We benchmark transport-based generative models as well as distillation-based few-step methods for the probabilistic forecasting of stochastic fluid flows, with a particular focus on performance under limited inference budgets. All methods are evaluated on a two-dimensional Kolmogorov flow with stochastic forcing. We measure one-step distributional accuracy against large simulated reference ensembles and assess whether the invariant measure is preserved during autoregressive rollouts via the enstrophy spectrum. On the stochastic task, flow matching achieves the most accurate one-step conditional distribution at high inference budgets, while the second-order exponential integrator DPM-2 is strongest at very low NFE. Few-step distillation methods are competitive with the multi-step methods and preserve the enstrophy spectrum particularly well. A deterministic control task, in which the forcing over the prediction interval is observed, separates aleatoric from epistemic uncertainty. Model performance does not translate between the two settings: the distilled models are competitive on the stochastic task but least accurate on the control task. While stochastic diffusion samplers such as DDPM better preserve the enstrophy spectrum during rollouts in the stochastic setting, deterministic samplers such as DDIM and DPM-2 show better spectral preservation in the deterministic setting.

Physics-constrained generative modeling aims to produce high-dimensional samples that are both physically consistent and distributionally accurate, a task that remains challenging due to often conflicting optimization objectives. Recent advances in flow matching and diffusion models have enabled efficient generative modeling, but integrating physical constraints often degrades generative fidelity or requires costly inference-time corrections. Our work is the first to recognize the trade-off between distributional and physical accuracy. Based on the insight of inherently conflicting objectives, we introduce a method that enforces physical constraints at training time using conflict-free gradient updates and unrolling to mitigate Jensen's gap. Our approach avoids manual loss balancing and enables simultaneous optimization of generative and physical objectives. As a consequence, physics constraints do not impede inference performance. We benchmark our method across three representative PDE benchmarks. PBFM achieves a Pareto-optimal trade-off, competitive inference speed, and generalizes to a wide range of physics-constrained generative tasks, providing a practical tool for scientific machine learning.

Analyzing unsteady fluid flows often requires access to the full distribution of possible temporal states, yet conventional PDE solvers are computationally prohibitive and learned time-stepping surrogates quickly accumulate error over long rollouts. Generative models avoid compounding error by sampling states independently, but diffusion and flow-matching methods, while accurate, are limited by the cost of many evaluations over the entire mesh. We introduce scale-autoregressive modeling (SAR) for sampling flows on unstructured meshes hierarchically from coarse to fine: it first generates a low-resolution field, then refines it by progressively sampling higher resolutions conditioned on coarser predictions. This coarse-to-fine factorization improves efficiency by concentrating computation at coarser scales, where uncertainty is greatest, while requiring fewer steps at finer scales. Across unsteady-flow benchmarks of varying complexity, SAR attains substantially lower distributional error and higher per-sample accuracy than state-of-the-art diffusion models based on multi-scale GNNs, while matching or surpassing a flow-matching Transolver (a linear-time transformer) yet running 2-7x faster than this depending on the task. Overall, SAR provides a practical tool for fast and accurate estimation of statistical flow quantities (e.g., turbulent kinetic energy and two-point correlations) in real-world settings.

Understanding how complex systems respond to perturbations, such as whether they will remain stable or what their most sensitive patterns are, is a fundamental challenge across science and engineering. Traditional stability and receptivity (resolvent) analyses are powerful but rely on known equations and linearization, limiting their use in nonlinear or poorly modeled systems. Here, we introduce a data-driven framework that automatically identifies stability properties and optimal forcing responses from observation data alone, without requiring governing equations. By training a neural network as a dynamics emulator and using automatic differentiation to extract its Jacobian, we can compute eigenmodes and resolvent modes directly from data. We demonstrate the method on both canonical chaotic models and high-dimensional fluid flows, successfully identifying dominant instability modes and input-output structures even in strongly nonlinear regimes. By leveraging a neural network-based emulator, we readily obtain a nonlinear representation of system dynamics while additionally retrieving intricate dynamical patterns that were previously difficult to resolve. This equation-free methodology establishes a broadly applicable tool for analyzing complex, high-dimensional datasets, with immediate relevance to grand challenges in fields such as climate science, neuroscience, and fluid engineering.

We present diffSPH, a novel open-source differentiable Smoothed Particle Hydrodynamics (SPH) framework developed entirely in PyTorch with GPU acceleration. diffSPH is designed centrally around differentiation to facilitate optimization and machine learning (ML) applications in Computational Fluid Dynamics (CFD), including solving inverse problems and the development of hybrid models. Its differentiable SPH core, and schemes for compressible (with shock capturing and multi-phase flows), weakly compressible (with boundary handling and free-surface flows), and incompressible physics, enable a broad range of applications. We demonstrate the framework’s unique capabilities through several applications, including addressing particle shifting via a novel, target-oriented approach by minimizing physical and regularization loss terms, a task often intractable in traditional solvers. Further examples include optimizing initial conditions and physical parameters to match target trajectories, shape optimization, implementing a solver-in-the-loop setup to emulate higher-order integration, and demonstrating gradient propagation through hundreds of simulation steps. Prioritizing readability, usability, flexibility, and extensibility, this work offers a foundational platform for the CFD community to develop and deploy novel neural networks and adjoint optimization applications. Our differentiable SPH framework is available at https://github.com/tum-pbs/diffSPH.

Physics obeys strict symmetries like rotational equivariance. However, the standard Transformer architectures widely used in physics foundation models do not enforce these constraints by construction. We introduce ReViT, a rotationally equivariant Vision Transformer framework for neural PDE solvers operating on grid-based physical fields that strictly enforces rotational equivariance. ReViT maps scalar and vector inputs into locally invariant representations derived from physics-based canonical bases, enabling the use of standard self-attention without symmetry violations. Built on a hierarchical Swin-style backbone with a precomputed reference basis pyramid, ReViT preserves equivariance across multi-scale operations. We evaluate ReViT on a wide range of 2D and 3D PDE benchmarks, such as Magnetohydrodynamics and Turbulent Channel Flows, demonstrating significant gains over state-of-the-art baselines. ReViT exhibits strong generalization, and reduces MSE by up to 65\% compared with the best-performing alternatives.

The reconstruction of unsteady flow fields from limited measurements is a challenging and crucial task for many engineering applications. Machine learning models are gaining popularity for solving this problem due to their ability to learn complex patterns from data and to generalize across diverse conditions. Among these, diffusion models have emerged as being particularly powerful for generative tasks, producing high-quality samples by iteratively refining noisy inputs. In contrast to other methods, these generative models are capable of reconstructing the smallest scales of the fluid spectrum. In this work, we introduce a novel sampling method for diffusion models that enables the reconstruction of high-fidelity samples by guiding the reverse process using the available sparse data. Moreover, we enhance the reconstructions with available physics knowledge using a conflict-free update method during training. To evaluate the effectiveness of our method, we conduct experiments on 2 and 3-dimensional turbulent flow data. Our method consistently outperforms other diffusion-based methods in predicting the fluid's structure and in pixel-wise accuracy. This study underscores the remarkable potential of diffusion models in reconstructing flow field data, paving the way for leveraging them in fluid dynamics research and applications ranging from super-resolution to reconstructions of experiments.

Machine-learning surrogate models have shown promise in accelerating aerodynamic design, yet progress toward generalizable predictors for three-dimensional wings has been limited by the scarcity and restricted diversity of existing datasets. Here, we present SuperWing, a comprehensive open dataset of transonic swept-wing aerodynamics comprising 4,239 parameterized wing geometries and 28,856 Reynolds-averaged Navier-Stokes flow field solutions. The wing shapes in the dataset are generated using a simplified yet expressive geometry parameterization that incorporates spanwise variations in airfoil shape, twist, and dihedral, allowing for an enhanced diversity without relying on perturbations of a baseline wing. All shapes are simulated under a broad range of Mach numbers and angles of attack covering the typical flight envelope. To demonstrate the dataset's utility, we benchmark two state-of-the-art Transformers that accurately predict surface flow and achieve a 2.5 drag-count error on held-out samples. Models pretrained on SuperWing further exhibit strong zero-shot generalization to complex benchmark wings such as DLR-F6 and NASA CRM, underscoring the dataset's diversity and potential for practical usage.

Regional climate information at kilometer scales is essential for assessing the impacts of climate change, but generating it with global climate models is too expensive due to their high computational costs. Machine learning models offer a fast alternative, yet they often violate basic physical laws and degrade when applied to climates outside of their training distribution. We present Physics-Constrained Adaptive Flow Matching (PC-AFM), a generative downscaling model that addresses both problems. Building on the Adaptive Flow Matching (AFM) model of Fotiadis et al. (2025) as our baseline, we add soft conservation constraints that keep the downscaled output consistent with the large-scale input for precipitation and humidity, and use gradient surgery via the ConFIG algorithm to prevent these constraints from interfering with the generative objective. We train the model on Central Europe climate data, evaluate it on a 10-time downscaling task (63km to 6.3km) over six variables (near-surface temperature, precipitation, specific humidity, surface pressure, and horizontal wind components) across a comprehensive set of metrics including bias, ensemble skill scores, power spectra, and conservation error, and test the generalization on two held-out climate regions. Within the training distribution, PC-AFM reduces conservation errors and improves ensemble calibration while matching the baseline on standard skill metrics. Outside the training distribution, where unconstrained models develop large systematic errors by extrapolating learned statistics, PC-AFM halves precipitation wet bias, reduces conservation error and improves extreme-quantile accuracy, all without any information about the target climate at inference time. These results indicate that physical consistency is a practical requirement for deploying generative downscaling models in real-world applications.

Accurate machine-learning models for aerodynamic prediction are essential for accelerating shape optimization, yet remain challenging to develop for complex three-dimensional configurations due to the high cost of generating training data. This work introduces a methodology for efficiently constructing accurate surrogate models for design purposes by first pre-training a large-scale model on diverse geometries and then fine-tuning it with a few more detailed task-specific samples. A Transformer-based architecture, AeroTransformer, is developed and tailored for large-scale training to learn aerodynamics. The methodology is evaluated on transonic wings, where the model is pre-trained on SuperWing, a dataset of nearly 30000 samples with broad geometric diversity, and subsequently fine-tuned to handle specific wing shapes perturbed from the Common Research Model. Results show that, with 450 task-specific samples, the proposed methodology achieves 0.36

In this talk, I will talk about lessons from the area of AI / deep learning for physics simulations with numerical solvers. A key focus is the utilization of solvers that are capable of providing gradient information, i.e. "differentiable simulations". These solvers seamlessly integrate with deep learning algorithms, presenting numerous advantages in arising from AI-based components in solvers, particularly in the context of flow simulations. However, the availability of gradient computation is not ubiquitous in many existing simulation environments. Avenues for computing them will be discussed, as well as fallbacks if they're not available (yet). I will show how to leverage differentiable solvers in varied applications such as closure modeling for Navier-Stokes, accelerated solving and inverse problems.

Despite decades of advancements, the simulation of fluids remains one of the most challenging areas of in scientific computing. Supported by the necessity of gradient information in deep learning, differentiable simulators have emerged as an effective tool for optimization and learning in physics simulations. In this work, we present our fluid simulator PICT, a differentiable pressure-implicit solver coded in PyTorch with Graphics-processing-unit (GPU) support. We first verify the accuracy of both the forward simulation and our derived gradients in various established benchmarks like lid-driven cavities and turbulent channel flows before we show that the gradients provided by our solver can be used to learn complicated turbulence models in 2D and 3D. We apply both supervised and unsupervised training regimes using physical priors to match flow statistics. In particular, we learn a stable sub-grid scale (SGS) model for a 3D turbulent channel flow purely based on reference statistics. The low-resolution corrector trained with our solver runs substantially faster than the highly resolved references, while keeping or even surpassing their accuracy. Finally, we give additional insights into the physical interpretation of different solver gradients, and motivate a physically informed regularization technique. To ensure that the full potential of PICT can be leveraged, it is published as open source: https://github.com/tum-pbs/PICT.

Reinforcement learning (RL) has shown promising results in active flow control (AFC), yet progress in the field remains difficult to assess as existing studies rely on heterogeneous observation and actuation schemes, numerical setups, and evaluation protocols. Current AFC benchmarks attempt to address these issues but heavily rely on external computational fluid dynamics (CFD) solvers, are not fully differentiable, and provide limited 3D and multi-agent support. To overcome these limitations, we introduce FluidGym, the first standalone, fully differentiable benchmark suite for RL in AFC. Built entirely in PyTorch on top of the GPU-accelerated PICT solver, FluidGym runs in a single Python stack, requires no external CFD software, and provides standardized evaluation protocols. We present baseline results with PPO and SAC and release all environments, datasets, and trained models as public resources. FluidGym enables systematic comparison of control methods, establishes a scalable foundation for future research in learning-based flow control, and is available at https://anonymous.4open.science/r/fluidgym (anonymized mirror of our public repository).

We introduce Tadpole, a novel foundation model for three-dimensional partial differential equations (PDEs) that addresses key challenges in transferability, scalability to high dimensionality, and multi-functionality. Tadpole is pre-trained as an autoencoder on synthetic 3D PDE data generated by an efficient online data-generation framework. This enables large-scale, diverse training without storage or I/O overhead, demonstrated by scaling to an equivalent of hundreds of terabytes of training data. By autoencoding single-channel spatial crops, Tadpole learns rich and transferable representations across heterogeneous physical systems with varying numbers of state variables and spatial resolutions. Although pre-trained solely as an autoencoder, Tadpole can be efficiently applied for multiple downstream tasks beyond reconstruction, including dynamics learning and generative modeling. For dynamics learning, we propose a novel parameter-efficient fine-tuning strategy that integrates low-rank adaptation, latent-space transformations, and reintroduced skip connections, achieving accurate temporal modeling with a minimal number of trainable parameters. Tadpole demonstrates strong fine-tuning performance across various downstream tasks, highlighting its versatility and effectiveness as a foundation model for 3D PDE learning. Source code and pre-trained weights of Tadpole are available at https://github.com/tum-pbs/tadpole

Simulating turbulent flows is crucial for a wide range of applications, and machine learning-based solvers are gaining increasing relevance. However, achieving temporal stability when generalizing to longer rollout horizons remains a persistent challenge for learned PDE solvers. In this work, we analyze if fully data-driven fluid solvers that utilize an autoregressive rollout based on conditional diffusion models are a viable option to address this challenge. We investigate accuracy, posterior sampling, spectral behavior, and temporal stability, while requiring that methods generalize to flow parameters beyond the training regime. To quantitatively and qualitatively benchmark the performance of various flow prediction approaches, three challenging 2D scenarios including incompressible and transonic flows, as well as isotropic turbulence are employed. We find that even simple diffusion-based approaches can outperform multiple established flow prediction methods in terms of accuracy and temporal stability, while being on par with state-of-the-art stabilization techniques like unrolling at training time. Such traditional architectures are superior in terms of inference speed, however, the probabilistic nature of diffusion approaches allows for inferring multiple predictions that align with the statistics of the underlying physics. Overall, our benchmark contains three carefully chosen data sets that are suitable for probabilistic evaluation alongside various established flow prediction architectures.

Surrogate models for topology optimization (TO) exhibit highly variable out-of-distribution (OOD) generalization under distribution shifts such as changing loads or boundary conditions, yet the source of this variability remains unclear. We hypothesize that OOD performance is governed by how much information the conditioning signal preserves about the adjoint sensitivity (reduced gradient) that drives classical TO. Modeling the TO pipeline as a causal Markov chain, the Data Processing Inequality establishes that, under this abstraction, the sensitivity field is an information-theoretically optimal conditioning signal for topology prediction. However, computing exact adjoint sensitivities can be expensive or unavailable in practice; we observe that certain physical fields can approximate sensitivities through monotone transformations. To formalize this, we introduce \textbf{pseudo-sensitivities} to characterize which fields enable generalization versus those that are information-poor. We then show that a sensitivity-conditioned Bernoulli flow-matching generator empirically confirms these predictions: conditioning on sensitivities yields state-of-the-art OOD performance, while increasingly distant physical fields degrade toward raw parameter conditioning. We further benchmark against competitive baselines, and find the same ordering of conditioning signals and the same OOD trends. Results hold across structural TO benchmarks under load shifts and our new CFD-TO dataset under boundary-condition shifts such as multi-outlet configurations.

We present a scalable framework for learning deterministic and probabilistic neural surrogates for high-resolution 3D physics simulations. We introduce P3D, a hybrid CNN-Transformer backbone architecture targeted for 3D physics simulations, which significantly outperforms existing architectures in terms of speed and accuracy. Our proposed network can be pretrained on small patches of the simulation domain, which can be fused to obtain a global solution, optionally guided via a scalable sequence-to-sequence model to include long-range dependencies. This setup allows for training large-scale models with reduced memory and compute requirements for high-resolution datasets. We evaluate our backbone architecture against a large set of baseline methods with the objective to simultaneously learn 14 different types of PDE dynamics in 3D. We demonstrate how to scale our model to high-resolution isotropic turbulence with spatial resolutions of up to $512^3$. Finally, we show the versatility of our architecture by training it as a diffusion model to produce probabilistic samples of highly turbulent 3D channel flows across varying Reynolds numbers, accurately capturing the underlying flow statistics.

Physics obeys strict symmetries like rotational equivariance. However, the standard Transformer architectures widely used in physics foundation models do not enforce these constraints by construction. We introduce ReViT, a rotationally equivariant Vision Transformer framework for neural PDE solvers operating on grid-based physical fields that strictly enforces rotational equivariance. ReViT maps scalar and vector inputs into locally invariant representations derived from physics-based canonical bases, enabling the use of standard self-attention without symmetry violations. Built on a hierarchical Swin-style backbone with a precomputed reference basis pyramid, ReViT preserves equivariance across multi-scale operations. We evaluate ReViT on a wide range of 2D and 3D PDE benchmarks, such as Magnetohydrodynamics and Turbulent Channel Flows, demonstrating significant gains over state-of-the-art baselines. ReViT exhibits strong generalization, and reduces MSE by up to 65\% compared with the best-performing alternatives.

The aggregation of conflicting client updates remains a fundamental bottleneck in federated learning (FL) under heterogeneous data distributions. Naive averaging can produce a global update that improves the global objective while conflicting with specific clients, causing degradation for those clients. In this work, we propose CRAFT (Conflict-Resolved Aggregation for Federated Training), a new aggregation framework that treats the global update as a geometric correction problem. We formulate aggregation as finding the update closest to a reference direction while satisfying conflict-free alignment constraints. We derive a closed-form expression for the constrained optimization problem, avoiding the computational overhead of iterative solvers. Furthermore, we use a layer-wise adaptation to address conflicts at varying feature granularities. We provide a theoretical analysis showing that CRAFT promotes a common-descent structure and mitigates conflicts through its projection geometry. Extensive experiments on heterogeneous benchmarks demonstrate that CRAFT improves the accuracy of the global model while reducing performance disparity across clients compared with state-of-the-art baselines. The source code for CRAFT is available at https://github.com/tum-pbs/CRAFT.

Conditional Diffusion Models are powerful surrogates for emulating complex spatiotemporal dynamics, yet they often fail to match the accuracy of deterministic neural emulators for high-precision tasks. In this work, we address two critical limitations of autoregressive PDE diffusion models: their sub-optimal single-step accuracy and the prohibitive computational cost of unrolled training. First, we characterize the relationship between the noise schedule, the reconstruction error reduction rate and the diffusion exposure bias, demonstrating that standard schedules lead to suboptimal reconstruction error. Leveraging this insight, we propose an Adaptive Noise Schedule framework that minimizes inference reconstruction error by dynamically constraining the model's exposure bias. We further show that this optimized schedule enables a fast Proxy Unrolled Training method to stabilize long-term rollouts without the cost of full Markov Chain sampling. Both proposed methods enable significant improvements in short-term accuracy and long-term stability over diffusion and deterministic baselines on diverse benchmarks, including forced Navier-Stokes, Kuramoto-Sivashinsky and Transonic Flow.