computational fluid dynamics teams

Abstract: Neural operators offer an efficient data-driven approach to rapid prediction of complex automotive aerodynamic flows. However, spectral bias and other factors limit accurate reconstruction of fine-scale flow variations near complex geometries. Existing studies improve the representation and fitting of fine-scale information mainly through information extraction and training objectives. Further study is needed to determine how extracted local details can be used continually in subsequent operator computations and contribute effectively to the overall flow-field representation. We propose CIS-Transolver, a cross-layer incremental-state neural operator that extends fine-scale modeling from local information extraction to its use across layers. The method extracts fine-scale information through local multiscale analysis and encodes it as geometric moment states that are propagated and updated across layers. By combining information from previous layers with feedback to the value representations in Physics-Attention, the method allows local details to contribute continually to subsequent modeling of global physical correlations. We systematically evaluate CIS-Transolver on three public automotive aerodynamics benchmarks, ShapeNet-Car, AhmedML, and DrivAerNet++, covering surface pressure fields and volumetric pressure and velocity fields. CIS-Transolver achieves the lowest mean relative L2 error among the evaluated methods for all five prediction metrics across the three benchmarks. The relative error reductions average 8.72% across the five metrics compared with the best baseline for each metric, reaching 16.38% for ShapeNet-Car pressure prediction and 15.60% for AhmedML velocity prediction. These results provide a new approach to fine-scale flow prediction for complex geometries.

Abstract: Neural partial differential equation (PDE) surrogates trained with mean squared error (MSE) can capture dominant dynamics but often lose high-frequency information and fine-scale structures. Generative models (e.g., Flow Matching) can capture the distribution of fine-scale details, yet stochastic errors may accumulate during autoregressive rollouts and compromise long-term stability. To address these limitations, we introduce Refine and Align(ReAl), a model-agnostic plug-in that augments pretrained PDE surrogates to improve the reconstruction of high-frequency structures associated with complex physical phenomena. In the refinement stage, a conditional flow-matching model learns the residual distribution around the deterministic base prediction, recovering missing fine-scale structures while retaining the dominant dynamics. In the alignment stage, to mitigate the generative discrepancies amplified in the autoregressive rollout, particularly in chaotic systems, we generate multiple trajectories from the same input and reinforce the refiner with trajectory-level rewards, thereby achieving long-horizon dynamical alignment. Experiments across diverse surrogate architectures and PDE tasks demonstrate that ReAl consistently improves high-frequency fidelity, forecasting accuracy, and long-horizon stability.

Abstract: Homogeneous turbulent flows exhibit recurring multiscale structures across spatially separated regions, suggesting that a single flow realization may contain sufficient information to learn representations of unresolved scales. We investigate this hypothesis through an extreme super-resolution framework in which a wide-activation deep super-resolution (WDSR) network is trained exclusively on overlapping patches extracted from a single high-resolution turbulent realization. Previously unseen flow fields are reconstructed through patchwise prediction followed by Hann-window-weighted overlap-add assembly. The framework is evaluated for two-dimensional homogeneous isotropic turbulence at super-resolution factors of x32 and x64, representing severe spatial under-resolution. Despite the limited training data, the proposed approach reconstructs coherent vortical structures and recovers fine-scale features more accurately than conventional interpolation. Spectral and statistical analyses further demonstrate improved recovery of high-wavenumber energy content and multiscale flow characteristics. To assess the effectiveness of exploiting internal spatial information, we compare the proposed framework against WDSR models trained on 1, 25, 50, and 100 complete high-resolution snapshots without patch extraction. This comparison distinguishes the benefits of localized learning from those associated with increasing the number of training realizations. The results demonstrate that exploiting spatial redundancy within a single turbulent realization enables accurate reconstruction of previously unseen flow fields, even under extreme spatial under-resolution. These findings establish single-realization patch-based learning as a promising data-efficient approach for turbulent super-resolution when high-resolution training data are scarce.

Abstract: Neural surrogates for Partial Differential Equations (PDEs) are usually trained on synthetic data from numerical simulators. As models grow and scaling laws demand larger datasets, the cost of data generation often outweighs the training cost and becomes the bottleneck in the scaling quest. Unlike data in other domains, however, each PDE sample has a tunable cost that depends on its numerical fidelity, with the resulting cost-accuracy trade-off governed by known convergence rates. We exploit this property by formalizing neural surrogate training as a function of both data quantity and fidelity under a fixed data generation compute budget, treating fidelity as a fine-grained discrete spectrum rather than a binary distinction. Building on this, we show that multi-fidelity training enables Pareto-optimal error scaling against data generation compute. By using simulations at lower fidelities as an additional training signal, training on the optimal fidelity mixture matches the accuracy of high-fidelity-only training, with up to $6.3\times$ less data generation compute across our settings. We validate these findings across six PDE problems spanning structured grids and unstructured meshes, two distinct error sources (discretization and iterative-solver error), and four surrogate architectures, totaling over 7,000 training runs.

Abstract: Implicit neural representations (INRs) offer a powerful framework for modeling high-dimensional physical fields, but their training remains inefficient because evaluating dense coordinate grids is computationally expensive. Existing coordinate-pruning strategies rely on local error functions that can oversample correlated points and incur substantial overhead from full-grid error evaluation. We introduce Refined Grid Sampling (RGS), which combines stratified grid sampling, error-based refinement, and dynamic grid-resolution adjustment. This design reduces spatial redundancy without evaluating errors over the full grid. On high-resolution Navier--Stokes fields, RGS achieves higher reconstruction accuracy within a fixed wall-clock budget and reaches the accuracy of full-grid training up to $6\times$ faster than the evaluated baselines.

Abstract: We identify a mismatch between the physical role of transport fields in many PDEs and their usual role in neural operators: PDEs use them to select read coordinates, whereas neural operators typically treat them only as input values. We address this mismatch with the Green-Routed Neural Operator (GRNO), which uses the governing equation to determine where latent features are sampled. A parameter-free equation adapter evaluates the diagnostic relation and constructs a departure map whose values are the read coordinates. A multiscale encoder-decoder combines centered and routed reads of latent features to learn the complete finite-time update. Across five two- and three-dimensional PDE systems, GRNO achieves the lowest mean final relative $L^2$ error on four under 40-step autoregressive evaluation and remains competitive on Keller-Segel. Fixed-weight route interventions reveal strong dependence on direction and spatial alignment in four systems, with weak dependence in Keller-Segel. In independently trained ablations, GRNO achieves lower mean errors than variants that supply the transport field only as an input feature, substitute a learned displacement for the equation-specified route, or apply the route with a spatial misalignment, across all five systems. It also substantially outperforms directly advecting the physical state and learning the remaining update, indicating that equation-specified read coordinates provide an effective structural prior for long-horizon PDE forecasting.

Abstract: Neural surrogate models for Partial Differential Equations (PDEs) on unstructured 3D geometries are often limited by poor generalization and the high cost of generating large-scale training datasets. Consequently, pre-training on massive datasets of related PDE dynamics has emerged as a critical alternative to enhance the robustness and scalability of these models. However, this strategy is neither compute- nor data-efficient, as it relies on massive pre-computed data that is very costly to generate. In this work, we introduce a disk-data-free pre-training framework tailored to both steady-state and transient regimes. For steady-state problems, we propose a geometry-driven strategy that leverages intrinsic shape descriptors to learn representations of complex 3D domains. For transient problems, we introduce a physics-driven approach based on online generation of synthetic PDE data, enabling scalable pre-training without reliance on expensive datasets. Across multiple experiments, our approach achieves faster convergence, greater data efficiency, and higher accuracy during fine-tuning, particularly under realistic low-data regimes. This methodology provides a practical pathway toward data-efficient neural emulators for large-scale simulations.

Abstract: Machine learning surrogate models offer a promising path toward accelerating plasma turbulence simulations. We present PreVAE-Turb, a surrogate modeling framework that leverages pre-trained variational autoencoders (VAEs) from the Stable Diffusion image generation model for efficient spatial compression of turbulence fields. The pre-trained VAE is fine-tuned on turbulence data using a physics-informed loss function that includes a spectral loss operating in Fourier space to enforce spectral accuracy across scales. The VAE is combined with convolutional long short-term memory (ConvLSTM) networks to learn temporal dynamics in latent space, with a manifold consistency error metric that monitors encode--decode consistency during autoregressive rollouts. We validate the framework on two-dimensional Hasegawa-Wakatani drift-wave turbulence and extend it to gyrokinetic turbulence from the GENE code, where a four-channel adaptation simultaneously predicts electrostatic potential, density, and parallel/perpendicular temperature fluctuations without requiring architecture redesign. Once trained, inference generates thousands of time steps in seconds on a single GPU, providing substantial computational acceleration compared to direct numerical simulation. The pre-trained approach offers a transferable methodology broadly applicable to various turbulence simulation codes.

Abstract: Learning PDE operators on complex domains requires capturing interactions among fields on vertices, edges, and faces, alongside global responses shaped by topology. Existing neural operators accommodate irregular geometries but often overlook these distinct field supports or their condition-dependent coupling. We introduce the Dynamic Kuramoto--Hodge Operator (DKHO), which combines topology-constrained interactions with learned coordination. DKHO encodes conditions on their native cochain supports, evolves Kuramoto-inspired relation states through the boundary and coboundary operators that compose the Dirac operator, and decodes non-harmonic and harmonic responses in orthogonal Hodge subspaces. Topology thus determines where information can flow, while learned dynamics adapts how it is exchanged to each PDE instance. Across porous-medium Darcy flow, torus transport--diffusion, and cavity magnetostatics, DKHO-large reduces prediction error by approximately 61% on average over leading baselines, while DKHO-small remains competitive using only 11.5--24.3% as many parameters. These results suggest that coupling topological structure with adaptive dynamics provides an effective inductive bias for accurate and parameter-efficient PDE operator learning on complex geometries and topologies.

Abstract: Deep generative models are used to solve partial differential equations and model distributions of physical system states, but ensuring that the generated samples satisfy the governing laws remains challenging. Projection-based flow-matching methods enforce physics by correcting the flow from an unconstrained noise distribution. These corrections shift the generated samples away from the distribution of target solutions, especially in high noise regions. To address this limitation, we propose Source Anchoring for Physical Consistency (SAPC), a Functional Flow Matching method that encodes the physical constraints into the source noise before generation begins. We evaluate SAPC on five systems governed by partial differential equations, covering six tasks with linear and non-linear dynamics, and compare results against five baselines and the unconstrained backbone. Anchoring the source reduces the need for large corrections that drive samples onto admissible but off-distribution states, and SAPC reproduces the target distributions most accurately on every evaluated task, while matching the constraint precision of the best projection-based baselines. Ablation experiments show that this gain arises from pairing source projection with a matched training objective that regresses toward the projected source. These results identify the source distribution as a key design choice for physically consistent generative modelling.

Abstract: Autoregressive PDE foundation models enable fast full-field forecasting but accumulate errors as predicted states are recursively reused. We introduce Event-Triggered Context Healing (ETCH), which compares forecasts with measurements from 12 cylinder-surface pressure taps. When their discrepancy exceeds a threshold, pressure-conditioned hourglass diffusion transformers reconstruct the velocity--pressure context for subsequent predictions. On 43 RealPDEBench Cylinder trajectories, ETCH reduces velocity and pressure errors from 48.05 and 63.71% to 6.29 and 7.25% for DPOT, and from 74.97 and 76.91% to 5.16 and 6.84% for Poseidon-T, using the same reconstructors and threshold. For DPOT, correcting 14.56% of windows maintains errors close to reconstructing every window and supports average real-time forecasting and correction on an A100 GPU. These results show that sparse physical feedback stabilizes long autoregressive rollouts across PDE foundation models while reducing reconstruction cost.

Abstract: Physics-Informed Neural Networks (PINNs) are trained by optimising a composite objective that combines data fitting with physics-based constraints, typically resulting in a highly imbalanced multi-task optimisation problem. Under these conditions, existing optimisation strategies are affected by conflicting task gradients, leading to slow convergence and unstable training, particularly for stiff and high-frequency partial differential equations. We analyse gradient conflicts throughout training of PINNs with standard optimiser and investigate Multi-Task Deep Learning (MTDL) optimisation methods. In our analysis across four benchmark problems we observed that PINN optimisation exhibits three distinct phases in which angle- and magnitude-based gradient conflicts alternate, with only one present at a time. Building on these observations, we propose PAM-GS, a physics-aware gradient surgery method that adaptively mitigates task interference during training according to the observed conflict types. Experiments on four representative PDE benchmarks demonstrate that PAM-GS combines competitive solution accuracy with consistently strong task-balanced performance, outperforming existing methods on most problems.

Abstract: We present a two-part neural framework for forced three-dimensional incompressible Navier--Stokes flow. Part~I develops the computational forcing system. A physics-informed neural model generates structured external-force trajectories, candidates are optimized through differentiable PDE rollouts or PPO-Clip, and selected forcings are frozen and checked by independent fixed-force replay. Part~II provides the mathematical certification layer. It separates neural candidate discovery from continuum analysis, derives integrated reciprocal-vorticity criteria that imply Riccati-type growth and finite-time loss of smooth continuation, develops a validated computational-to-continuum transfer strategy, and establishes a conditional positive-probability closure for a nondegenerate neural output law. The proof is complete at the continuum level.

Abstract: We introduce TWIG (Time-Causal Wavelet Operator for Irregular Graphs), a graph-native neural operator for autoregressive surrogate modeling on static irregular graphs. TWIG transforms each node history into causal multiscale temporal features that separate recent variation from progressively slower memory components, then propagates these features through graph-wavelet operator blocks with gated pointwise channel mixing. The architecture is causal by construction and designed for closed-loop forecasting, where predictions are recursively reused as future inputs. We evaluate TWIG on three irregular-domain forecasting problems spanning regional diffusion, three-dimensional subsurface hydrology, and aerodynamic flow, with graphs ranging from 400 to 5,233 nodes and model capacities from approximately 70k to 10M parameters. TWIG achieves the lowest aggregate rollout errors on the subsurface-hydrology and regional-diffusion benchmarks and ranks second on the 10M-parameter aerodynamic-flow benchmark, behind the GPS Transformer. Across all three settings, TWIG consistently outperforms the corresponding non-time-causal Graph WNO baseline. These results demonstrate that TWIG provides an effective and scalable approach to stable autoregressive forecasting of dynamical fields on irregular graphs.

Abstract: Can attention move a shock across several cells in one update without breaking it? We develop a conservative, fixed grid finite-volume scheme in which a CFL-conditioned attention flux selects upstream information according to the transport required by the current time step. One-dimensional inviscid Burgers transport is used as the central mechanism test: the same learned flux remains reliable in the conventional small-step regime and, with a time step four times larger, preserves sharp shocks while using one stage per update. A standard fifth-order WENO scheme with third-order strong-stability-preserving Runge-Kutta time integration (WENO-5+SSP-RK3) is included alongside controlled Forward Euler comparisons to separate flux selection from time integration. The learned attention shifts upstream with the local transport reach and becomes more selective near shocks; inference-time interventions and retrained ablations show that transport-scale information and state-dependent selection contribute directly to performance. Directional two-dimensional scalar Burgers transport and the one-dimensional shallow-water system then test whether the conservation-scale-selection principle transfers beyond the original scalar setting. The results support attention as a learnable information stencil for conservative large-step shock transport, while identifying finite candidate reach and problem-dependent robustness as the present limits.