Dynami-CAL GraphNet: A Physics-Informed Graph Neural Network Conserving Linear and Angular Momentum for Dynamical Systems
Vinay Sharma, Olga Fink

TL;DR
Dynami-CAL GraphNet is a physics-informed graph neural network that enforces conservation laws, ensuring physically consistent and interpretable modeling of complex multi-body dynamical systems in real-time.
Contribution
It introduces a novel GNN architecture that incorporates physics-based inductive biases to conserve linear and angular momentum, improving accuracy and interpretability.
Findings
Demonstrates stable long-term predictions in 3D granular systems
Shows effective extrapolation to unseen configurations
Handles heterogeneous interactions and external forces robustly
Abstract
Accurate, interpretable, and real-time modeling of multi-body dynamical systems is essential for predicting behaviors and inferring physical properties in natural and engineered environments. Traditional physics-based models face scalability challenges and are computationally demanding, while data-driven approaches like Graph Neural Networks (GNNs) often lack physical consistency, interpretability, and generalization. In this paper, we propose Dynami-CAL GraphNet, a Physics-Informed Graph Neural Network that integrates the learning capabilities of GNNs with physics-based inductive biases to address these limitations. Dynami-CAL GraphNet enforces pairwise conservation of linear and angular momentum for interacting nodes using edge-local reference frames that are equivariant to rotational symmetries, invariant to translations, and equivariant to node permutations. This design ensures…
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Taxonomy
TopicsModel Reduction and Neural Networks · Advanced Graph Neural Networks · Machine Learning in Materials Science
MethodsGraph Neural Network
