# A Geometry-Aware Message Passing Neural Network for Modeling Aerodynamics over Airfoils

arXiv: https://arxiv.org/abs/2412.09399 · HTML: https://mlsanity.com/paper/2412.09399/

## Key facts

- Cited by 2 papers in the map (data through 14 Oct 2026).
- Builds on 22 of its 27 references that are in the map.
- First posted on arXiv 12 Dec 2024.

## Builds on (most cited first, 22 of 22)

- [Attention Is All You Need](https://mlsanity.com/paper/1706.03762/) (2017)
- [PyTorch: An Imperative Style, High-Performance Deep Learning Library](https://mlsanity.com/paper/1912.01703/) (2019)
- [Neural Message Passing for Quantum Chemistry](https://mlsanity.com/paper/1704.01212/) (2017)
- [Fourier Neural Operator for Parametric Partial Differential Equations](https://mlsanity.com/paper/2010.08895/) (2020)
- [Fast Graph Representation Learning with PyTorch Geometric](https://mlsanity.com/paper/1903.02428/) (2019)
- [DeepONet: Learning nonlinear operators for identifying differential equations based on the universal approximation theorem of operators](https://mlsanity.com/paper/1910.03193/) (2019)
- [Relational inductive biases, deep learning, and graph networks](https://mlsanity.com/paper/1806.01261/) (2018)
- [Neural Operator: Graph Kernel Network for Partial Differential Equations](https://mlsanity.com/paper/2003.03485/) (2020)
- [Directional Message Passing for Molecular Graphs](https://mlsanity.com/paper/2003.03123/) (2020)
- [Choose a Transformer: Fourier or Galerkin](https://mlsanity.com/paper/2105.14995/) (2021)
- [GNOT: A General Neural Operator Transformer for Operator Learning](https://mlsanity.com/paper/2302.14376/) (2023)
- [Transformer for Partial Differential Equations' Operator Learning](https://mlsanity.com/paper/2205.13671/) (2022)
- [Factorized Fourier Neural Operators](https://mlsanity.com/paper/2111.13802/) (2021)
- [Towards Multi-spatiotemporal-scale Generalized PDE Modeling](https://mlsanity.com/paper/2209.15616/) (2022)
- [Spherical Message Passing for 3D Graph Networks](https://mlsanity.com/paper/2102.05013/) (2021)
- [Frame Averaging for Invariant and Equivariant Network Design](https://mlsanity.com/paper/2110.03336/) (2021)
- [Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems](https://mlsanity.com/paper/2307.08423/) (2023)
- [AirfRANS: High Fidelity Computational Fluid Dynamics Dataset for Approximating Reynolds-Averaged Navier-Stokes Solutions](https://mlsanity.com/paper/2212.07564/) (2022)
- [Group Equivariant Fourier Neural Operators for Partial Differential Equations](https://mlsanity.com/paper/2306.05697/) (2023)
- [Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency](https://mlsanity.com/paper/2406.07598/) (2024)
- [MMGP: a Mesh Morphing Gaussian Process-based machine learning method for regression of physical problems under non-parameterized geometrical variability](https://mlsanity.com/paper/2305.12871/) (2023)
- [NeurIPS 2024 ML4CFD Competition: Harnessing Machine Learning for Computational Fluid Dynamics in Airfoil Design](https://mlsanity.com/paper/2407.01641/) (2024)

## Built on by (most cited first, 2 of 2)

- [A Two-Phase Deep Learning Framework for Adaptive Time-Stepping in High-Speed Flow Modeling](https://mlsanity.com/paper/2506.07969/) (2025)
- [NeurIPS 2024 ML4CFD Competition: Results and Retrospective Analysis](https://mlsanity.com/paper/2506.08516/) (2025)

## Abstract (arXiv)

Computational modeling of aerodynamics is a key problem in aerospace engineering, often involving flows interacting with solid objects such as airfoils. Deep surrogate models have emerged as purely data-driven approaches that learn direct mappings from simulation conditions to solutions based on either simulation or experimental data. Here, we consider modeling of incompressible flows over solid objects, wherein geometric structures are a key factor in determining aerodynamics. To effectively incorporate geometries, we propose a message passing scheme that efficiently and expressively integrates the airfoil shape with the mesh representation. Under this framework, we first obtain a representation of the geometry in the form of a latent graph on the airfoil surface. We subsequently propagate this representation to all collocation points through message passing on a directed, bipartite graph. We demonstrate that this framework supports efficient training by downsampling the solution mesh while avoiding distribution shifts at test time when evaluated on the full mesh. To enable our model to be able to distinguish between distinct spatial regimes of dynamics relative to the airfoil, we represent mesh points in both a leading edge and trailing edge coordinate system. We further enhance the expressiveness of our coordinate system representations by embedding our hybrid Polar-Cartesian coordinates using sinusoidal and spherical harmonics bases. We additionally find that a change of basis to canonicalize input representations with respect to inlet velocity substantially improves generalization. Altogether, these design choices lead to a purely data-driven machine learning framework known as GeoMPNN, which won the Best Student Submission award at the NeurIPS 2024 ML4CFD Competition, placing 4th overall. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).