Autoregressive regularized score-based diffusion models for multi-scenarios fluid flow prediction

Building on recent advances in scientific machine learning and generative modeling for computational fluid dynamics, we propose a conditional score-based diffusion model designed for multi-scenarios fluid flow prediction. Our model integrates an energy constraint rooted in the statistical properties of turbulent flows, improving prediction quality with minimal training, while enabling efficient sampling at low cost. The method features a simple and general architecture that requires no problem-specific design, supports plug-and-play enhancements, and enables fast and flexible solution generation. It also demonstrates an efficient conditioning mechanism that simplifies training across different scenarios without demanding a redesign of existing models. We further explore various stochastic differential equation formulations to demonstrate how thoughtful design choices enhance performance. We validate the proposed methodology through extensive experiments on complex fluid dynamics datasets encompassing a variety of flow regimes and configurations. Results demonstrate that our model consistently achieves stable, robust, and physically faithful predictions, even under challenging turbulent conditions. With properly tuned parameters, it achieves accurate results across multiple scenarios while preserving key physical and statistical properties. We present a comprehensive analysis of stochastic differential equation impact and discuss our approach across diverse fluid mechanics tasks.

Multiple-Input Fourier Neural Operator (MIFNO) for source-dependent 3D elastodynamics

Numerical simulations are essential tools to evaluate the solution of the wave equation in complex settings, such as three-dimensional (3D) domains with heterogeneous properties. However, their application is limited by high computational costs and existing surrogate models lack the flexibility of numerical solvers. This work introduces the Multiple-Input Fourier Neural Operator (MIFNO) to deal with structured 3D fields representing material properties as well as vectors describing the source characteristics. The MIFNO is applied to the problem of elastic wave propagation in the Earth's crust. It is trained on the HEMEW^S-3D database containing 30000 earthquake simulations in different heterogeneous domains with random source positions and orientations. Outputs are time- and space-dependent surface wavefields. The MIFNO predictions are assessed as good to excellent based on Goodness-Of-Fit (GOF) criteria. Wave arrival times and wave fronts' propagation are very accurate since 80% of the predictions have an excellent phase GOF. The fluctuations amplitudes are good for 87% of the predictions. The envelope score is hindered by the small-scale fluctuations that are challenging to capture due to the complex physical phenomena associated with high-frequency features. Nevertheless, the MIFNO can generalize to sources located outside the training domain and it shows good generalization ability to a real complex overthrust geology. When focusing on a region of interest, transfer learning improves the accuracy with limited additional costs, since GOF scores improved by more than 1 GOF unit with only 500 additional specific samples. The MIFNO is the first surrogate model offering the flexibility of an earthquake simulator with varying sources and material properties. Its good accuracy and massive speed-up offer new perspectives to replace numerical simulations in many-query problems.

Fourier Neural Operator Surrogate Model to Predict 3D Seismic Waves Propagation

With the recent rise of neural operators, scientific machine learning offers new solutions to quantify uncertainties associated with high-fidelity numerical simulations. Traditional neural networks, such as Convolutional Neural Networks (CNN) or Physics-Informed Neural Networks (PINN), are restricted to the prediction of solutions in a predefined configuration. With neural operators, one can learn the general solution of Partial Differential Equations, such as the elastic wave equation, with varying parameters. There have been very few applications of neural operators in seismology. All of them were limited to two-dimensional settings, although the importance of three-dimensional (3D) effects is well known. In this work, we apply the Fourier Neural Operator (FNO) to predict ground motion time series from a 3D geological description. We used a high-fidelity simulation code, SEM3D, to build an extensive database of ground motions generated by 30,000 different geologies. With this database, we show that the FNO can produce accurate ground motion even when the underlying geology exhibits large heterogeneities. Intensity measures at moderate and large periods are especially well reproduced. We present the first seismological application of Fourier Neural Operators in 3D. Thanks to the generalizability of our database, we believe that our model can be used to assess the influence of geological features such as sedimentary basins on ground motion, which is paramount to evaluating site effects.