Rajat Sarkar, Venkataramana Runkana, Souvik Chakrabortycs.LG physics.comp-ph
Physical systems are often modeled by solution operators that map input fields, parameters, geometries, or past states to steady or future physical states. Learning these maps is difficult, especially for time-dependent systems that must assimilate history and remain stable under autoregressive rollout. Many neural operators work best on regular, structured grids, while realistic simulations often require unstructured meshes or point clouds to resolve complex geometries; in such settings, grid-centric representations can lose accuracy. Graph neural operators handle these domains through message passing or spectral graph filtering, but pairwise edges do not directly capture group-wise couplings among mesh cells, local neighborhoods, or conservation volumes. We introduce the Hypergraph Adaptive waveLet Operator (HALO), which lifts the domain to a hypergraph and learns in its spectral wavelet domain. HALO avoids explicit hypergraph-Laplacian eigendecomposition through Chebyshev polynomial wavelet filters, giving localized spectral kernels at linear sparse-matrix cost. Its trainable dyadic wavelet scales are regularized toward tight-frame coverage, allowing the frequency response to adapt to each PDE while encouraging stable multi-scale spectral coverage. Across 2D and 3D benchmarks on structured and unstructured discretizations, HALO achieves best or near-best accuracy among frequency-, transformer-, DeepONet-, state-space-, and graph-based baselines and sustains stable multi-step rollouts. The same model scales to industrial aerodynamic geometries: on meshes of a few hundred thousand points it is on par with, or better than, the strongest fixed-discretization transformers, while remaining resolution-equivariant.
Recent mesh-based simulation advances have, in no small part, relied on neural surrogates of two distinct families: global models that route information through a small set of latent tokens, and local models that perform message passing across mesh edges. Consistent with both classes is the inability to perform beyond low-dimensional problems and small-scale or oversimplified meshes, the simulation regimes where industrial problems reside. Our work shows this explicitly and presents a unified formulation. In global approaches, latent-token attention acts as a spatial low-pass filter, while local message passing lacks the global reach necessary to propagate information across large mesh spaces. Viewed through the error, the two operators are the halves of a multigrid cycle: one corrects errors at the lower end of the spectrum, the other at the higher end, and neither can do the other's job. We introduce Read-Write-Relax (RWR), which interleaves latent attention with message-passing relaxation under a unified formulation. The interleaved processor lowers error across the entire spectrum, making RWR the most accurate model in nearly every comparison across our industrial and public benchmarks. It is also markedly data-efficient in the scarce-data regimes, accurate on the engineering quantities of interest, and scales full-field predictions to challenging, large-scale problems.
Li Xiao, Tianyu Li, Yiye Zou +2cs.LG physics.flu-dyn
Industrial design in fields such as vehicle and aerospace engineering often relies on large-scale numerical simulations to evaluate fluid dynamics performance, which can incur substantial computational costs. Deep neural networks have shown promise in improving simulation efficiency, especially graph neural networks (GNNs), which demonstrate great potential due to their flexibility with unstructured data. However, GNNs face challenges when dealing with tasks involving complex geometries and large-scale meshes. In this paper, we propose the Multi-scale Feature Enhanced Graph Neural Network (ME-GNN) to tackle these challenges. ME-GNN employs a graph neural network with a two-step message-passing mechanism to capture detailed local features effectively. Additionally, it integrates an Attention U-Net with uniform grid discretization, enabling the extraction of both fine and coarse features. The model also utilizes K-hop sampling to construct subgraphs, facilitating efficient training on large datasets while preserving detailed local features. We evaluated ME-GNN on three benchmark datasets and achieved state-of-the-art results: a relative L2 error of 0.0196 for the velocity field and 0.0556 for the surface pressure on ShapeNet-Car, a normalized mean squared error of 0.0033 for the flow field on AirfRANS, and a relative L2 error of 0.1416 for the surface pressure on DrivAerNet.
Neural operators have become a common approach for learning PDE solution maps and accelerating numerical simulations. Transformer-based neural operators are of particular interest, since attention can learn long-range dependencies in the computational domain. However, standard attention has two major limitations when applied to PDEs: it scales quadratically with the number of computational nodes, and it lacks an explicit bias toward local interactions. To address these issues, we introduce Local Linear Transformer (LLT) for PDE operator learning. The architecture combines linear global attention with local spatial mixing, and incorporates coordinate and geometry information. We evaluate LLT on several PDE problems, including elasticity, plasticity, airfoil flow, pipe flow, and Darcy flow. The reference data for these problems span finite-element, finite-volume, and finite-difference discretizations on structured and unstructured meshes. Compared with other neural-operator and transformer baselines from prior studies, LLT achieves competitive or lower relative $L_2$ error across these problems. On matched structured discretizations, wall-clock time per training iteration is reduced by factors of 1.8 to 2.5 relative to Transolver. We also scale the approach and apply it to a three-dimensional car aerodynamics dataset with 32,186 unstructured mesh points per sample. Together, these results indicate that LLT provides an accurate and computationally efficient operator for PDE problems across discretizations, mesh types, and problem settings.
High-fidelity simulations of free-surface flows using Lagrangian methods such as the Particle Finite Element Method (PFEM) are computationally demanding due to continuous domain updates and repeated solution of the governing equations. This challenge is further amplified by non-Newtonian rheologies, where material nonlinearities increase computational cost. These limitations motivate the development of efficient surrogate models to approximate PFEM dynamics at reduced cost. While data-driven deep learning approaches are promising, a key challenge is designing models that operate on arbitrary and evolving geometries. We propose a self-attention-based neural surrogate for PFEM simulations of free-surface flows. The architecture leverages attention mechanisms to model node interactions and capture complex spatial dependencies, while preserving the PFEM mesh discretization. This provides a geometric and topological framework for remeshing and node redistribution, maintaining high-quality spatial discretization during rollouts, improving long-term stability, and enabling reconstruction of derived mechanical quantities via standard finite element operators. Two attention formulations are considered: a standard self-attention mechanism and a linear variant that reduces computational cost and improves scalability. The models are evaluated on two- and three-dimensional free-surface flow benchmarks with evolving geometries, varying material parameters, and non-Newtonian fluids. Results show accurate prediction of transient dynamics and final configurations, with significantly improved scalability. The mesh-based formulation also enables direct reconstruction of quantities such as stress fields. Overall, the framework provides an accurate and scalable surrogate strategy for PFEM simulations in engineering-scale applications.