Graph Neural Multilevel Preconditioners for Iterative Solvers

The scalable solution of large sparse linear systems is a bottleneck in scientific computing and graph analysis. While algebraic multigrid (AMG) offers optimal linear scaling, its performance is severely constrained by the trade-off between the sparsity and convergence quality of coarse-grid operators. Classical AMG heuristics struggle to balance these objectives, often sacrificing stability or performance for sparsity. We propose RAPNet, a graph neural network (GNN) framework that resolves this trade-off by learning to generate sparse, robust coarse operators directly from the sparse algebraic system. Key to our approach is a level-wise training strategy that enables learning from small subgraphs and generalization to million-node domains, bypassing the bottlenecks of prior neural AMG attempts. RAPNet executes exclusively during the solver setup phase, ensuring that the solve phase retains its favorable computational properties. We show that our method outperforms classical non-Galerkin baselines on diverse PDE discretizations and graph Laplacians, making it particularly effective for multi-query tasks such as eigenproblems, time-dependent simulations, and inverse or design problems.

Neural preconditioners for real-time physics simulation offer promising data-driven priors, but they often fail to capture long-range couplings efficiently because they inherit local message passing or sparse-operator access patterns. We introduce the Hierarchical Transformer Preconditioner, a neural preconditioner anchored to a weak-admissibility H-matrix partition. The partition provides a multiscale structural prior (dense diagonal leaves plus coarsening off-diagonal tiles) that enables full-graph approximate-inverse computation with O(N) scaling at fixed block sizes. The network models the inverse through low-rank far-field factors and uses highway connections (axial buffers plus a global summary token) to propagate context across transformer depth. At each PCG iteration, preconditioner application reduces to batched dense GEMMs with regular memory access. The key training contribution is a cosine-Hutchinson probe objective that learns the action of MA on convergence-critical spectral subspaces, optimizing angular alignment of MAz with z rather than forcing eigenvalue clusters to a prescribed location. This removes unnecessary spectral-placement constraints from SAI-style objectives and improves conditioning on irregular spectra. Because both inference and apply are dense, dependency-free tensor programs, the full solve loop is captured as a single CUDA Graph. On stiff multiphase Poisson systems (up to 100:1 density contrast, N = 1,024-16,384), the solver runs from ~143 to ~21 fps. At N = 8,192, it reaches 17.9 ms/frame, with 2.2x speedup over GPU Jacobi, ~28x over GPU IC/DILU (AMGX multicolor_dilu), and 2.7x over neural SPAI retrained per scale on the same benchmark.

Solving the pressure-Poisson equation remains the primary computational bottleneck in incompressible unstructured flow solvers primarily due to the inherent sensitivity of traditional linear solvers to mesh irregularities. This work introduces a data-driven algebraic multigrid (AMG) smoother that uses a modified graph convolutional isomorphism network (GCIN). The graph neural network predicts optimal polynomial coefficients to construct a sparse pseudo-inverse operator across diverse grid topologies. The coefficients are optimized to reduce the residual after each V-cycle iteration. By directly capturing the algebraic structure of the system from the sparse coefficient matrix, the proposed method maintains the solver's linearity while adapting to local anisotropies in unstructured grids. Our framework demonstrates significant performance gains by reducing the number of V-cycles required for a given tolerance and delivering wall-clock speedups from 4% to 37% across diverse benchmarks. Notably, the model exhibits robust generalization by maintaining efficiency on meshes up to 128 times larger than those seen in training, and by accelerating the solver's convergence on unseen industry-relevant problems such as the AirfRANS dataset.