Mikel M. Iparraguirre

Mikel M. Iparraguirre, Iciar Alfaro, David Gonzalez et al.

We present MeshGraphNet-Transformer (MGN-T), a novel architecture that combines the global modeling capabilities of Transformers with the geometric inductive bias of MeshGraphNets, while preserving a mesh-based graph representation. MGN-T overcomes a key limitation of standard MGN, the inefficient long-range information propagation caused by iterative message passing on large, high-resolution meshes. A physics-attention Transformer serves as a global processor, updating all nodal states simultaneously while explicitly retaining node and edge attributes. By directly capturing long-range physical interactions, MGN-T eliminates the need for deep message-passing stacks or hierarchical, coarsened meshes, enabling efficient learning on high-resolution meshes with varying geometries, topologies, and boundary conditions at an industrial scale. We demonstrate that MGN-T successfully handles industrial-scale meshes for impact dynamics, a setting in which standard MGN fails due message-passing under-reaching. The method accurately models self-contact, plasticity, and multivariate outputs, including internal, phenomenological plastic variables. Moreover, MGN-T outperforms state-of-the-art approaches on classical benchmarks, achieving higher accuracy while maintaining practical efficiency, using only a fraction of the parameters required by competing baselines.

Lucas Tesan, Mikel M. Iparraguirre, David Gonzalez et al.

This paper proposes sharp lower bounds for the number of message passing iterations required in graph neural networks (GNNs) when solving partial differential equations (PDE). This significantly reduces the need for exhaustive hyperparameter tuning. Bounds are derived for the three fundamental classes of PDEs (hyperbolic, parabolic and elliptic) by relating the physical characteristics of the problem in question to the message-passing requirement of GNNs. In particular, we investigate the relationship between the physical constants of the equations governing the problem, the spatial and temporal discretisation and the message passing mechanisms in GNNs. When the number of message passing iterations is below these proposed limits, information does not propagate efficiently through the network, resulting in poor solutions, even for deep GNN architectures. In contrast, when the suggested lower bound is satisfied, the GNN parameterisation allows the model to accurately capture the underlying phenomenology, resulting in solvers of adequate accuracy. Examples are provided for four different examples of equations that show the sharpness of the proposed lower bounds.