TurtLES: A Large-Scale Benchmark for Turbulent 3D Neural PDE Surrogates

Evaluating neural operators for 3D turbulent flow requires validated datasets with physical benchmarks. We present a reproducible pipeline generating training data for 3D channel flows around generated geometries at Re=1,000-10,000. Our lattice Boltzmann solver with cumulant collision operators is rigorously verified against experimental measurements (Strouhal number, drag coefficients, turbulent fluctuations) with comprehensive grid convergence studies at resolution 1024x512x512. Building upon an established framework, this validated pipeline enables standardized surrogate model comparison. We outline planned systematic evaluation of Fourier Neural Operator and U-Net variants on forecasting, super-resolution, and error correction tasks, using physics-informed metrics to assess turbulent energy cascade representation. Future work will compare computational efficiency between numerical solvers and neural surrogates, exploring practical application. We seek community feedback on our validation approach, planned benchmark methodology, and evaluation priorities for neural operators in turbulent flows.

Turbulence is a central testbed for machine learning on physical dynamics because its governing laws are known exactly. However, most existing studies remain in 2D, while 3D turbulence has fundamentally different physics and is far more costly to simulate. Existing 3D resources also typically provide only one realization per configuration, making it difficult to distinguish learning the dynamics from fitting the statistics of a single flow. In this paper, we introduce TIDE (Turbulent Incompressible DNS Ensembles), a 256^3 DNS corpus and benchmark for 3D incompressible turbulence, with 15 configurations on eight controlled axes, independent ensembles, pressure fields, and equation-level verification. The benchmark includes five tasks, standardized learned baselines, controlled generalization splits, and physical-fidelity metrics alongside pointwise error. Across the main forecasting configurations, current learned models barely outperform persistence and still make about twice the error of a spectral solver given the true equations. Moreover, lower pointwise error can coincide with severely distorted small-scale dynamics, showing that accuracy alone does not ensure physical fidelity. Generalization results further show that most regime shifts reflect limited training coverage, whereas forced-to-decay transfer exposes a missing conditioning variable: operators trained under forcing continue to predict driven evolution when the external drive is removed. Closing these accuracy, fidelity, and conditioning gaps is the central open problem made measurable by TIDE.

Neural surrogates are trained to predict 3D turbulent flows in place of direct numerical simulation (DNS). For chaotic flows, the goal is short-term pointwise accuracy followed by long-term physical and statistical fidelity. However, small prediction errors can carry a surrogate away from the flow's attractor. Off-attractor states are poorly represented in training data, leaving their evolution weakly constrained. The learned dynamics can then amplify deviations and lead to blow-up, freezing, or statistical drift. We propose off-attractor supervision (OAS) to supervise neural surrogates where they leave the attractor. OAS teaches the model how the true Navier-Stokes dynamics would evolve from these states. Each selected state is paired with its own future computed by DNS. Three generators select a few hundred states for relabeling. The first collects states from the surrogate's own rollouts. The second uses surrogate attacks to target freezing, excessive amplification, and violations of incompressibility and energy balance. The third perturbs training states along an amplified direction and a strongly damped random direction of the dynamics. All attacks run on the surrogate alone, and DNS relabeling is performed offline once per selected state. Experiments on $128^3$ turbulence show that OAS increases the median time to failure from 21 to 721 steps. The compared baselines achieve medians of at most 110 steps, and the advantage holds across training seeds. OAS also achieves the lowest pointwise error at step 15 and the best long-horizon statistics among the compared methods. OAS integrates physical models into neural simulation by extending supervision from fixed reference trajectories to states where the surrogate is likely to fail. This principle can guide the development of more reliable scientific surrogates when deployment takes models beyond the coverage of their training data.