MIGONet: a multiple-input graph neural operator with solver-free discrete manufactured-solution training

Mesh-free numerical methods provide flexible discretisations for complex geometries; however, classical meshless discrete differential operators typically trade low computational cost for limited accuracy or high accuracy for substantial per-stencil computation. We introduce a parametrised framework for learning mesh-free discrete differential operators using a graph neural network trained via polynomial moment constraints derived from truncated Taylor expansions. The model maps local stencils relative positions directly to discrete operator weights. The current work demonstrates that neural networks can learn classical polynomial consistency while retaining robustness to irregular neighbourhood geometry. The learned operators depend only on local geometry, are resolution-agnostic, and can be reused across particle configurations and governing equations. We evaluate the framework using standard numerical analysis diagnostics, showing improved accuracy over Smoothed Particle Hydrodynamics, and a favourable accuracy-cost trade-off relative to a representative high-order consistent mesh-free method in the moderate-accuracy regime. Applicability is demonstrated by solving the weakly compressible Navier-Stokes equations using the learned operators.

Training neural operators on million-cell meshes can exceed GPU memory limits. Models are therefore trained on subsamples and deployed on whole meshes or selected regions. However, subsampling can distort boundary information, degrading accuracy. We ask when boundary conditioning under sampling stays consistent with whole-mesh training, and how to aggregate and inject boundary data. Representing the solution as an integral of boundary data against type-dependent measures, we show that subsampling distorts this conditioning in three ways: incomplete boundary coverage or a sample-dependent global state, face weighting by count rather than area, and compression of boundary inputs into a low-dimensional vector. This analysis yields four measurable consistency conditions checkable before training. We satisfy them with two backbone-agnostic modules. Boundary Quadrature Attention (BQA) aggregates all boundary faces, typed and area-weighted, into slice tokens that every query point reads at every layer. Anchored Global State (AGS) estimates the global state from anchors independent of the sampled points. Adding both to a scalable message-passing and slice-attention backbone yields SCANO. We evaluate the approach on controlled and public benchmarks and a data-centre thermal simulation dataset (DCTS) containing million-cell meshes. On both benchmarks, BQA improves every backbone, reducing whole-mesh error up to 15-fold. On all three datasets, AGS aligns regional with whole-mesh predictions, cutting regional error at least tenfold for most backbones on the public benchmark. Together, the modules nearly halve the best original backbone's whole-mesh error on both benchmarks. SCANO predicts a room-scale field in under one second, over 100 times faster than whole-room anchor self-attention.

Neural surrogates are widely used in scientific machine learning for fast prediction of three-dimensional (3D) thermo-fluid fields. However, generating training data using conventional numerical solvers often incurs substantial computational and storage costs. We propose to train an attention graph neural network by minimizing the finite-volume method (FVM) residuals of the governing equations. These residuals are evaluated directly on the mesh, requiring no labeled data. We evaluate the trained surrogates against computational fluid dynamics (CFD) references and a data-supervised baseline across four scenarios. On the two steady-state benchmarks, each solved on the same mesh as its CFD reference, the FVM-loss model reproduces the reference flow and temperature fields with mean field-averaged normalized root-mean-square errors (nRMSEs) near 3%, including the buoyancy-energy coupling. On the two parametric transient cases, the FVM-loss model attains lower rollout errors than the supervised baseline in almost every field, while avoiding the data-generation cost entirely. These results indicate that the FVM loss can provide a practical training signal for neural surrogates and reduce the model development cost.