Geometry-Aware Anisotropic Boundary Correction for Aerodynamic Simulation

Operator learning for partial differential equations (PDEs) on arbitrary geometries builds fast neural surrogates for large-scale simulation. Although recent geometry-adaptive neural operators have made substantial progress, they are mainly designed for forward problems in which inputs and outputs share the same spatial domain. This limits their applicability for boundary value problems (BVPs) and inverse problems, where inputs and outputs may live on different domains. We introduce the Geometry-Adaptive Integral Autoencoder (GAIA), an operator learning model that encodes the domain boundary and the interior field distribution into geometry tokens, and conditions integral transform layers on these tokens via cross-attention, allowing the kernel to adapt locally to geometric features. This yields a single architecture for forward (including BVPs) and inverse problems on arbitrary domains in one pass, without retraining, iterative optimization, or graph construction. We evaluate GAIA on seven 2D and 3D benchmarks, four of which are new or substantially extended benchmarks for inverse problems and BVP: electrical impedance tomography, optical tomography, 3D Darcy flow on varying geometries, and a modified setting of Poisson BVP on mechanical components benchmark (MCB). GAIA sets new state-of-the-art results on every inverse and BVP task, reducing median relative $L^2$ error by 64% on airfoil flow reconstruction and 27% on EIT relative to the next best amortized method, and outperforming all baselines on every shape category of MCB. On other forward problems, GAIA is competitive with specialized solvers while maintaining stable accuracy across point resolutions on which transformer-based baselines degrade.

Rapid aerodynamic evaluation is crucial for modern vehicle design, yet existing neural operators struggle to capture intricate spatial correlations. We propose the rotary-enhanced transformer operator (RETO), a novel neural solver featuring a dual-stage spatial awareness mechanism: sinusoidal-cosine encodings for global referencing and rotary positional encodings (RoPE) for relative displacements. RoPE encodes spatial relations via unitary rotations, enforcing translation invariance and enhancing local gradient resolution. RETO is validated on ShapeNet and the high-fidelity DrivAerML benchmark. On ShapeNet, RETO achieves a relative $L_2$ error of 0.063, outperforming RegDGCNN at 0.125 and representing a 16% improvement over the Transolver baseline, which yields an error of 0.075. These performance gains are further amplified on the DrivAerML dataset, where RETO achieves relative $L_2$ errors of 0.089 for surface pressure and 0.097 for velocity. In comparison, Transolver results in errors of 0.116 and 0.121 for the same metrics, indicating that RETO achieves precision enhancements of 23% and 19%, respectively. For comprehensive comparison, the surface pressure and velocity errors for AB-UBT are 0.102 and 0.124, while RegDGCNN yields 0.235 and 0.312, respectively. Information-theoretical analysis shows that the entropy peak of RETO at 0.35 is significantly lower than that of Transolver at 0.75 under $10^4$ resolution, indicating a focused attentional mechanism capable of preserving localized gradients against global diffusion.

Geometry is central to PDE-governed systems, motivating shape optimization and inversion. Classical pipelines conduct costly forward simulation with geometry processing, requiring substantial expert effort. Neural surrogates accelerate forward analysis but do not close the loop because gradients from objectives to geometry are often unavailable. Existing differentiable methods either rely on restrictive parameterizations or unstable latent optimization driven by scalar objectives, limiting interpretability and part-wise control. To address these challenges, we propose Geometry-Aware Neural Optimizer (\textbf{\textsc{GANO}}), an end-to-end differentiable framework that unifies geometry representation, field-level prediction, and automated optimization/inversion in a single latent-space loop. \textsc{GANO} encodes shapes with an auto-decoder and stabilizes latent updates via a denoising mechanism, and a geometry-informed surrogate provides a reliable gradient pathway for geometry updates. Moreover, \textsc{GANO} supports part-wise control through null-space projection and uses remeshing-free projection to accelerate geometry processing. We further prove that denoising induces an implicit Jacobian regularization that reduces decoder sensitivity, yielding controlled deformations. Experiments on three benchmarks spanning 2D Helmholtz, 2D airfoil, and 3D vehicles show state-of-the-art accuracy and stable, controllable updates, achieving up to +55.9% lift-to-drag improvement for airfoils and ~7% drag reduction for vehicles.