Energy-conserving equivariant GNN for elasticity of lattice architected metamaterials

I Grega, I Batatia, G Csányi, S Karlapati… - arXiv preprint arXiv …, 2024 - arxiv.org
arXiv preprint arXiv:2401.16914, 2024arxiv.org
Lattices are architected metamaterials whose properties strongly depend on their
geometrical design. The analogy between lattices and graphs enables the use of graph
neural networks (GNNs) as a faster surrogate model compared to traditional methods such
as finite element modelling. In this work we present a higher-order GNN model trained to
predict the fourth-order stiffness tensor of periodic strut-based lattices. The key features of
the model are (i) SE (3) equivariance, and (ii) consistency with the thermodynamic law of …
Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional methods such as finite element modelling. In this work we present a higher-order GNN model trained to predict the fourth-order stiffness tensor of periodic strut-based lattices. The key features of the model are (i) SE(3) equivariance, and (ii) consistency with the thermodynamic law of conservation of energy. We compare the model to non-equivariant models based on a number of error metrics and demonstrate the benefits of the encoded equivariance and energy conservation in terms of predictive performance and reduced training requirements.
arxiv.org
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