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Johannes Brandstetter

Publications and source records attributed to Johannes Brandstetter.

At least 19 recordsLinked to original sources
arXiv2026

Compute-optimal data scaling for neural surrogates via multi-fidelity training

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.

cs.LG↗
arXiv2026

Bi-FORK: Generative Modeling of High-Dimensional Bifurcating Systems

Bifurcations are ubiquitous in physical systems, from structural buckling to fluid and climate dynamics, yet they remain largely unexplored in deep learning. At a symmetry-breaking bifurcation, a single input admits multiple equally valid solutions, violating the one-to-one assumption underlying most learned physical surrogates. We introduce Bi-FORK, a generative framework for learning these one-to-many solution maps in high-dimensional systems. Bi-FORK generates complete trajectories through latent flow matching, preserving space and time coherence, and uses repulsion-guided sampling to recover distinct solution branches in a single amortized pass. We evaluate Bi-FORK on buckling beams, mechanical metamaterials, and Allen-Cahn phase separation, spanning continuous, discrete, and field-valued bifurcations with discretizations up to 260,000 points. Bi-FORK recovers the multimodal solution structure while scaling several orders of magnitude beyond prior approaches, opening generative modeling to high-dimensional bifurcating physical systems.

cs.LG↗
arXiv2026

GyroSwin: 5D Surrogates for Gyrokinetic Plasma Turbulence Simulations

Nuclear fusion plays a pivotal role in the quest for reliable and sustainable energy production. A major roadblock to viable fusion power is understanding plasma turbulence, which significantly impairs plasma confinement, and is vital for next-generation reactor design. Plasma turbulence is governed by the nonlinear gyrokinetic equation, which evolves a 5D distribution function over time. Due to its high computational cost, reduced-order models are often employed in practice to approximate turbulent transport of energy. However, they omit nonlinear effects unique to the full 5D dynamics. To tackle this, we introduce GyroSwin, the first scalable 5D neural surrogate that can model 5D nonlinear gyrokinetic simulations, thereby capturing the physical phenomena neglected by reduced models, while providing accurate estimates of turbulent heat transport. GyroSwin (i) extends hierarchical Vision Transformers to 5D, (ii) introduces cross-attention and integration modules for latent 3D$\leftrightarrow$5D interactions between electrostatic potential fields and the distribution function, and (iii) performs channelwise mode separation inspired by nonlinear physics. We demonstrate that GyroSwin outperforms widely used reduced numerics on heat flux prediction, captures the turbulent energy cascade, and reduces the cost of fully resolved nonlinear gyrokinetics by three orders of magnitude while remaining physically verifiable. GyroSwin shows promising scaling laws, tested up to one billion parameters, paving the way for scalable neural surrogates for gyrokinetic simulations of plasma turbulence.

physics.plasm-ph↗
arXiv2026

Stochastic Counterdiabatic Driving via Biorthogonal Liouvillian Eigenmodes

Finite-time driving of stochastic systems generates excess dissipation, causing the evolving probability distribution to lag behind the instantaneous equilibrium, and consequently degrading the convergence of nonequilibrium free energy estimators based on the Jarzynski equality. Escorted free energy simulations address the non-adiabatic lag by engineering control fields $\mathbf{u}$ that eliminate the lag, enforcing the trajectory-wise equality $\mathcal{W}_\mathbf{u} = Δ\mathcal{F}$, and yielding zero-variance estimators. However, constructing the escorting field in closed form remains a challenge, approached variously through flow-field methods, targeted free energy perturbation, or learned diffeomorphisms. In this work, we construct a complementary numerical framework based on gauge-type transforms instead of generalized coordinate transforms for perfect escorting based on the exact spectral decomposition of the time-dependent Fokker-Planck generator. The biorthogonal decomposition of the Liouville operator directly yields a counterdiabatic correction whose action on the instantaneous equilibrium distribution exactly cancels the non-adiabatic lag at arbitrary driving speed in formal analogy with shortcuts-to-adiabaticity techniques such as Berry's transitionless driving for quantum systems. Numerical verification for simulations of an overdamped particle in a time-varying double-well potential and harmonic traps confirms that the counterdiabatic condition is satisfied to machine precision, with the non-adiabatic lag suppressed by roughly twelve orders of magnitude in total variation distance and sixteen orders in KL divergence relative to the unescorted dynamics. As a diagnostic, we demonstrate vanishing dissipated work $\mathcal{W}_{\text{diss}}(t) \approx 0$ for the deterministically propagated Fokker-Planck density across all protocol speeds.

physics.comp-ph↗
arXiv2026

A Shortcut to Statistically Steady-State Turbulence with Flow Matching

Many nonlinear physical systems exhibit an initial transient phase in which perturbations grow before nonlinear interactions lead to a statistically steady state. While this saturated regime is of primary interest, direct numerical simulations must resolve the full transient dynamics before reaching it, incurring significant computational cost. In Computational Fluid Dynamics, reduced-order approaches such as Large Eddy Simulation mitigate computational cost by modeling small-scale dynamics, enabling tractable approximations of turbulent flows. In contrast, for systems such as gyrokinetics, comparably effective closures for the full dynamics are not generally available, and high-fidelity simulations remain necessary. Existing surrogate modeling approaches for these systems are autoregressive, hence they suffer from accumulating error. We instead propose to bypass explicit time evolution by directly modeling the distribution of saturated states under an ergodicity assumption, stating that ensemble averages over samples are equivalent to time averages of a single long simulation. We introduce GyroFlow, a latent generative model that directly estimates steady-state statistics of gyrokinetic turbulence in 5D phase space, without resolving the transient phase. GyroFlow generates saturated snapshots from noise, conditioned on dimensionless operating parameters and outperforms autoregressive, reduced-order, and other generative approaches, while providing substantial speedup. To evaluate generation quality we propose FGyD, a distributional metric computed in the latent space of a pretrained gyrokinetic model, and show that it correlates with downstream flux accuracy and solver convergence. Finally, GyroFlow can be used to warm-start the numerical code used to produce the data.

physics.plasm-ph↗
arXiv2026

A fully GPU-based workflow for building physics emulators of hypersonic flows

The ability to resolve complex physical phenomena with high fidelity and at low computational cost is central to addressing key challenges in modern engineering. A prime example lies in hypersonic flows, where the precise prediction of the full flowfield topology, in particular with respect to shock wave location and intensity, is critical. Yet supersonic and hypersonic flows continue to be a stumbling block for traditional reduced-order models and neural emulators that struggle to capture steep gradients in flow states with physical consistency in applications of industrial relevance. To that end, we introduce a fully GPU based workflow that integrates accelerated data generation with the training of neural emulators augmented by uncertainty quantification and physics-aware refinement. Our workflow is enabled by a differentiable high-fidelity solver (JAX-Fluids) which we employ for rapid dataset creation and residual-based improvement of the neural emulator to enhance physical consistency. Building on this framework, we first present a suite of model architectures and analyze their scaling behavior to expose their strengths and shortcomings. We then show that residual-based refinement enables training on cases where only mesh and input parameters are available, substantially reducing residuals and improving physical consistency. Together, differentiable simulation and residual-based refinement yield physics emulators that remain reliable beyond their training distribution, a key requirement for deploying surrogates in real-world engineering design loops.

cs.LG↗
arXiv2026

WIND: Weather Inverse Diffusion for Zero-Shot Atmospheric Modeling

Deep learning has revolutionized weather forecasting, but many challenges remain, including climate modeling. Moreover, the current landscape remains fragmented: highly specialized models are typically trained individually for distinct tasks. To unify this landscape, we introduce WIND, a single pre-trained foundation model capable of replacing specialized baselines across a vast array of tasks. Crucially, in contrast to previous atmospheric foundation models, we achieve this without any task-specific fine-tuning. To learn a robust, task-agnostic prior of the atmosphere, we pre-train WIND with a self-supervised video reconstruction objective, utilizing an unconditional video diffusion model to iteratively reconstruct atmospheric dynamics from a noisy state. At inference, we frame diverse domain-specific problems strictly as inverse problems and solve them via posterior sampling. This unified approach allows us to tackle highly relevant weather and climate problems, including probabilistic forecasting, spatial and temporal downscaling, reconstruction of spatial fields from sparse observations and enforcing global dry air mass conservation. We further demonstrate how WIND can be applied to explore extreme weather events under prescribed out-of-distribution thermodynamic perturbations. By combining generative video modeling with inverse problem solving, WIND offers a computationally efficient alternative for AI-based atmospheric modeling.

cs.LG↗
arXiv2026

Meltdown: Circuits and Bifurcations in Point-Cloud-Conditioned 3D Diffusion Transformers

Sparse point clouds are a common input modality for 3D surface reconstruction, including in safety-critical settings such as surgical navigation and autonomous perception. Recent point-cloud-conditioned 3D diffusion transformers achieve state-of-the-art results in this regime by leveraging learned priors. We show that these models can fail catastrophically under realistic input variation, and present a mechanistic case study of why. We identify a failure mode we call Meltdown: tiny on-surface perturbations to a sparse input point cloud can fracture the reconstructed output into hundreds of disconnected pieces. Adversarial search recovers Meltdown in 89.9-100% of shapes across the two open-weight state-of-the-art architectures we study (WaLa, Make-a-Shape) on real-world datasets (GSO, SimJEB) and under both DDPM and DDIM sampling. We trace Meltdown along the forward pass: it is governed by how uniformly the points are distributed on the surface, faithfully transduced through the point-cloud encoder, and committed by a single early-denoising cross-attention write in the diffusion backbone. Diffusion-trajectory ensembles exhibit symmetry-breaking near this commit step, consistent with a bifurcation of the reverse process. Through a suite of matched-magnitude controls, we show that the variable on which the model commits is directional, concentrated in a low-rank subspace of the write's perturbation drift. Motivated by this finding, we introduce PowerRemap, a test-time control that reshapes the singular spectrum of the localized write to suppress this drift, with rescue rates of 98.3% on WaLa and 84.6% on Make-a-Shape. Together, these results link a circuit-level cross-attention mechanism to a trajectory-level account of the failure, demonstrating how mechanistic analysis can explain and guide behavior in conditional diffusion transformers.

cs.LG↗
arXiv2026

ANTIC: Adaptive Neural Temporal In-situ Compressor

The persistent storage requirements for high-resolution, spatiotemporally evolving fields governed by large-scale and high-dimensional partial differential equations (PDEs) have reached the petabyte-to-exabyte scale. Transient simulations modeling Navier-Stokes equations, magnetohydrodynamics, plasma physics, or binary black hole mergers generate data volumes that are prohibitive for modern high-performance computing (HPC) infrastructures. To address this bottleneck, we introduce ANTIC (Adaptive Neural Temporal in situ Compressor), an end-to-end in situ compression pipeline. ANTIC consists of an adaptive temporal selector tailored to high-dimensional physics that identifies and filters informative snapshots at simulation time, combined with a spatial neural compression module based on continual fine-tuning that learns residual updates between adjacent snapshots using neural fields. By operating in a single streaming pass, ANTIC enables a combined compression of temporal and spatial components and effectively alleviates the need for explicit on-disk storage of entire time-evolved trajectories. Experimental results demonstrate how storage reductions of several orders of magnitude relate to physics accuracy.

cs.LG↗
arXiv2026

gyaradax: Local Gyrokinetics JAX Code

Gyrokinetic simulations are essential for understanding and controlling turbulence in fusion plasmas, yet they are oftentimes implemented in legacy codebases, in many cases CPU-bound. These are both hard to maintain and especially incompatible with optimization and ML workflows. gyaradax is a minimal JAX/CUDA solver for local flux-tube gyrokinetics. We base our implementation on GKW (Peeters et al., 2009), but with added native GPU acceleration and automatic differentiation. We validate gyaradax against analytical cases and empirical benchmarks, achieving formal agreement and statistical parity with GKW alongside a substantial speedup. We deliberately and extensively utilized agentic workflows in this project. A key contribution is showing that coding agents, guided by human expertise, structured prompting, and measurable progress through unit testing enabled extremely fast translation of complex Fortran code, and further optimizations. Gyaradax facilitates research at the intersection of ML and plasma physics. We showcase this through practical examples in inverse problems and sensitivity analysis.

physics.plasm-ph↗
arXiv2026

Stabilizing Test-Time Adaptation of High-Dimensional Simulation Surrogates via D-Optimal Statistics

Machine learning surrogates are increasingly used in engineering to accelerate costly simulations, yet distribution shifts between training and deployment often cause severe performance degradation (e.g., unseen geometries or configurations). Test-Time Adaptation (TTA) can mitigate such shifts, but existing methods are largely developed for lower-dimensional classification with structured outputs and visually aligned input-output relationships, making them unstable for the high-dimensional, unstructured and regression problems common in simulation. We address this challenge by proposing a TTA framework based on storing maximally informative (D-optimal) statistics, which jointly enables stable adaptation and principled parameter selection at test time. When applied to pretrained simulation surrogates, our method yields up to 7% out-of-distribution improvements at negligible computational cost. To the best of our knowledge, this is the first systematic demonstration of effective TTA for high-dimensional simulation regression and generative design optimization, validated on the SIMSHIFT and EngiBench benchmarks.

cs.LG↗
arXiv2026

SIMSHIFT: A Benchmark for Adapting Neural Surrogates to Distribution Shifts

Neural surrogates for Partial Differential Equations (PDEs) often suffer significant performance degradation when evaluated on problem configurations outside their training distribution, such as new initial conditions or structural dimensions. While Unsupervised Domain Adaptation (UDA) techniques have been widely used in vision and language to generalize across domains without additional labeled data, their application to complex engineering simulations remains largely unexplored. In this work, we address this gap through two focused contributions. First, we introduce SIMSHIFT, a novel benchmark dataset and evaluation suite composed of four industrial simulation tasks spanning diverse processes and physics: hot rolling, sheet metal forming, electric motor design and heatsink design. Second, we extend established UDA methods to state-of-the-art neural surrogates and systematically evaluate them. Extensive experiments on SIMSHIFT highlight the challenges of out-of-distribution neural surrogate modeling, demonstrate the potential of UDA in simulation, and reveal open problems in achieving robust neural surrogates under distribution shifts in industrially relevant scenarios. Our codebase is available at https://github.com/psetinek/simshift

cs.LG↗
arXiv2026

Einstein Fields: A Neural Perspective To Computational General Relativity

We introduce Einstein Fields, a neural representation designed to compress computationally intensive four-dimensional numerical relativity simulations into compact implicit neural network weights. By modeling the metric, the core tensor field of general relativity, Einstein Fields enable the derivation of physical quantities via automatic differentiation. Unlike conventional neural fields (e.g., signed distance, occupancy, or radiance fields), Einstein Fields fall into the class of Neural Tensor Fields with the key difference that, when encoding the spacetime geometry into neural field representations, dynamics emerge naturally as a byproduct. Our novel implicit approach demonstrates remarkable potential, including continuum modeling of four-dimensional spacetime, mesh-agnosticity, storage efficiency, derivative accuracy, and ease of use. It achieves up to a $4,000$-fold reduction in storage memory compared to discrete representations while retaining a numerical accuracy of five to seven decimal places. Moreover, in single precision, differentiation of the Einstein Fields-parameterized metric tensor is up to five orders of magnitude more accurate compared to naive finite differencing methods. We demonstrate these properties on several canonical test beds of general relativity and numerical relativity simulation data, while also releasing an open-source JAX-based library: \href{https://github.com/AndreiB137/EinFields}{https://github.com/AndreiB137/EinFields}, taking the first steps to studying the potential of machine learning in numerical relativity.

cs.LG↗
arXiv2026

Physics-Informed Neural Compression of High-Dimensional Plasma Data

High-fidelity scientific simulations are now producing unprecedented amounts of data, creating a storage and analysis bottleneck. A single simulation can generate tremendous data volumes, often forcing researchers to discard valuable information. A prime example of this is plasma turbulence described by the gyrokinetic equations: nonlinear, multiscale, and 5D in phase space. It constitutes one of the most computationally demanding frontiers of modern science, with runs taking weeks and yielding tens of terabytes of data dumps. The increasing storage demands underscore the importance of compression. However, reconstructed snapshots do not necessarily preserve essential physical quantities. We present a spatiotemporal evaluation pipeline, accounting for structural phenomena and multi-scale transient fluctuations to assess the degree of physical fidelity. Indeed, we find that various compression techniques lack preservation of both spatial mode structure and temporal turbulence characteristics. Therefore, we explore Physics-Informed Neural Compression (PINC), which incorporates physics-informed losses tailored to gyrokinetics and enables extreme compressions ratios of over 70,000x. Entropy coding on top of PINC further pushes it to 120,000x. This direction provides a viable and scalable solution to the prohibitive storage demands of gyrokinetics, enabling post-hoc analyses that were previously infeasible.

physics.plasm-ph↗
arXiv2026

PAINT: Parallel-in-time Neural Twins for Dynamical System Reconstruction

Neural surrogates have shown great potential in simulating dynamical systems, while offering real-time capabilities. We envision Neural Twins as a progression of neural surrogates, aiming to create digital replicas of real systems. A neural twin consumes measurements at test time to update its state, thereby enabling context-specific decision-making. We argue, that a critical property of neural twins is their ability to remain on-trajectory, i.e., to stay close to the true system state over time. We introduce Parallel-in-time Neural Twins (PAINT), an architecture-agnostic family of methods for modeling dynamical systems from measurements. PAINT trains a generative neural network to model the distribution of states in parallel over time. At test time, states are predicted from measurements in a sliding window fashion. Our theoretical analysis shows that PAINT is on-trajectory, whereas autoregressive models generally are not. Empirically, we evaluate our method on a challenging two-dimensional turbulent fluid dynamics problem. The results demonstrate that PAINT stays on-trajectory and predicts system states from sparse measurements with high fidelity. These findings underscore PAINT's potential for developing neural twins that stay on-trajectory, enabling more accurate state estimation and decision-making.

cs.AI↗
arXiv2026

Going with the Speed of Sound: Pushing Neural Surrogates into Highly-turbulent Transonic Regimes

The widespread use of neural surrogates in automotive aerodynamics, enabled by datasets such as DrivAerML and DrivAerNet++, has primarily focused on bluff-body flows with large wakes. Extending these methods to aerospace, particularly in the transonic regime, remains challenging due to the high level of non-linearity of compressible flows and 3D effects such as wingtip vortices. Existing aerospace datasets predominantly focus on 2D airfoils, neglecting these critical 3D phenomena. To address this gap, we present a new dataset of CFD simulations for 3D wings in the transonic regime. The dataset comprises volumetric and surface-level fields for around $30,000$ samples with unique geometry and inflow conditions. This allows computation of lift and drag coefficients, providing a foundation for data-driven aerodynamic optimization of the drag-lift Pareto front. We evaluate several state-of-the-art neural surrogates on our dataset, including Transolver and AB-UPT, focusing on their out-of-distribution (OOD) generalization over geometry and inflow variations. AB-UPT demonstrates strong performance for transonic flowfields and reproduces physically consistent drag-lift Pareto fronts even for unseen wing configurations. Our results demonstrate that AB-UPT can approximate drag-lift Pareto fronts for unseen geometries, highlighting its potential as an efficient and effective tool for rapid aerodynamic design exploration. To facilitate future research, we open-source our dataset at https://huggingface.co/datasets/EmmiAI/Emmi-Wing.

cs.CE↗
arXiv2026

Autoregressive deep learning for real-time simulation of soft tissue dynamics during virtual neurosurgery

Accurate simulation of brain deformation is a key component for developing realistic, interactive neurosurgical simulators, as complex nonlinear deformations must be captured to ensure realistic tool-tissue interactions. However, traditional numerical solvers often fall short in meeting real-time performance requirements. To overcome this, we introduce a deep learning-based surrogate model that efficiently simulates transient brain deformation caused by continuous interactions between surgical instruments and the virtual brain geometry. Building on Universal Physics Transformers, our approach operates directly on large-scale mesh data and is trained on an extensive dataset generated from nonlinear finite element simulations, covering a broad spectrum of temporal instrument-tissue interaction scenarios. To reduce the accumulation of errors in autoregressive inference, we propose a stochastic teacher forcing strategy applied during model training. Specifically, training consists of short stochastic rollouts in which the proportion of ground truth inputs is gradually decreased in favor of model-generated predictions. Our results show that the proposed surrogate model achieves accurate and efficient predictions across a range of transient brain deformation scenarios, scaling to meshes with up to 150,000 nodes. The introduced stochastic teacher forcing technique substantially improves long-term rollout stability, reducing the maximum prediction error from 6.7 mm to 3.5 mm. We further integrate the trained surrogate model into an interactive neurosurgical simulation environment, achieving runtimes below 10 ms per simulation step on consumer-grade inference hardware. Our proposed deep learning framework enables rapid, smooth and accurate biomechanical simulations of dynamic brain tissue deformation, laying the foundation for realistic surgical training environments.

cs.LG↗
arXiv2026

LaM-SLidE: Latent Space Modeling of Spatial Dynamical Systems via Linked Entities

Generative models are spearheading recent progress in deep learning, showcasing strong promise for trajectory sampling in dynamical systems as well. However, whereas latent space modeling paradigms have transformed image and video generation, similar approaches are more difficult for most dynamical systems. Such systems -- from chemical molecule structures to collective human behavior -- are described by interactions of entities, making them inherently linked to connectivity patterns, entity conservation, and the traceability of entities over time. Our approach, LaM-SLidE (Latent Space Modeling of Spatial Dynamical Systems via Linked Entities), bridges the gap between: (1) keeping the traceability of individual entities in a latent system representation, and (2) leveraging the efficiency and scalability of recent advances in image and video generation, where pre-trained encoder and decoder enable generative modeling directly in latent space. The core idea of LaM-SLidE is the introduction of identifier representations (IDs) that enable the retrieval of entity properties and entity composition from latent system representations, thus fostering traceability. Experimentally, across different domains, we show that LaM-SLidE performs favorably in terms of speed, accuracy, and generalizability. Code is available at https://github.com/ml-jku/LaM-SLidE .

cs.LG↗