Papers
Machine learning for physics, as it is published.
New work from arXiv on CFD surrogates, neural operators and physics-informed learning, refreshed every hour. Search it, filter by topic, or start with the papers we keep coming back to.
Papers
New work from arXiv on CFD surrogates, neural operators and physics-informed learning, refreshed every hour. Search it, filter by topic, or start with the papers we keep coming back to.
1,058 papers in CFD surrogates · newest first
cs.CV
We present CoFINN (Conservation Flux Informed Neural Networks), a physics-informed deep learning framework for predicting compressible flow fields governed by conservation laws. Unlike conventional data-driven convolutional neural networks (CNNs), which optimize only pixel-wise similarity metrics, CoFINN embeds finite-volume conservation physics directly into the training process. Unlike classical physics-informed methods which enforce differential-equation residuals at collocation points through automatic differentiation, CoFINN adopts a finite-volume perspective consistent with modern CFD methodology. CoFINN interprets CNN output fields as structured computational grids, where each pixel represents a finite-volume cell, and enforces conservation consistency through sophisticated numerical flux calculations. The framework is evaluated on transonic flow prediction around airfoils at (M=0.7, Re=6 * 10^6), including challenging conditions involving shock waves and high angles of attack. Results show that CoFINN improves aerodynamic force prediction accuracy, reducing drag prediction error by up to 34% at extreme angles of attack and by approximately 15% on average across the test set. Improvements are particularly significant in limited-data regimes, demonstrating that the conservation-based loss acts as an effective physical regularizer. The proposed approach maintains the computational efficiency advantages of CNN surrogates while significantly improving physical consistency and conservation behavior. The framework is architecture-agnostic and extensible to broader classes of conservation-law-governed physical systems.
physics.comp-ph
Machine learning has shown promise for physics applications, but integrating Python-based libraries into high-performance C++ solvers can create performance bottlenecks. We present CodeJeNN, which addresses this gap by auto-generating self-contained C++ code from trained Keras models for inference. This eliminates external dependencies through inlined functions, allowing seamless integration into existing frameworks. We describe the Keras-to-C++ workflow, supported architectures, and limitations. CodeJeNN is demonstrated through inference benchmarks against Keras (eager and optimized) and a computational fluid dynamics (CFD) simulation of a hydrogen-air mixing layer in which viscosity is modeled using a neural network, showing that the generated models integrate directly into a solver while remaining efficient and accurate.
cs.LG
Operator learning has emerged as a powerful tool for modeling complex physical systems in functional spaces. However, their neural network-based architectures make them opaque models, obscuring the reasoning behind their predictions. In this work, we introduce a self-explainable operator learning framework that overcomes this challenge by reformulating operator learning as a linear combination of generalized functional linear models expressed through integral equations. Exploiting the additive decomposability of these integral equations, we divide the input domain into subdomains and compute localized integrals to evaluate the contribution of each region to the final prediction. This decomposition enables direct interpretability where the model explains both inputs and outputs by linking specific input regions to corresponding output patterns, thereby revealing which spatial features drive predictions. We demonstrate the framework on function-to-scalar and function-to-function mappings in fluid flow problems involving blood flow and unsteady aerodynamics. The results show that the operator most often prioritizes regions with strong feature gradients, providing physically meaningful insight into the model's decision-making process. Comparisons with established post-hoc explainability methods demonstrate qualitative agreement while highlighting the key advantage of the proposed approach: explainability is embedded directly within the operator structure itself and does not require an external tool. Therefore, our framework provides a mathematically transparent and physically interpretable approach to uncover relationships within data, fostering trust in machine learning for scientific applications by enabling more informed data-driven analysis of physical systems.
physics.comp-ph
Accurate aerodynamic modeling of satellites in very low Earth orbit (VLEO) requires gas-surface interaction (GSI) models that capture the full velocity spectrum from thermal to orbital speeds. Atmospheric particles initially strike spacecraft surfaces at hypersonic velocities of 6 000 - 10 000 m/s. Due to surface roughness and complex geometries, especially within air-breathing electric propulsion (ABEP) intake systems, multiple collisions occur, progressively reducing the particle velocities. A recent machine learning framework for deriving scattering kernels from molecular dynamics (MD) simulations has shown promise, but remains limited to high-velocity single impacts and possibly violates fundamental equilibrium principles such as detailed balance. This work extends this machine learning based scattering kernel to cover the complete velocity range using conditional normalizing flows trained with physics-informed constraints, enabling accurate modeling of multi-bounce scenarios in realistic VLEO applications. We train a conditional Real-valued Non-Volume Preserving (cRealNVP) model on expanded molecular dynamics simulations covering velocities from thermal to hypersonic speeds, incorporating a detailed balance loss term. The resulting model demonstrates improved accuracy compared to previous approaches even in the original high-velocity regime, while successfully capturing thermal-velocity scattering. Quantitative assessment shows that thermalization is approximated within acceptable tolerances. This framework provides essential capabilities for accurate ABEP intake optimization and VLEO mission planning while offering a general methodology applicable to broader rarefied gas dynamics problems requiring thermodynamic consistency.
physics.comp-ph
Derivative computation is central to scientific computing, from space-time derivatives in physics-informed neural networks (PINNs) to residual Jacobian actions and discrete-adjoint operators in computational fluid dynamics (CFD). General-purpose automatic differentiation (AD) reduces implementation effort, but can incur substantial runtime and memory overhead for high-order residuals and complex discretized operators. Explicit derivative kernels can exploit problem-specific structure and provide efficient, controllable evaluations, but their use has been limited by derivation and implementation costs. This work revisits explicit differentiation (ED) as a residual-specific and verifiable route enabled by agent-assisted implementation and stringent numerical verification. For PINNs, we propose residual-specific partial-jet propagation, which makes the derivative-state closure of the target PDE residual explicit and realizes it through specialized layerwise kernels, rather than relying only on nested AD or a generic Taylor-mode transform. Relative to nested AD, the resulting ED kernels achieve floating-point-level agreement in residual and parameter-gradient evaluations and accelerate complete PINN training, often reaching 2-4x speedups while reducing peak GPU memory in most cases. For discretized PDE adjoints, we apply the same verification-driven strategy to a finite-volume CFD residual. The generated tangent-action and transpose-action kernels pass Taylor-remainder, inner-product, and reduced-gradient consistency checks, and are embedded into a GPU-resident discrete-adjoint workflow for freestream Mach-number and angle-of-attack inversion. These results suggest that verified explicit derivative kernels, supported by agent-assisted implementation, can serve as a practical, structure-aware complement to general-purpose AD for derivative-intensive scientific computing.
physics.flu-dyn
In this paper, two novel data-driven models based on kriging and neural networks (NN) are proposed to predict pressure losses across perforated plates with circular perforations in turbulent flows. The models are developed using two sets of experimental data available in the literature. The predictive performance of the proposed models is assessed and compared against widely used empirical formulae. It is found that the proposed models consistently outperform existing empirical models for most perforated plate configurations contained in the experimental datasets. Besides, the predicted pressure losses generally show good agreement with experimental measurements, demonstrating that data-driven approaches based on kriging and NN provide a feasible framework for modelling pressure losses across perforated plates. Overall, both approaches are promising, despite being trained on a relatively limited amount of experimental data, owing to the scarcity of measurements reported in the literature. To demonstrate the applicability of the proposed models in numerical simulations, two-dimensional channel flows are simulated using the Reynolds-averaged Navier-Stokes (RANS) equations, in which the new pressure-loss models are implemented as a source term in the momentum equations. The RANS predictions are found to be in excellent agreement with the model predictions, confirming the suitability of the proposed approaches for practical computational fluid dynamics applications.
physics.med-ph
Single mass-spring-damper models of vocal folds have been effective in simulating vocal fold vibrations without added complexity. However, single-degree-of-freedom models cannot sustain oscillation in the presence of structural damping unless source-tract interaction is considered. Moreover, existing lumped models struggle to accurately simulate vocal fold closure during phonation. This study aims to develop a reliable and simplified single-degree-of-freedom model of phonation that can simulate sustained oscillation in a damped system without incorporating a vocal tract model. Additionally, the proposed model maintains vocal fold closure in a manner consistent with the physics of phonation, addressing a longstanding challenge in existing lumped models. High-speed videoendoscopy (HSV) data from four normophonic subjects producing sustained vowel /i/ were used to extract glottal area waveforms (GAWs) via deep learning-based image segmentation for particle swarm optimization of the model parameters. An additional resistance force was incorporated to compensate for flow separation and generate the force imbalance required for sustained oscillation. An external structural force was also added during closure to sustain the closed phase. The 4th-order Runge-Kutta method was used to solve the governing equations with enhanced numerical stability and accuracy. The model parameters were optimized for individual subjects, resulting in normalized errors below 3% between experimental and simulated GAWs. The proposed model accurately reproduced subject-specific vocal fold vibrations and vocal fold closure in agreement with experimental data. Overall, the proposed model provides a computationally efficient framework for simulating sustained phonation without requiring complex source-tract coupling while capturing the key biomechanical and aerodynamic mechanisms of phonation.
stat.ML
Predicting the aerodynamic performance (e.g. lift, drag, and moment coefficients) of an aircraft is challenging – computational models are biased and direct simulations are prohibitive. A pragmatic way to overcome this limitation is by calibrating low-fidelity computational predictions with experimental measurements. This, however, requires calibrating against \emph{sparse} measurements contaminated with \emph{uncertainty} in both the control inputs and the measured aerodynamic response. We develop a methodology to address this problem based on Gaussian process surrogates and the classical Kennedy-O'Hagan calibration. A surrogate model learned on abundant-but-cheap low-fidelity data is calibrated with a sparse set of measurement data. Crucialy, we develop a Bayesian latent Gaussian process based approach that marginalizes the calibrated surrogate model over the input uncertainty, while also matching the marginal mean and variance of the measured output uncertainty. Once calibrated, our surrogate model predicts the uncertainty in aerodynamic coefficients with very high accuracy, including at extrapolative input settings. We validate our calibrated surrogate model predictions against measurement data with \emph{true} uncertainty intervals to demonstrate that the model places of its predictive samples inside the released truth intervals, with endpoint cumulative probabilities very close to the nominal 0.025 and 0.975 levels.
cs.RO
At competitive speeds and spins, a table tennis ball follows complex, counterintuitive trajectories that a robot must track and precisely counter within fractions of a second. Training a reinforcement learning policy capable of these skills is prohibitively expensive and dangerous in the real world, making high-fidelity simulation essential. Transferability of such policies, however, critically depends on how faithfully the simulation captures real-world dynamics - a requirement made even more stringent by the adversarial nature of the game, where any modeling inaccuracy becomes an exploitable weakness for the opponent. Prior state-of-the-art in robot table tennis generally focuses on a limited range of velocities and spins and fails to capture the richness of ball behaviors encountered in professional-level play. In this work, we present physics models for aerodynamic ball flight, ball-table contact, and ball-racket contact. that accurately capture the ball behavior over a vast range of speeds and spins relevant to the game. Specifically, we model drag and Magnus force coefficients as functions of Reynolds number and spin ratio in the aerodynamics equations. For the table contact model we model effects of ball buckling on the coefficient of restitution and incorporate residuals into the instantaneous point-contact models. For the racket contact model, we introduce a residual neural network component to complement coefficients related to normal and tangential coefficients of restitution as well as torsional spin damping. Evaluated on an unprecedentedly large dataset of competitive matches (277 games), the proposed models significantly reduces prediction errors (e.g., 59% median landing-position error reduction). The resulting models were used to train the RL policies for the first real-world robot table tennis AI agent capable of competing against professional players.
cs.LG
Kolmogorov Arnold networks (KAN) have recently been introduced as a (deep) neural network architecture whose trainable parameters adapt the activation functions, instead of the coefficients of the affine transformations at the core of traditional architectures such as deep multilayer perceptrons (MLPs). This architecture builds on the Kolmogorov-Arnold theorem, which endows it with universal approximation properties. While the advent of KANs has been received with excitement, there is a current debate about the possible KAN supremacy over deep multilayer perceptrons (MLPs) for classic fields such as symbolic regression, generic-purpose machine learning, natural language processing or computer vision. Here we assess the performance of KANs –and its nuanced comparison against MLPs and graph neural networks (GNNs)– in the realm of fluid dynamics surrogate modelling. To that aim, we consider the task of predicting the surface pressure distribution over subsonic and transonic airfoils, a canonical task in aerodynamics. Our results show that KAN models show good performance in predicting the whole pressure coefficients and is able to interpolate across Mach numbers and angles of attack, however its performance is comparable –marginally inferior– to a suitably trained MLP, where best performance is achieved by a GNN at the expense or requiring lengthier training. While the optimal KAN model have typically much lower complexity than MLP and GNN –hence resulting in faster training–, we find that KANs suffer from training instabilities, and their performance is highly dependent on a proper hyperparameter optimisation.
physics.flu-dyn
Physics-informed surrogate models can accelerate computational fluid dynamics simulations. However, many existing methods reproduce global flow patterns more reliably than localized multiscale structures. This study presents a physics-informed Fourier-wavelet transformer for next-step velocity-field reconstruction in real-world flow benchmarks. The proposed formulation combines hybrid Fourier-wavelet spectral encoding with physics-biased self-attention based on partial differential equation residual diagnostics. It also uses self-supervised pretraining through Masked Physics Prediction and Equation Consistency Prediction. The experiments are conducted on two real benchmark cases: cylinder-wake flow and fluid-structure interaction. All approaches are evaluated under a shared local protocol and compared with spectral, transformer-based, operator-learning, and physics-informed neural-network baselines. On the cylinder-wake benchmark, the proposed model achieves the best aggregate accuracy, with an all-channel normalized mean-squared error of 0.05875 and an all-channel Pearson correlation coefficient of 0.97019. On the fluid-structure-interaction benchmark, it gives the lowest all-channel normalized mean-squared error of , compared with for the strongest baseline. Component-wise field comparisons and scale-separated diagnostics further show stronger recovery of localized wake structures, including near-body, wake-core, and far-wake features. The results demonstrate improved real-world flow reconstruction while maintaining a practical accuracy-cost tradeoff.
cs.CE
Numerical simulations in industrial applications often require performing numerous high-precision computations parameterized by specific experimental conditions. For instance, in vehicle body design, aerodynamic simulations are essential for evaluating the aerodynamic characteristics of various proposed body geometries. However, computational resource constraints often become a bottleneck. Therefore, achieving the desired accuracy while minimizing computational cost is crucial. To address this challenge, model reduction methods have been developed to decrease the degrees of freedom by constraining the possible states of a physical system to a lower-dimensional subspace. In particular, reduction techniques that project the system onto a nonlinear subspace using neural networks have been actively studied. Our previous research developed a reduced-order model that integrates neural-network-based model reduction with a time-evolution method, implemented as a distributed parallel training framework to process high-resolution flow field data efficiently. In this study, we extend this reduction approach by incorporating a variational autoencoder to assess its robustness in high-Reynolds-number flows around multiple vehicle bodies with varying geometries. Specifically, we evaluate the reconstruction accuracy of vortex generation across different spatial and temporal scales using a compact latent representation, with a particular focus on the flow behavior near the rear end of the vehicle body.
physics.ao-ph
High-altitude Clear Air Turbulence (CAT) poses significant risks to aviation safety due to its unpredictability and challenges in detection. This study leverages machine learning models to improve CAT prediction within U.S. airspace at 200-350 hPa pressure levels, utilizing Pilot Reports (PIREPs), ERA5 reanalysis data, and aircraft aerodynamic parameters from the BADA database. Gradient boosting algorithms, particularly XGBoost, achieved the highest performance with an AUC of 0.904, demonstrating superior capability in capturing non-linear atmospheric dynamics. Key findings highlight the dominance of geographic coordinates (17.5% feature importance) and turbulence indices like TI3 in prediction, emphasizing the role of regional topography and upper-tropospheric instability. The integration of aerodynamic features such as drag force and wing loading improved the detection of moderate-to-severe perceived turbulence intensity (POD improved from 0.845 to 0.866), providing additional value to traditional aircraft-independent methods. Seasonal analysis revealed winter months as peak periods for CAT incidents, correlating with jet stream activity. While results align with global studies, limitations include geographic scope and aircraft-type diversity. This research underscores the potential of machine learning for operational CAT forecasting, with recommendations for future work focusing on global data integration and real-time telemetry to address climate-driven turbulence trends.
cs.AI
AI-driven engineering workflows face particular challenges in crash safety design: unlike aerodynamics, crash events involve highly nonlinear contact dynamics, material nonlinearity, and discrete state transitions that are difficult to capture with data-driven surrogate models. To the best of our knowledge, we present the first foundation model–orchestrated workflow for crash safety design that enables surrogate-assisted exploration for pedestrian protection, reducing evaluation time from hours per CAE simulation to seconds. The workflow integrates four components: (1) a surrogate trained on CAE crash simulations to predict pedestrian leg injury metrics from design parameters, achieving an average and providing distribution-free conformal prediction intervals; (2) multiobjective evolutionary search (NSGA-II) to discover diverse feasible parameter sets under user-specified constraints; (3) a morphing-based geometry generator that maps parameters to topology-preserving 3D shapes; and (4) a natural-language interface in which an LLM orchestrates the workflow and a vision–language model supports semantic comparison of generated designs. In an automotive front-bumper case study, the workflow produces 35 distinct safety-compliant alternatives from a single exploration, a process that would require weeks with conventional CAE iteration. These results suggest that foundation models can serve as integration layers between ML surrogates and physics-based simulation, helping bring AI capabilities to safety-critical engineering domains.
cs.CE
Scientific machine-learning (SciML) surrogates approximate expensive simulations, but exact expected outputs for arbitrary inputs are unavailable (the oracle problem). Metamorphic testing checks relations across executions, yet a candidate relation is not automatically valid: its preconditions, output mapping, and the numerical floor of the scoring operator determine whether a violation is meaningful. We study how candidate metamorphic relations (MRs) can be screened for domain validity and turned into executable, oracle-free test assets for SciML surrogates. We propose (i) a domain-validity rubric that admits a candidate only when its tolerance dominates the operator's numerical floor and its preconditions hold; (ii) an MR-card executable-asset format recording source cases, transformations, metrics, tolerances, and typed relation-level verdicts; and (iii) a case-study protocol on MeshGraphNets cylinder-flow surrogates, with a claim ledger binding every result to a tracked artifact. On a MeshGraphNets checkpoint, node permutation holds to machine precision, mirror-y is a bounded out-of-distribution stress finding rather than an exact symmetry, and absolute conservation stays deferred while a reference-relative guard passes. The same readings hold across held-out trajectories, a checkpoint roster, three further architectures, and PhysicsNeMo. On a second CFD task (compressible airfoil) the predicate instead rejects incompressible continuity on physical grounds, showing it reasons about domain validity rather than running a fixed checklist. On a second PDE family, FNO Burgers and heat surrogates run full admit/reject/execute verdicts. The evidence spans two CFD tasks and a second PDE family, supporting a validity-aware bridge from candidate MRs to auditable SciML test assets that separates model-level violations from out-of-domain applications.
physics.med-ph
A predictive physics-based model of human respiratory, phonatory, and articulatory subsystems is developed to simulate voice production. Representing lungs, compressible airways, and vocal folds as spring-damper-mass controlled piston-cylinder systems, our mathematical model robustly captures the intricate dynamics of airways during phonation. The nonlinear viscoelastic properties of lung tissues and compressible airways were investigated, yielding a responsive and expressive baseline respiratory model with the capability to further extend into a patient-specific model for both respiration and phonation. The resulting framework was subsequently integrated with a mechanical representation of the vocal tract, governed by the glottal area waveform (GAW) capturing the motion of vocal folds during sustained phonation. The GAW is extracted from laryngeal high-speed videoendoscopy data of a normophonic participant using deep learning. Our novel paradigm transcends beyond modeling the respiratory system, enabling AI-driven modeling of vocalization, including vocal fold dynamics, interactions with flow aerodynamics, and flow resistances, induced by the oscillatory behavior of vocal folds. Our investigation leads to the first-ever simulation of respiratory dynamics for vocalization, directly advancing the prediction of subglottal pressure distributions, impossible to measure directly and noninvasively in humans, dynamic resistances, and energy transfer mechanisms during phonation in voice mechanics.
stat.AP
This study investigates supervised machine learning techniques for identifying ship hydrodynamic coefficients from CFD-generated data from free-running simulations. Specifically, ordinary least squares and regularized regression methods are applied to Abkowitz-type manoeuvring models. Training and validation datasets are derived from URANS simulations of zig-zag and turning circle manoeuvres, which are validated against experimental benchmark data. The analysis evaluates the effects of coefficient set size, minimum training length required for predictive model training, and manoeuvre combinations on model performance. Results demonstrate the suitability of large-angle zig-zag manoeuvres for hydrodynamic system identification, provided that multicollinearity is addressed through appropriate coefficient selection, regression models, or input data variability. Larger coefficient sets offer greater model flexibility for variable conditions but are more prone to multicollinearity. Regularized regression techniques effectively mitigate multicollinearity and notably enhance prediction accuracy, as does incorporating more diverse manoeuvring data. Among tested models, Ridge regression provided the best compromise between computational efficiency and prediction accuracy.
physics.flu-dyn
Designing spray nozzles requires predicting how geometry shapes transient two-phase breakup, but high-fidelity volume-of-fluid (VOF) simulations with adaptive mesh refinement (AMR) are too expensive for iterative design exploration. Standard surrogate models are also challenged by this setting because both the liquid–gas interface and the underlying adaptive discretization evolve across time and geometries. We introduce a geometry-conditioned latent surrogate trained on 797 two-phase nozzle simulations that addresses this by encoding the AMR cell-density field, rather than the full multi-channel flow state, as a compact proxy for where the solver concentrates resolution. From this representation, the model reconstructs transient density evolution and nozzle geometry, and a lightweight second stage recovers the remaining flow variables. On held-out simulations, the method accurately captures key interface dynamics while reducing inference time to 0.045 seconds per trajectory, corresponding to a speed-up of more than relative to Basilisk CFD. These results suggest that AMR refinement structure can serve as a compact and learnable representation for geometry-conditioned surrogate modeling of transient two-phase flows.
physics.flu-dyn
Accurate prediction of hydrodynamic performance is central to ship design, yet high-fidelity computational fluid dynamics remains prohibitively expensive for large-scale parametric exploration. This motivates the development of data-driven surrogate models that provide rapid approximations to hydrodynamic predictions at substantially reduced cost. We present ShipNet, a geometric deep-learning surrogate that predicts both hull-surface pressure distributions and far-field free-surface wave patterns directly from hull geometry and speed. The network employs a regularized dynamic graph convolutional backbone on hull point clouds, with a multi-head decoder for simultaneous near-body pressure and free-surface elevation outputs. Training data consist of 420 inviscid free-surface simulations generated using a potential-flow panel method for two parent yacht hulls, each parameterized into 70 variants and evaluated at three speeds. ShipNet predicts per-point pressure coefficient and two-dimensional wave elevation map using a composite loss that combines point-wise regression and image-structure terms. On a geometry-held-out test set, ShipNet achieves R^2=0.98 for hull pressure and R^2=0.91 for wave fields. Inference requires approximately 0.15s per case, yielding over a 550x speedup relative to the potential-flow solver on conventional hardware. Limitations include the restricted geometry and speed ranges and the inviscid training data, while future work will extend the model to high-fidelity viscous simulations with physics-informed regularization.
physics.comp-ph
Physics-informed and data-driven surrogates are increasingly used to approximate mechanics-governed flow fields, but the target quantities assigned to such models are not always identifiable from the input variables available at prediction time. We introduce an input-schema identifiability certificate for computational surrogates. Starting from a reduced physical model, the certificate decomposes a target field into components that are measurable from geometry, components that require boundary-condition information, and components identifiable only up to a symmetry quotient. This yields a pre-training audit: it predicts which oracle-channel interventions should reduce error, which should fail, and which ambiguity cannot be removed by changing the architecture, loss, optimizer, or sample size. We instantiate the framework for incompressible tubular flow using a Cosserat-rod reduction, where lumen velocity separates into a mesh-measurable tangent direction, a boundary-condition-dependent magnitude, and a signed-orientation ambiguity. Controlled experiments on patient-specific aortic CFD geometries, analytic Womersley flows, and an advection-diffusion transfer problem confirm the predicted pattern: supplying signed direction collapses angular error to the oracle regime, whereas supplying magnitude without orientation leaves the predicted sign ambiguity and yields 16-33 percent per-node sign flips. The results provide a mechanics-based diagnostic for deciding whether a surrogate modelling task is physically identifiable before training, and expose failure modes that aggregate error metrics can hide.