computational fluid dynamics engineers

Abstract: Pretraining a neural PDE surrogate can reduce the amount of new CFD data needed when geometry or modeled physics changes. However, it remains unclear how different components of distribution shift affect this benefit. We pretrain a surrogate on 254,909 RANS solutions from one airfoil family and fine-tune it on a new family under two target settings with matched freestream ranges: the same Spalart-Allmaras (SA) modeling and SA with added $e^N$ transition modeling. At $N=1000$, the pretrained model matches the accuracy of a model trained from scratch on $3.25\times$ as many samples for the same-SA target, but $2.58\times$ as many for the transition-modeled target. By $N=5000$, this ordering reverses ($1.56\times$ versus $1.86\times$). At $N=1000$, sampling more distinct airfoils lowers error on both targets, but only for the same-SA target is the gain increase larger than the observed draw-to-draw variation ($3.3\times$ to $4.0\times$). These results show that pretraining value depends jointly on target-data budget, target-data coverage, and whether source and target differ in modeled physics.

Abstract: We propose GPU algorithms for high-fidelity simulation of incompressible turbulent flows. Discretization in space is performed with H(div)-conforming high-order Raviart-Thomas finite elements for the velocity and an $L^2$-conforming discontinuous Galerkin approximation for the pressure. In time, a consistent splitting scheme based on higher-order BDF time stepping is used, with convection treated explicitly. In this scheme, a pressure Poisson equation and a symmetric reaction-diffusion-type equation for the velocity need to be solved in each time step. We develop a solution framework with fast matrix-free operator evaluation for all ingredients, combined with multigrid solvers for the Poisson problem, and propose a robust mixed-precision algorithmic framework. A key to mixed-precision efficiency is a least-squares projection to generate accurate initial guesses for the iterative linear solvers, enabling us to work with relative residual tolerances of $10^{-3}$. In this regime, running the solvers entirely in single precision leads to almost no change in overall iteration counts and maintains the crucial turbulence statistics, while showing up to $1.7\times$ speedup over pure double-precision simulations.

Abstract: A neural turbulence closure defines a new boundary-value problem, $R(U)=N(U)+F(U)=0$, with a coupled Jacobian $J(U)=N'(U)+F'(U)$, where $N$ is the original mean-flow operator and $F$ the learned closure. We establish two consequences of global tangent dissipation. For a monotone original operator, a positive uniform margin supplied by the original operator and closure together guarantees existence, uniqueness and a global inverse-sensitivity bound relating a posteriori solution error to the a priori residual. For a general original operator, a dissipative closure cannot worsen tangent dissipation, but this alone does not guarantee uniqueness. Tangent dissipation depends on both diffusion and reaction. We study two complementary ways to promote it: (1) an exact-integral construction enforcing non-negative tangent diffusion while leaving reaction unconstrained, and (2) a penalty on tangent-reaction violations at sampled states. Tangent diffusion enters the Jacobian, and non-negative secant eddy viscosity alone does not control its coercivity. We conduct tests with channel flow at $Re_τ=180$--$5200$, which provides a strongly monotone baseline. Both constrained closures reach accurate solutions in all 50 training-seed/Reynolds-number cases. At $Re_τ=1000$, we conduct tests with 10,000 starts for one fixed network per closure and we find one root for each constrained closure and multiple roots for the other closures. Although this does not prove uniqueness, it provides strong empirical evidence for uniqueness of the tested constrained closures. At $Re_τ=5200$, the construction and penalty reduce the reported inverse sensitivity relative to the original operator by approximately $372\times$ and $11\times$, respectively.

Abstract: We develop a hybrid modeling framework for coupling pre-trained numerics-informed neural networks (NINNs) with classical full order models (FOMs) using the overlapping Schwarz alternating method. We consider the two-dimensional advection-diffusion equation in the advection-dominated, Peclet-number 10^6 regime. We first demonstrate that, unlike the corresponding physics-informed neural network (PINN), a monolithic NINN can be accurately trained on our model problem without domain decomposition. We then employ overlapping multiplicative Schwarz as a deployment mechanism for coupling a pre-trained, subdomain-local NINN with a neighboring FOM, with the NINN weights held fixed throughout the Schwarz iteration. We consider two training approaches for the subdomain-local NINNs: a top-down approach, in which boundary data are obtained from a coupled Schwarz solve on the full domain with a FOM on each subdomain (FOM-FOM Schwarz), and a bottom-up approach, in which boundary traces are generated synthetically on the NINN subdomain without requiring any full-domain solves. The resulting hybrid NINN-FOM solutions agree closely with the corresponding FOM-FOM Schwarz solutions, with the top-down and bottom-up training approaches yielding comparable accuracy.

Abstract: The purpose of this paper is the identification of high-fidelity digital twin data models from numerical code outputs by non-intrusive techniques (i.e., not requiring Galerkin projection of the governing equations onto the reduced modes basis). In this paper the author defines the concept of the digital twin data model (DTM) as a model of reduced complexity that has the main feature of mirroring the original process behavior. The significant advantage of a DTM is to reproduce the dynamics with high accuracy and reduced costs in CPU time and hardware for settings difficult to explore because of the complexity of the dynamics over time. This paper introduces a new framework for creating efficient digital twin data models by combining two state-of-the-art tools: randomized dynamic mode decomposition and deep learning artificial intelligence. It is shown that the outputs are consistent with the original source data with the advantage of reduced complexity. The DTMs are investigated in the numerical simulation of three shock wave phenomena with increasing complexity. The author performs a thorough assessment of the performance of the new digital twin data models in terms of numerical accuracy and computational efficiency.

Abstract: Reaching compressible flow has usually forced lattice Boltzmann methods to abandon the compact stencil or the strict locality that make them efficient. We give up neither, solving the compressible Navier--Stokes--Fourier equations with a scheme that transports only the conserved mass, momentum and energy. The viscous stress and heat flux depend on gradients of the velocity and temperature. To capture them, existing compressible schemes go beyond a single lattice of the conserved fields. They enlarge the velocity set, carry the stress and heat flux as extra transported fields, place the energy on a separate grid, or give up exact streaming for an off-lattice advection. We instead recover the gradients from the non-equilibrium part of the distributions already present, inside the collision. No field beyond the conserved state is transported, no neighbour is read, streaming stays exact, and every computation runs in single precision. The method carries five fields where a transported-flux scheme carries fourteen, at a fraction of the memory and $4.9$ times the throughput. Verified against the exact Sod and Becker shock solutions and a supersonic Taylor--Green vortex, it tracks the direct-numerical-simulation reference on the kinetic energy and stays within the reference-solver spread on both dissipation rates.

Abstract: We study the local errors of classical machine-learning surrogate models, which approximate the time evolution of the one-dimensional viscous Burgers equation. Four models are compared on the same prediction task, using the spatial grid values directly: radial basis function (RBF) kernel ridge regression (KRR), linear Ridge, ExtraTrees, and Random Forests. Across all four models, the one-step residual, defined here as the true value minus the predicted value at each grid point, forms clear curved branches near predicted maxima and minima. A more detailed analysis of KRR shows that these errors are much more strongly related to the second spatial derivative, which measures local curvature, than to the first spatial derivative. Near a smooth extremum, predicted value and curvature form a local two-branch fold. Under our local curvature-based model of the residual, this fold predicts a leading-order near-parabolic relation between predicted value and residual. This geometric result motivates a direct test of the Burgers advection (transport) and diffusion (smoothing) terms. For KRR and Ridge, regression tests on held-out trajectories, a control that breaks the spatial alignment of the diffusion term, and a spectral test of high-frequency content are consistent with insufficient viscous smoothing at moderate and high viscosity. In this case, the surrogate retains more small-scale structure than the true future state. The same physical explanation is much weaker for the tree models. Finally, a correction that uses only predicted quantities reduces both one-step error and error during recursive rollout, where each prediction is used as the next input.