arXiv subjects

Elie Hachem

Publications and source records attributed to Elie Hachem.

At least 19 recordsLinked to original sources

arXiv2026

ONE CYLinder: A Benchmark for Graph-Based Surrogate Modeling of Unsteady Bluff-Body Flows

Graph-based surrogate models offer a promising route to accelerate computational fluid dynamics (CFD) simulations on unstructured meshes. However, their development is limited by the scarcity of benchmark datasets spanning multiple flow regimes and standardized protocols for long-horizon autoregressive prediction. We introduce ONECYL (ONE CYLinder), a new benchmark for unsteady flow past a circular cylinder across laminar, transitional, and high-Reynolds-number regimes. The benchmark comprises 450 high-fidelity Variational Multiscale finite-element simulations (270,000 flow snapshots) with randomized cylinder geometries, providing time-resolved velocity and pressure fields together with mesh connectivity, geometric descriptors, Reynolds numbers, and integrated aerodynamic quantities. Beyond the dataset, ONECYL establishes a unified evaluation framework combining full-field rollout errors, virtual probes, and drag and lift predictions to assess numerical accuracy and physical fidelity. To accompany the benchmark, we develop a Graph Transformer as a reference baseline predicting velocity and pressure fields autoregressively on unstructured meshes. Using ONECYL, we investigate geometric representations and physics-based regularization across the three Reynolds-number regimes. The results show that explicitly encoding the cylinder geometry through a level-set representation consistently improves long-horizon prediction accuracy and generalization to unseen geometries, while divergence-based regularization becomes increasingly beneficial as flow complexity increases. The ONECYL benchmark and its Graph Transformer baseline provide a reproducible framework for evaluating graph-based surrogate models and establish a foundation for future research on long-horizon prediction of unsteady bluff-body flows.

physics.flu-dyn↗

arXiv2026

Heuristic Learning for Active Flow Control Using Coding Agents

Active flow control involves nonlinear dynamics, partial observations, and computationally expensive simulations, making controller design particularly challenging. Deep reinforcement learning (DRL) has emerged as a powerful framework for such problems, but its success typically relies on large numbers of simulator interactions and produces neural-network policies whose decision process often remains difficult to interpret. In this work, we investigate a different paradigm: instead of optimizing neural-network parameters, we use modern coding agents to search directly for explicit executable feedback laws. We introduce a constrained heuristic-learning protocol in which an agent iteratively proposes, evaluates, and revises controller implementations while interacting exclusively through the public benchmark interface. The proposed framework is evaluated on 13 active flow-control benchmarks spanning one, two, and three-dimensional problems and compared against the strongest available DRL baselines under identical simulation budgets. The discovered heuristic controllers match or outperform the best DRL policy in 10 of the 13 environments while remaining compact, interpretable, and directly inspectable. Beyond aggregate performance, the resulting controllers reveal physically meaningful feedback mechanisms, transfer successfully across more challenging configurations, and remain competitive under varying Reynolds and Rayleigh numbers, actuator counts, and observation sparsity. These results suggest that heuristic learning through coding agents constitutes a credible and complementary alternative to conventional reinforcement learning, combining competitive performance with physically interpretable controller representations. Prompts and source code are available at https://github.com/DonsetPG/fluid-heuristic-learning.

cs.LG↗

arXiv2026

Physics-Informed Coarsening for Multigrid Graph Neural Surrogates

Learning-based surrogates for partial differential equations have recently matched the accuracy of classical solvers while achieving orders-of-magnitude speedups, predominantly in fluid settings and structured geometries. In contrast, robust surrogates for deformable solids remain underexplored, despite the presence of nonlinear elasticity, plasticity, and transient behavior that challenge standard architectures. We introduce a multigrid graph neural network for solid mechanics that couples an encoder-processor-decoder backbone with a physics-informed coarsening strategy. Instead of downsampling via geometric heuristics, our method scores nodes using a residual-based measure of local physical activity and preferentially retains regions of high strain or stress concentration, allocating multiscale capacity where it is most needed. This preserves long-range interactions through hierarchical message passing while improving stability over long rollouts. We evaluate on multiple datasets covering linear, nonlinear, and transient regimes, and observe consistent gains in accuracy and rollout stability compared to standard sampling baselines. Our results highlight the importance of physics-informed coarsening for scalable surrogate modeling in solid mechanics.

cs.LG↗

arXiv2026

Dripping-onto-droplet capillary breakup

This experimental, numerical, and theoretical study investigates the capillary thinning and breakup of Newtonian filaments formed following the coalescence of a millimetric-nozzle-generated pendant drop with a lower droplet cap contained in a millimetric cylinder in ambient air, i.e., dripping-onto-droplet capillary breakup (DoD). Our mixed approach combines filament breakup experiments recorded with a high-speed camera and three-dimensional numerical simulations based on a variational multiscale framework for multiphase fluid flows. The results are analysed by considering the dynamics of fluid filament thinning, energy transfers, and scaling laws. Three flow regimes are highlighted: capillary-inertial, capillary-viscous, and mixed capillary-inertial-viscous. All regimes are affected by gravity. The findings are summarised in a two-dimensional diagram that correlates the filament breakup time with different flow regimes using the important dimensionless parameters of the problem, e.g., the Ohnesorge number (which relates the viscous stress to inertial and capillary stresses) and the Bond number (which balances the gravitational stress with the capillary one). This diagram can be used to quantify both the liquid viscosity and the liquid-gas surface tension (for Newtonian fluids). Lastly, we demonstrate that DoD can also be used as a rheometric test, giving access to the extensional relaxation time of polymer solutions (for viscoelastic fluids).

physics.flu-dyn↗

arXiv2026

Mesh Based Simulations with Spatial and Temporal awareness

Machine Learning surrogates for Computational Fluid Dynamics (CFD), particularly Graph Neural Networks (GNNs) and Transformers, have become a new important approach for accelerating physics simulations. However, we identify a critical bottleneck in the field: while architectures have advanced significantly, the common underlying training paradigms remain bound to naive assumptions, such as node-wise supervision and explicit Euler time-stepping. These legacy choices ignore the stiff dynamics and local flux continuity inherent to numerous partial differential equations resolution methods, such as Finite Element, Difference, or Volume (FEM). In this work, we propose a unified framework to bridge the gap between geometric deep learning and rigorous numerical analysis. We introduce three key innovations: (1) Multi Node Prediction, a stencil-level objective that predicts field values for a node's full local topology, enforcing spatial derivative consistency; (2) Temporal Correction, replacing unstable explicit schemes with a predictor-corrector via temporal Cross-Attention; and (3) Geometric Inductive Biases, leveraging 3D Rotary Positional Embeddings (RoPE) to robustly capture rotational symmetries in unstructured meshes. We evaluate this framework across three architectures (MeshGraphNet, Transolver, and a Transformer) on diverse physics datasets. Our approach yields consistent improvements in accuracy and stability, particularly in long-horizon rollouts, while producing latent representations that generalize to unseen subtasks such as Wall Shear Stress or Pressure prediction. Code is available at https://github.com/DonsetPG/graph-physics.

cs.LG↗

arXiv2025

Graph Deep Learning for Intracranial Aneurysm Blood Flow Simulation and Risk Assessment

Intracranial aneurysms remain a major cause of neurological morbidity and mortality worldwide, where rupture risk is tightly coupled to local hemodynamics particularly wall shear stress and oscillatory shear index. Conventional computational fluid dynamics simulations provide accurate insights but are prohibitively slow and require specialized expertise. Clinical imaging alternatives such as 4D Flow MRI offer direct in-vivo measurements, yet their spatial resolution remains insufficient to capture the fine-scale shear patterns that drive endothelial remodeling and rupture risk while being extremely impractical and expensive. We present a graph neural network surrogate model that bridges this gap by reproducing full-field hemodynamics directly from vascular geometries in less than one minute per cardiac cycle. Trained on a comprehensive dataset of high-fidelity simulations of patient-specific aneurysms, our architecture combines graph transformers with autoregressive predictions to accurately simulate blood flow, wall shear stress, and oscillatory shear index. The model generalizes across unseen patient geometries and inflow conditions without mesh-specific calibration. Beyond accelerating simulation, our framework establishes the foundation for clinically interpretable hemodynamic prediction. By enabling near real-time inference integrated with existing imaging pipelines, it allows direct comparison with hospital phase-diagram assessments and extends them with physically grounded, high-resolution flow fields. This work transforms high-fidelity simulations from an expert-only research tool into a deployable, data-driven decision support system. Our full pipeline delivers high-resolution hemodynamic predictions within minutes of patient imaging, without requiring computational specialists, marking a step-change toward real-time, bedside aneurysm analysis.

cs.LG↗

arXiv2025

Predicting Grain Growth in Polycrystalline Materials Using Deep Learning Time Series Models

Grain Growth strongly influences the mechanical behavior of materials, making its prediction a key objective in microstructural engineering. In this study, several deep learning approaches were evaluated, including recurrent neural networks (RNN), long short-term memory (LSTM), temporal convolutional networks (TCN), and transformers, to forecast grain size distributions during grain growth. Unlike full-field simulations, which are computationally demanding, the present work relies on mean-field statistical descriptors extracted from high-fidelity simulations. A dataset of 120 grain growth sequences was processed into normalized grain size distributions as a function of time. The models were trained to predict future distributions from a short temporal history using a recursive forecasting strategy. Among the tested models, the LSTM network achieved the highest accuracy (above 90\%) and the most stable performance, maintaining physically consistent predictions over extended horizons while reducing computation time from about 20 minutes per sequence to only a few seconds, whereas the other architectures tended to diverge when forecasting further in time. These results highlight the potential of low-dimensional descriptors and LSTM-based forecasting for efficient and accurate microstructure prediction, with direct implications for digital twin development and process optimization.

cs.LG↗

arXiv2025

Curriculum Learning for Mesh-based simulations

Graph neural networks (GNNs) have emerged as powerful surrogates for mesh-based computational fluid dynamics (CFD), but training them on high-resolution unstructured meshes with hundreds of thousands of nodes remains prohibitively expensive. We study a \emph{coarse-to-fine curriculum} that accelerates convergence by first training on very coarse meshes and then progressively introducing medium and high resolutions (up to $3\times10^5$ nodes). Unlike multiscale GNN architectures, the model itself is unchanged; only the fidelity of the training data varies over time. We achieve comparable generalization accuracy while reducing total wall-clock time by up to 50\%. Furthermore, on datasets where our model lacks the capacity to learn the underlying physics, using curriculum learning enables it to break through plateaus.

cs.LG↗

arXiv2025

TRELLIS-Enhanced Surface Features for Comprehensive Intracranial Aneurysm Analysis

Intracranial aneurysms pose a significant clinical risk yet are difficult to detect, delineate and model due to limited annotated 3D data. We propose a cross-domain feature-transfer approach that leverages the latent geometric embeddings learned by TRELLIS, a generative model trained on large-scale non-medical 3D datasets, to augment neural networks for aneurysm analysis. By replacing conventional point normals or mesh descriptors with TRELLIS surface features, we systematically enhance three downstream tasks: (i) classifying aneurysms versus healthy vessels in the Intra3D dataset, (ii) segmenting aneurysm and vessel regions on 3D meshes, and (iii) predicting time-evolving blood-flow fields using a graph neural network on the AnXplore dataset. Our experiments show that the inclusion of these features yields strong gains in accuracy, F1-score and segmentation quality over state-of-the-art baselines, and reduces simulation error by 15\%. These results illustrate the broader potential of transferring 3D representations from general-purpose generative models to specialized medical tasks.

cs.CV↗

arXiv2025

Automated discovery of finite volume schemes using Graph Neural Networks

Graph Neural Networks (GNNs) have deeply modified the landscape of numerical simulations by demonstrating strong capabilities in approximating solutions of physical systems. However, their ability to extrapolate beyond their training domain (\textit{e.g.} larger or structurally different graphs) remains uncertain. In this work, we establish that GNNs can serve purposes beyond their traditional role, and be exploited to generate numerical schemes, in conjunction with symbolic regression. First, we show numerically and theoretically that a GNN trained on a dataset consisting solely of two-node graphs can extrapolate a first-order Finite Volume (FV) scheme for the heat equation on out-of-distribution, unstructured meshes. Specifically, if a GNN achieves a loss $\varepsilon$ on such a dataset, it implements the FV scheme with an error of $\mathcal{O}(\varepsilon)$. Using symbolic regression, we show that the network effectively rediscovers the exact analytical formulation of the standard first-order FV scheme. We then extend this approach to an unsupervised context: the GNN recovers the first-order FV scheme using only a residual loss similar to Physics-Informed Neural Networks (PINNs) with no access to ground-truth data. Finally, we push the methodology further by considering higher-order schemes: we train (i) a 2-hop and (ii) a 2-layers GNN using the same PINN loss, that autonomously discover (i) a second-order correction term to the initial scheme using a 2-hop stencil, and (ii) the classic second-order midpoint scheme. These findings follows a recent paradigm in scientific computing: GNNs are not only strong approximators, but can be active contributors to the development of novel numerical methods.

cs.LG↗

arXiv2025

Training Transformers for Mesh-Based Simulations

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have inspired numerous enhancements, including multigrid approaches and $K$-hop aggregation (using neighbours of distance $K$), yet they often introduce significant complexity and suffer from limited in-depth investigations. In response to these challenges, we propose a novel Graph Transformer architecture that leverages the adjacency matrix as an attention mask. The proposed approach incorporates innovative augmentations, including Dilated Sliding Windows and Global Attention, to extend receptive fields without sacrificing computational efficiency. Through extensive experimentation, we evaluate model size, adjacency matrix augmentations, positional encoding and $K$-hop configurations using challenging 3D computational fluid dynamics (CFD) datasets. We also train over 60 models to find a scaling law between training FLOPs and parameters. The introduced models demonstrate remarkable scalability, performing on meshes with up to 300k nodes and 3 million edges. Notably, the smallest model achieves parity with MeshGraphNet while being $7\times$ faster and $6\times$ smaller. The largest model surpasses the previous state-of-the-art by $38.8$\% on average and outperforms MeshGraphNet by $52$\% on the all-rollout RMSE, while having a similar training speed. Code and datasets are available at https://github.com/DonsetPG/graph-physics.

cs.LG↗

arXiv2025

Dragonfly: a modular deep reinforcement learning library

Dragonfly is a deep reinforcement learning library focused on modularity, in order to ease experimentation and developments. It relies on a json serialization that allows to swap building blocks and perform parameter sweep, while minimizing code maintenance. Some of its features are specifically designed for CPU-intensive environments, such as numerical simulations. Its performance on standard agents using common benchmarks compares favorably with the literature.

cs.LG↗

arXiv2025

MeshMask: Physics-Based Simulations with Masked Graph Neural Networks

We introduce a novel masked pre-training technique for graph neural networks (GNNs) applied to computational fluid dynamics (CFD) problems. By randomly masking up to 40\% of input mesh nodes during pre-training, we force the model to learn robust representations of complex fluid dynamics. We pair this masking strategy with an asymmetric encoder-decoder architecture and gated multi-layer perceptrons to further enhance performance. The proposed method achieves state-of-the-art results on seven CFD datasets, including a new challenging dataset of 3D intracranial aneurysm simulations with over 250,000 nodes per mesh. Moreover, it significantly improves model performance and training efficiency across such diverse range of fluid simulation tasks. We demonstrate improvements of up to 60\% in long-term prediction accuracy compared to previous best models, while maintaining similar computational costs. Notably, our approach enables effective pre-training on multiple datasets simultaneously, significantly reducing the time and data required to achieve high performance on new tasks. Through extensive ablation studies, we provide insights into the optimal masking ratio, architectural choices, and training strategies.

cs.LG↗

arXiv2024

Retraction of levitating drops

This theoretical and numerical study focuses on the physical mechanisms driving the retraction of levitating Newtonian micrometric/millimetric/centimetric drops surrounded by air and under zero-gravity conditions. The drops present a pancake-like initial shape, gradually converging towards a spherical one under surface tension effects. Three drop retraction regimes are observed: capillary-inertial; mixed capillary-inertio-viscous; and capillary-viscous. In the first regime, the retraction is essentially driven by a competition between capillary pressure and inertial stresses, which induces a complex flow with equivalent shear, uniaxial and biaxial components. As the viscous stress becomes comparable to the capillary and the inertial stresses, the second regime emerges while shear-based deformations tend to vanish. Lastly, the third regime is dominated by a balance between capillary and viscous stresses, essentially exhibiting axial deformation. These physical features are underlined through multiphase three-dimensional numerical simulations and analysed in light of retraction dynamics, energy transfer and scaling laws. Our results are rationalised in a two-dimensional diagram linking the drop retraction time with the observed retraction regimes through a single dimensionless parameter combining capillary, inertial, viscous and geometrical effects, i.e., the retraction number.

physics.flu-dyn↗

arXiv2024

Multi-Grid Graph Neural Networks with Self-Attention for Computational Mechanics

Advancement in finite element methods have become essential in various disciplines, and in particular for Computational Fluid Dynamics (CFD), driving research efforts for improved precision and efficiency. While Convolutional Neural Networks (CNNs) have found success in CFD by mapping meshes into images, recent attention has turned to leveraging Graph Neural Networks (GNNs) for direct mesh processing. This paper introduces a novel model merging Self-Attention with Message Passing in GNNs, achieving a 15\% reduction in RMSE on the well known flow past a cylinder benchmark. Furthermore, a dynamic mesh pruning technique based on Self-Attention is proposed, that leads to a robust GNN-based multigrid approach, also reducing RMSE by 15\%. Additionally, a new self-supervised training method based on BERT is presented, resulting in a 25\% RMSE reduction. The paper includes an ablation study and outperforms state-of-the-art models on several challenging datasets, promising advancements similar to those recently achieved in natural language and image processing. Finally, the paper introduces a dataset with meshes larger than existing ones by at least an order of magnitude. Code and Datasets will be released at https://github.com/DonsetPG/multigrid-gnn.

cs.LG↗

arXiv2024

Beacon, a lightweight deep reinforcement learning benchmark library for flow control

Recently, the increasing use of deep reinforcement learning for flow control problems has led to a new area of research, focused on the coupling and the adaptation of the existing algorithms to the control of numerical fluid dynamics environments. Although still in its infancy, the field has seen multiple successes in a short time span, and its fast development pace can certainly be partly imparted to the open-source effort that drives the expansion of the community. Yet, this emerging domain still misses a common ground to (i) ensure the reproducibility of the results, and (ii) offer a proper ad-hoc benchmarking basis. To this end, we propose Beacon, an open-source benchmark library composed of seven lightweight 1D and 2D flow control problems with various characteristics, action and observation space characteristics, and CPU requirements. In this contribution, the seven considered problems are described, and reference control solutions are provided. The sources for the following work are available at https://github.com/jviquerat/beacon.

physics.comp-ph↗

arXiv2023

Proposal for Numerical Benchmarking of Fluid-Structure Interaction in Cerebral Aneurysms

Computational fluid dynamics is intensively used to deepen the understanding of aneurysm growth and rupture in the attempt to support physicians during therapy planning. Numerous studies have assumed fully-rigid vessel walls in their simulations, whose sole hemodynamics may fail to provide a satisfactory criterion for rupture risk assessment. Moreover, direct in-vivo observations of intracranial aneurysm pulsation have been recently reported, encouraging the development of fluid-structure interaction for their modelling and for new assessments. In this work, we describe a new fluid-structure interaction benchmark setting for the careful evaluation of different aneurysm shapes. The studied configurations consist of three real aneurysm domes positioned on a toroidal channel. All geometric features, meshing characteristics, flow quantities, comparisons with a rigid-wall model and corresponding plots are provided. Reported results emphasize the alteration of flow patterns and hemodynamic descriptors when moving from the rigid-wall model to the complete fluid-structure interaction framework, thereby underlining the importance of the coupling between hemodynamics and the surrounding vessel tissue.

physics.flu-dyn↗

arXiv2023

Autoregressive Transformers for Data-Driven Spatio-Temporal Learning of Turbulent Flows

A convolutional encoder-decoder-based transformer model is proposed for autoregressively training on spatio-temporal data of turbulent flows. The prediction of future fluid flow fields is based on the previously predicted fluid flow field to ensure long-term predictions without diverging. A combination of convolutional neural networks and transformer architecture is utilized to handle both the spatial and temporal dimensions of the data. To assess the performance of the model, a priori assessments are conducted, and significant agreements are found with the ground truth data. The a posteriori predictions, which are generated after a considerable number of simulation steps, exhibit predicted variances. The autoregressive training and prediction of a posteriori states are deemed crucial steps towards the development of more complex data-driven turbulence models and simulations. The highly nonlinear and chaotic dynamics of turbulent flows can be handled by the proposed model, and accurate predictions over long time horizons can be generated. Overall, the potential of using deep learning techniques to improve the accuracy and efficiency of turbulence modeling and simulation is demonstrated by this approach. The proposed model can be further optimized and extended to incorporate additional physics and boundary conditions, paving the way for more realistic simulations of complex fluid dynamics.

physics.flu-dyn↗