The Inference Report

Machine-learning surrogates are increasingly used to accelerate computational fluid dynamics, yet progress is limited by the lack of benchmarks capturing realistic, time-dependent turbulent flows. We introduce TurtLES, a 14 TB dataset of 3D turbulent cylinder wakes in the shear-layer transition regime, computed via high-fidelity implicit large-eddy simulations. The dataset contains 400 trajectories of 400 time steps each, with 3-11 million points per frame, spanning variations in geometry, Reynolds number, and angle of attack. Unlike existing datasets, TurtLES combines (i) physically realistic turbulence with an active energy cascade driven by vortex stretching, (ii) dense irregular meshes, and (iii) long-horizon temporal dynamics. We benchmark state-of-the-art neural operators on autoregressive rollouts and identify key failure modes, including temporal instability, loss of small-scale energy, and challenges in learning on large irregular domains. TurtLES provides a new benchmark for evaluating surrogate models on 3D turbulent wakes at industrially relevant mesh resolution.

Rayleigh-Taylor instability (RTI) is of fundamental importance in fields such as inertial confinement fusion and supernova explosions, and its evolution is commonly described by potential--flow theory and buoyancy--drag models. However, both types of models struggle to accurately capture the overshoot behavior of bubble and spike velocities, as well as the subsequent reacceleration stage. To address these limitations, we develop a physics-constrained, data-driven framework based on the integral formulation of Sparse Identification of Nonlinear Dynamics (SINDy), which extracts low-dimensional dynamical equations for bubble and spike evolution directly from data. By introducing the nondimensional initial amplitude $A_0 = kη_0$ as an explicit parameter, we identify distinct dynamical equations for the bubble and the spike based on data spanning multiple Atwood numbers and initial amplitudes. The resulting low-dimensional dynamical equations not only reproduce the overshoot behavior of the velocity with good accuracy, but also capture the reacceleration stage well, while maintaining high predictive accuracy at unseen values of the wavenumber, acceleration, and Atwood number. This work provides a physics-constrained, data-driven framework complementary to conventional potential-flow and buoyancy--drag models, accurately describing the dynamical evolution of the bubble and spike at high Atwood numbers, and provides a new perspective for directly extracting the dynamical equations of interfacial instabilities from data.

Microfluidic droplet generation is critical for many applications, yet efficient device design in high-dimensional parameter spaces remains computationally prohibitive due to complex multiphase flow dynamics. This work presents a unified methodology that couples adaptive surrogate enhancement with simulation-driven inverse design. High-fidelity Volume-of-Fluid simulations provide ground-truth data, while neural network ensembles predict flow regimes and droplet diameters. Ensemble-based uncertainty quantification identifies epistemic uncertainty using consensus levels for regime classification and the coefficient of variation for diameter prediction, revealing that uncertainty concentrates near regime transition boundaries where physics is highly sensitive to parameter perturbations. A physics-informed enrichment strategy targets these critical zones and addresses class imbalances by deploying additional targeted simulations and retraining the surrogates forming the ensembles. A framework that integrates Particle Swarm Optimization for constrained inverse design, balancing accuracy with predictive confidence and physical consistency is therefore proposed. Validation on independent test datasets demonstrates that the enriched ensembles achieve higher accuracy, with the fraction of predictions within the 0-3% error range on droplet diameter nearly doubling, and high-error cases (above 10%) dropping substantially. The inverse design procedure reliably identifies physically realizable configurations meeting target droplet sizes. This approach significantly reduces computational costs while ensuring reliable predictions, offering a framework with potential applicability to the optimization of a broad range of microfluidic systems.

Reconstructing full flow fields from sparse sensors requires prior assumptions about unmeasured regions and physical variables. Yet it remains unclear when learned models outperform classical estimators and which aspects of their predictions can be trusted. FlowReconBench evaluates ten learned and five classical methods on three regimes: a laminar cylinder wake across Reynolds numbers, two-dimensional Kolmogorov turbulence and a large-scale three-dimensional (3D) isotropic turbulence. Methods share leakage-controlled splits and sensor draws and are scored on per-channel error, ensemble spread, calibration, spectra and cost. The leading method changes for each regime. Classical methods perform strongly in low-order and dense-sensing regimes. On the cylinder wake, linear stochastic estimation and gappy proper orthogonal decomposition lead, including for unobserved pressure. In 3D, inverse-distance weighting matches the best learned methods on observed channels. Data-driven methods become superior at decreasing sensor density or poor sensor observability. On Kolmogorov flow, continuous ranked probability score and error yield different method rankings: generative models offer broader but underdispersed ensembles, while deterministic models prioritize pointwise error. Generative models balance this tradeoff through their sampler budget, with a larger budget improving ensemble quality at higher computational cost. In 3D, scaling tests demonstrate that queryable methods are flat in memory, while full-grid construction methods run out of memory. Observing only 2 of 4 fields leaves the problem kinematically underconstrained, yet a latent model can reproduce structural similarities to the ground truth.

Laminar-turbulent transition governs skin friction, heat transfer and losses in turbomachinery, yet Reynolds-averaged Navier-Stokes (RANS) transition models rely on empirical correlations and hand-calibrated activation functions whose structural deficiencies cannot be resolved by recalibration. We propose a CFD-driven sparse symbolic regression framework to learn interpretable, closed-form corrections to the production and destruction activation functions in the intermittency equation of the local, Galilean-invariant $k$-$ω$-$γ$ model of Ge et al. Each correction combines a polynomial of a local pressure-gradient parameter, controlling amplitude and sign, with a bounded exponential of local flow features, controlling spatial support. This construction bounds the corrections without ad hoc limiters. Coefficients are identified by gradient-free optimization with the RANS solver in the loop, accelerated by POD-Kriging field surrogates, using mean-velocity data from wall-resolved large-eddy simulations (LES) of the ERCOFTAC T3 flat-plate cases. Elastic-net hyperparameters are selected automatically through bi-level optimization with leave-one-case-out cross-validation. The resulting model retains 11 of 21 candidate terms, compared with 20 under conventional grid-search tuning, while achieving comparable or slightly better accuracy on training and unseen cases. Both approaches recover the same leading-order correction. Applied without retraining to the transonic LS89 turbine cascade, far beyond the training envelope, the augmented model remains numerically robust and improves heat-transfer predictions at all four operating points, reducing errors by up to 70% where the baseline predicts premature transition under high freestream turbulence. Residual errors in transition onset and length highlight the limits of training on flat-plate data alone.

Physics informed machine learning provides a framework to study and simulate fluid dynamics, potentially at a fraction of the computational cost of traditional numerical methods, with the goal of improving the explainability, accuracy and robustness of purely data driven machine learning methods. In this work, we extend the hard constraint projection (HCP) method developed by Chen et al. [Journal of Computational Physics, 445, 110624, 2021] from a linear partial differential equation (PDE) to a nonlinear PDE: the 1D Burgers' equation. To strictly impose a discrete approximation of the governing equation, the Burgers' equation is first locally discretised (using a finite difference stencil) then decomposed into a constraint matrix and a prediction matrix. Using tools from linear algebra, the constraint matrix is used to construct a projection matrix. A physics informed neural network (PINN) [Raissi et al. Journal of Computational Physics, 378, 686, 2019] is used to predict the velocity, and a final unlearnable layer projects the velocity prediction to the hyperplane of exact solutions to a discretised form of the Burgers' equation. Our initial results indicate that the HCP-PINN initially trains similarly to an equivalent PINN, and as the PINN loss plateaus, the HCP-PINN loss continues to decline. When tested on a previously unseen uniform grid of points covering the domain, the HCP-PINN exhibits higher accuracy, converging to a data error approximately an order of magnitude lower than the comparable PINN. We also observe that the inclusion of the HCP layer results in better observance of the governing PDE. Our findings suggest that the HCP-PINN can be more robust to the selection of physics collocation points, and less dependent on collocation point quantity.