al.
Published: (2025)
by: Wu, Jiayang, et al.
Published: (2025)
Equivariant Graph Attention Networks with Structural Motifs for Predicting Cell Line-Specific Synergistic Drug Combinations
by: Schwehr, Zachary
Published: (2024)
by: Schwehr, Zachary
Published: (2024)
Generalized Reduction to the Isotropy for Flexible Equivariant Neural Fields
by: García-Castellanos, Alejandro, et al.
Published: (2026)
by: García-Castellanos, Alejandro, et al.
Published: (2026)
Large Language-Geometry Model: When LLM meets Equivariance
by: Li, Zongzhao, et al.
Published: (2025)
by: Li, Zongzhao, et al.
Published: (2025)
Approximate Subgraph Matching with Neural Graph Representations and Reinforcement Learning
by: Li, Kaiyang, et al.
Published: (2026)
by: Li, Kaiyang, et al.
Published: (2026)
Separation Power of Equivariant Neural Networks
by: Pacini, Marco, et al.
Published: (2024)
by: Pacini, Marco, et al.
Published: (2024)
FRIGID: Scaling Diffusion-Based Molecular Generation from Mass Spectra at Training and Inference Time
by: Bohde, Montgomery, et al.
Published: (2026)
by: Bohde, Montgomery, et al.
Published: (2026)
Approximately Equivariant Quantum Neural Network for $p4m$ Group Symmetries in Images
by: Chang, Su Yeon, et al.
Published: (2023)
by: Chang, Su Yeon, et al.
Published: (2023)
EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
by: Liao, Yi-Lun, et al.
Published: (2023)
by: Liao, Yi-Lun, et al.
Published: (2023)
Learning to Discover Regulatory Elements for Gene Expression Prediction
by: Su, Xingyu, et al.
Published: (2025)
by: Su, Xingyu, et al.
Published: (2025)
Equivariant Eikonal Neural Networks: Grid-Free, Scalable Travel-Time Prediction on Homogeneous Spaces
by: García-Castellanos, Alejandro, et al.
Published: (2025)
by: García-Castellanos, Alejandro, et al.
Published: (2025)
Categorical Equivariant Deep Learning: Category-Equivariant Neural Networks and Universal Approximation Theorems
by: Maruyama, Yoshihiro
Published: (2025)
by: Maruyama, Yoshihiro
Published: (2025)
Graph In-Context Operator Networks for Generalizable Spatiotemporal Prediction
by: Wu, Chenghan, et al.
Published: (2026)
by: Wu, Chenghan, et al.
Published: (2026)
Similar Items
-
On the Markov Property of Neural Algorithmic Reasoning: Analyses and Methods
by: Bohde, Montgomery, et al.
Published: (2024) -
Empowering GNNs via Edge-Aware Weisfeiler-Leman Algorithm
by: Liu, Meng, et al.
Published: (2022) -
Diagnosing Spectral Ceilings in Equivariant Neural Force Fields
by: Kim, Hyunmog
Published: (2026) -
SEGNO: Generalizing Equivariant Graph Neural Networks with Physical Inductive Biases
by: Liu, Yang, et al.
Published: (2023) -
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
by: Yu, Haiyang, et al.
Published: (2023)