Deep Learning of Solver-Aware Turbulence Closures from Nudged LES Dynamics

Turbulence is ubiquitous in engineering and science, yet direct simulation is prohibitively expensive. The Reynolds-averaged Navier-Stokes (RANS) equations provide savings exceeding ten orders of magnitude but introduce unclosed terms (the closure problem). Offline-trained machine-learning (ML) closures suffer distribution shift in predictive simulations, while ML methods that bypass the governing equations struggle to generalise from scarce high-fidelity data. We develop a physics-derived deep learning closure model for RANS, the Deep Algebraic Reynolds Stress Model (DARSM), which can be trained on small datasets and accurately generalise across Reynolds numbers, to unseen geometries, and to different flow regimes. A neural network maps flow invariants to empirical parameters in an implicit algebraic Reynolds stress equation, derived from the Reynolds stress transport equations under the weak-equilibrium assumption, imposing physics-based structure on the ML closure. End-to-end optimisation through the governing PDEs and the coupled implicit closure eliminates distribution shift, but both unrolled and implicit automatic differentiation fail on the stiff coupled solver. We derive adjoint equations that exploit the solver's implicit-explicit structure for efficient optimisation. On canonical square-duct and periodic-hill benchmarks, DARSM reduces average test velocity error over baseline RANS by $2$-$4\times$ across Reynolds number, geometries, and flow regimes, with peak case-level reductions of $12\times$. The model trained on attached, anisotropy-dominated flows (square duct) accurately generalises without retraining to separated flows (periodic hills), a regime change in the underlying physics. DARSM also outperforms five established ML methods: offline training, tensor-basis neural networks, field-inversion machine learning, DeepONets, and physics-informed neural networks.

This work presents an end-to-end strategy for solving inverse problems constrained by Partial Differential Equations within a fully differentiable Machine Learning framework. The proposed formulation provides a unified and user-friendly methodology applicable to a wide range of problems, from data assimilation to closure modeling. Our approach combines a baseline differentiable PDE solver, which predicts the state w from the nonlinear system $R(w) = 0$, with a generic additive, parametrized, and differentiable correction $f_φ(w)$, with trainable parameters $φ$. We show how to optimize phi within a fully differentiable Python workflow by reformulating the PDE as an implicit layer, enabling its integration into arbitrary objective functions, while leveraging PyTorch's automatic differentiation graph. The method is demonstrated on the Reynolds-Averaged Navier-Stokes equations for compressible flows, where the closure term, or a portion of it, is modeled using trainable parameters or a Neural Network. The first application considers the 2D NASA Wall-Mounted Hump test case, where a production-term parameter is optimized against time-averaged LES data. A second application is carried out on the VKI LS-59 turbine blade, where the Spalart-Allmaras eddy viscosity field is reconstructed through the optimization of a trainable spatial field. A dataset is generated starting from the VKI LS-59 turbine blade geometry using the differentiable BROADCAST solver with the Spalart-Allmaras turbulence model. The results highlight the flexibility of the framework, showing its applicability beyond turbulence modeling to a broader class of physics-informed PDE-constrained problems with data-driven components.

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.