Graph Neural Operators

Morphodynamic simulations require repeated coupling between hydrodynamic solvers, sediment transport modules, and bed updating. For long duration, multi-scenario simulations on large unstructured meshes, such coupling is computationally demanding. This study proposes an Adaptive-Horizon Graph Neural Operator (AH-GNO) that formulates bed evolution as a graph operator learning problem from recent hydrodynamic and topographic states to predict future bed elevation increments. The model operates directly on the native unstructured meshes. The approach integrates area-weighted graph learning, historical state selection, and forecast horizon estimation, allowing the effective history length (K) and update interval (B) to vary with the evolving flow and bed state. Using Telemac2D/GAIA solutions as supervised numerical references, the framework is evaluated on the official Bump and Yen bend benchmarks and on a field-scale application (Waiho River, New Zealand). Results show that the AH-GNO reproduces the main patterns of bedform migration, bend-scale erosion and deposition, and localized bed adjustment. Across the three cases, the tested CPU-GPU deployment reduced post-training bed-update workflow time from 121204 s with GAIA to 0.083.34 s with AH-GNO. This improvement corresponds to deployment-specific accelerations of approximately 150360 times relative to 4-core GAIA CPU configurations, and with 105186 times gains for 20-core CPU configurations. These results suggest that, while retaining hydrodynamic feedback from TELEMAC-2D, a learned operator for bed updating can provide an efficient acceleration component for morphodynamic scenario analysis and rapid coupled simulation.

The penetration-resistant design of concrete structures requires the spatiotemporal evolution of the stress field within the target, whereas in design only the strength grade, the geometry and the projectile parameters are known, and the aggregate arrangement is not. Empirical formulae and scalar-output surrogates serve design screening, and mesoscale finite element models resolve the aggregate-scale response, but one solution cannot cover random aggregate samples at scale, and no framework links mesoscale heterogeneity to field-level prediction. A physics-coupled graph neural operator (PC-GNO) is proposed, which learns in function space the evolution of the mid-plane six-component stress tensor field. The training data are generated by full-scale, aggregate-resolved finite element models and comprise 359 cases at the impact velocities of 100, 135 and 165 m/s, corresponding to compressive strengths of 14, 23 and 48 MPa; the data source is verified by laboratory measurements. The coupling strength of message passing is constructed from the impedance contrast across the material interface, and the update is constrained by spectral normalization. Under the single-step primary setting, the mean accuracy of the three levels is 80.16% (91.45%, 77.80% and 71.22%), i.e. 27.81, 42.46 and 34.16 percentage points above the preceding-frame field of the same window; with 20 664 parameters it exceeds the 87.9% of the best Fourier neural operator configuration (about 812 times as many parameters) and the 71.0% of the closed-form linear regression. The output is the complete six-component tensor field rather than a fixed engineering quantity, so that strength criteria and energy indicators follow from one set of weights. For field-level response prediction in concrete penetration, this result provides a data-driven route, with conditions of applicability defined by the training and the evaluation.

Graph Neural Operators (GNOs) provide flexible surrogate models for learning solution operators of partial differential equations (PDEs). However, standard GNOs typically parameterize the integral kernel with a monolithic neural network and evaluate kernel interactions over graph edges, leading to substantial computational and memory overhead at high resolutions or with large neighborhoods. To address these limitations, we propose Functional Tensor Decomposition Graph Neural Operator (FTD-GNO), a memory-efficient GNO framework that decouples the high-dimensional continuous integral kernel into low-dimensional mode-wise functions. By instantiating the kernel with classical tensor decomposition formats, including CP, Tensor-Train, and Tucker decompositions, FTD-GNO enables algebraic reconstruction of the integral operator without explicitly materializing full edge-wise kernel tensors. This factorized formulation reduces the memory footprint of kernel evaluation and aggregation while retaining the continuous operator-learning structure of GNOs. Theoretical complexity analysis shows that FTD-GNO substantially lowers parameter and activation-memory costs associated with high-dimensional kernel construction. Experiments show lower peak memory than the corresponding unfactorized graph-integral baselines, with shorter recorded training times. Fourier-graph experiments further demonstrate that FTD can improve the efficiency of a graph-integral layer within a hybrid operator and has good scalability.

Although the impact resistance of concrete has been studied extensively, a framework linking mesoscale heterogeneity to full-field stress-tensor prediction has been lacking. Data were generated with a full-scale aggregate-resolved LS-DYNA model (projectile diameter 45 mm, mass 2.13 kg, target diameter 500 mm x thickness 200 mm, mesh 10 mm), verified against published penetration experiments (Frew 2006, Hanchak 1992, Forrestal 1996) by configuration similarity. The dataset contains six-component stress-tensor fields on the X-Z mid-plane for 400 cases (4 impact velocities x 100 aggregate seeds). Three contributions are reported. First, case-by-case verification of the terminal penetration state delimited the rest-state validity of penetration depth and anchored reliable observables to rigid-body motion and field-level stress evolution. Second, a field-level graph neural operator surrogate learned the time-varying stress-field evolution and evaluated cross-velocity leave-one-out extrapolation. Third, the full-scale, aggregate-resolved, cross-velocity, per-seed database was established as a reproducible resource. Cases at 100, 135 and 200 m/s still moved at window end (negative velocity, i.e. rebound), and only one 165 m/s case arrested. Penetration depth is therefore not reported as a rest-state scalar except for the single arrested case (69.33 mm); nose-node depth differences were confirmed as numerical artifacts of displacement integration after erosion. The single-step relative L2 error was 0.6977, reported honestly; autoregressive rollout from frame 11 to 39 took about 144 ms, a speedup of about 3.6x10^3 to 4.3x10^3 relative to single-core LS-DYNA, reported as application value. Validation is bounded by configuration similarity and field-level self-consistency; the framework is a simulation-trained decision-support method within the studied parameter space.

Score-based diffusion models in infinite-dimensional function spaces provide a mathematically principled framework for modelling function-valued data, offering key advantages such as resolution invariance and the ability to handle irregular discretisations. However, practical implementations have struggled to fully realise these benefits. Existing backbones like Fourier neural operators are often biased towards regular grids and fail to generalise to complex domain topologies. We propose a novel architecture for function-space diffusion models that represents generalised graph convolutional kernels as finite element functions, enabling the model to naturally handle unstructured meshes and complex geometries. We demonstrate the efficacy of our network architecture through a series of unconditional and conditional sampling experiments across diverse geometries, including non-convex and multiply-connected domains. Our results show that the proposed method maintains resolution invariance and achieves high fidelity in capturing functional distributions on non-trivial geometries.

We propose an arbitrary Lagrangian-Eulerian (ALE)-consistent machine learning framework for long-term fluid-structure interaction (FSI) prediction on deforming unstructured meshes. Specifically, the fluid dynamics are modeled by a surrogate that combines a graph neural operator (GNO) with a vision Transformer (ViT) for spatiotemporal prediction, while a lightweight long short-term memory (LSTM) network predicts structural kinematics at the interface. The two surrogates are coupled through a standard partitioned procedure. Most importantly, kinematic compatibility at the moving interface is enforced via an ALE-consistent boundary-correction step that updates the fluid-side interface velocity with the predicted structural velocity at each coupling update, thereby improving near-interface accuracy and long-term rollout stability. To mitigate autoregressive error accumulation, a two-stage training strategy is adopted, consisting of single-step supervised pretraining followed by long-term autoregressive fine-tuning. The proposed framework is validated on the benchmark problem of a flexible beam vibration in the wake of a cylinder. Results demonstrate accurate phase-consistent predictions over long rollouts and robust generalization under inlet-profile variations in both interpolation and extrapolation settings. Systematic ablation studies further assess the respective contributions of the ViT module, ALE-consistent boundary correction, and long-term training to predictive accuracy and rollout robustness.

Computational Fluid Dynamics (CFD) is central to race-car aerodynamic development, yet its cost -- tens of thousands of core-hours per high-fidelity evaluation -- severely limits the design space exploration feasible within realistic budgets. AI-based surrogate models promise to alleviate this bottleneck, but progress has been constrained by the limited complexity of public datasets, which are dominated by smoothed passenger-car shapes that fail to exercise surrogates on the thin, complex, highly loaded components governing motorsport performance. This work presents three primary contributions. First, we introduce a high-fidelity RANS dataset built on a parametric LMP2-class CAD model and spanning six operating conditions (map points) covering straight-line and cornering regimes, generated and validated by aerodynamics experts at Dallara to preserve features relevant to industrial motorsport. Second, we present the Gauge-Invariant Spectral Transformer (GIST), a graph-based neural operator whose spectral embeddings encode mesh connectivity to enhance predictions on tightly packed, complex geometries. GIST guarantees discretization invariance and scales linearly with mesh size, achieving state-of-the-art accuracy on both public benchmarks and the proposed race-car dataset. Third, we demonstrate that GIST achieves a level of predictive accuracy suitable for early-stage aerodynamic design, providing a first validation of the concept of interactive design-space exploration -- where engineers query a surrogate in place of the CFD solver -- within industrial motorsport workflows.

Predicting full-field physics through the real-time virtual sensing of engineering systems can enhance limited physical sensors but often requires sparse-to-dense reconstruction, complex multiphysics, and highly irregular geometries as well as strict latency and energy constraints for edge-deployability. Neural operators have been presented as a potential candidate for such applications but few architectures exist that explicitly address power consumption. Spiking neuron integration can provide a potential solution when integrated on neuromorphic hardware but the current existing neuron models result in severe performance degradation towards regression-based virtual sensing. To address the performance concerns and edge-constraints, we present the Variable Spiking Graph Neural Operator (VS-GNO) which integrates a sophisticated spectral-spatial convolutional analysis and a previously developed Variable Spiking Neuron (VSN) and energy-error balance loss function. With a non-spiking $L_2$ error baseline of $0.4\%$, VS-GNO can provide a reconstruction error of $0.71\%$ with $15\%$ average spiking in its spectral-only form and $1.04\%$ with $24.5\%$ spiking in its entire form. These results position VS-GNO as a promising step towards energy-efficient, edge-deployable neural operators for real-time sparse-to-dense virtual sensing in complex, highly irregular engineering environments.

Real-time inference of inaccessible interior physical fields from sparse boundary observations is a fundamental but unresolved problem in scientific machine learning, with direct relevance to safety-critical monitoring across many engineering applications. Existing neural operators achieve high accuracy but leave deployment to embedded edge platforms unaddressed. Here we introduce VIRSO (Virtual Irregular Real-Time Sparse Operator), the first neural operator with a unique spatial-spectral architecture that explicitly addresses edge-deployment hardware. VIRSO learns a nonlinear mapping from sparse, geometrically disjoint boundary inputs to spatially continuous interior multiphysics fields on irregular unstructured meshes through a spectral-spatial decomposition explicitly aligned with hardware execution: a compute-bound graph spectral pathway and a memory-bandwidth-bound spatial-aggregation pathway, each independently characterized on datacenter and embedded accelerators. The design reduces the inference energy-delay product by 29$\times$ relative to the vanilla graph-operator baseline (206 J$\cdot$ms $\to$ 7.0 J$\cdot$ms on an NVIDIA H200) and enables 17.0 samples/s embedded inference on an NVIDIA Jetson Orin Nano within 7.06 W board-level power, without modification. A mesh-density-adaptive graph construction strategy (V-KNN) simultaneously improves accuracy and reduces graph edge count by 34%. Across three benchmarks with reconstruction ratios from 47:1 to 156:1, VIRSO achieves mean relative $L_2$ errors below 1% with fewer parameters than operator baselines and delivers an inference speedup of $\approx 10^4$ times over the high-fidelity reference solver. To our knowledge, this is the first demonstration of a single-digit-watt neural operator, establishing hardware co-design as a missing ingredient in operator-based inference and a tractable path to real-time deployment.

Neural operators on irregular meshes face a fundamental tension. Spectral positional encodings, the natural choice for capturing geometry, require cubic-complexity eigendecomposition and inadvertently break gauge invariance through numerical solver artifacts; existing efficient approximations sacrifice gauge symmetry by design. Both failure modes break discretization invariance: models fail to transfer across mesh resolutions of the same domain, and similarly across different graphs of related structure in inductive settings. We propose GIST (Gauge-Invariant Spectral Transformer), a scalable neural operator that resolves this tension by restricting attention to pairwise inner products of efficient approximate spectral embeddings. We prove these inner products estimate an exactly gauge-invariant graph kernel at end-to-end $\mathcal{O}(N)$ complexity, and establish a formal connection between gauge invariance and discretization-invariant learning with bounded mismatch error. To our knowledge, GIST is the first scalable graph neural operator with a provable discretization-mismatch bound. Empirically, GIST sets state-of-the-art on the AirfRANS, ShapeNet-Car, DrivAerNet, and DrivAerNet++ mesh benchmarks (up to 750K nodes), and additionally matches strong baselines on standard graph benchmarks (e.g., 99.50% micro-F1 on PPI).