Traditional simulation of complex mechanical systems relies on numerical solvers of Partial Differential Equations (PDEs), e.g., using the Finite Element Method (FEM). The FEM solvers frequently suffer from intensive computation cost and high running time. Recent graph neural network (GNN)-based simulation models can improve running time meanwhile with acceptable accuracy. Unfortunately, they are hard to tailor GNNs for complex mechanical systems, including such disadvantages as ineffective representation and inefficient message propagation (MP). To tackle these issues, in this paper, with the proposed Up-sampling-only and Adaptive MP techniques, we develop a novel hierarchical Mesh Graph Network, namely UA-MGN, for efficient and effective mechanical simulation. Evaluation on two synthetic and one real datasets demonstrates the superiority of the UA-MGN. For example, on the Beam dataset, compared to the state-of-the-art MS-MGN, UA-MGN leads to 40.99% lower errors but using only 43.48% fewer network parameters and 4.49% fewer floating point operations (FLOPs).

We consider a Graph Neural Network (GNN) non-Markovian modeling framework to identify coarse-grained dynamical systems on graphs. Our main idea is to systematically determine the GNN architecture by inspecting how the leading term of the Mori-Zwanzig memory term depends on the coarse-grained interaction coefficients that encode the graph topology. Based on this analysis, we found that the appropriate GNN architecture that will account for $K$-hop dynamical interactions has to employ a Message Passing (MP) mechanism with at least $2K$ steps. We also deduce that the memory length required for an accurate closure model decreases as a function of the interaction strength under the assumption that the interaction strength exhibits a power law that decays as a function of the hop distance. Supporting numerical demonstrations on two examples, a heterogeneous Kuramoto oscillator model and a power system, suggest that the proposed GNN architecture can predict the coarse-grained dynamics under fixed and time-varying graph topologies.

Data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. Among them, graph neural networks (GNNs) that operate on mesh-based data are desirable because they possess inductive biases that promote physical faithfulness, but hardware limitations have precluded their application to large computational domains. We show that it is possible to train a class of GNN surrogates on 3D meshes. We scale MeshGraphNets (MGN), a subclass of GNNs for mesh-based physics modeling, via our domain decomposition approach to facilitate training that is mathematically equivalent to training on the whole domain under certain conditions. With this, we were able to train MGN on meshes with millions of nodes to generate computational fluid dynamics (CFD) simulations. Furthermore, we show how to enhance MGN via higher-order numerical integration, which can reduce MGN's error and training time. This work presents a practical path to scaling MGN for real-world applications. Understanding physical systems and engineering processes often requires extensive numerical simulations of their underlying models. However, these simulations are typically computationally expensive to generate, which can hinder their applicability to large-scale problems.