arXiv:2607.28456math.NAcs.LG2026-07KDD

用图神经网络构建多层预条件器,提升科学计算中大规模线性方程求解效率。

Graph Neural Multilevel Preconditioners for Iterative Solvers

论文配图:Graph Neural Multilevel Preconditioners for Iterative Solvers
图 1 · 摘自论文原文
  • 基于AMG层次结构设计,统一学习平滑、限制与插值算子。
  • 在800多个稀疏矩阵上测试,部分场景收敛速度提升显著。
  • 适合需要高效求解稀疏线性系统的科研计算人群。

求解大规模稀疏线性系统是科学计算的核心任务,高效迭代求解器高度依赖有效的预条件技术。尽管经典代数多重网格(AMG)方法具有高度可扩展性,但在不定或非对称系统上鲁棒性下降,因原本为椭圆型偏微分方程设计的启发式策略不再可靠。近年来,图神经网络(GNN)作为数据驱动的预条件器崭露头角;然而,将AMG式层次结构应用于一般稀疏矩阵的实践影响仍不明确。本文提出图神经多层预条件器(GMP),以AMG层次结构为结构先验,统一学习平滑、限制与插值算子。该方法适用于一般稀疏系统,并可直接嵌入标准Krylov求解器。我们在超过800个稀疏矩阵的基准上,对比经典AMG、单层ILUT及最先进的GNN预条件器,揭示了多层图神经预条件在某些场景下可加速收敛,而在其他情况下反而引入开销。结果表明,强制使用AMG式多层结构在学习型预条件器中既具潜力也存在局限性。

原文摘要 · Abstract (English)

Solving large, sparse linear systems is a core task in scientific computing, and efficient iterative solvers rely critically on effective and robust preconditioning. While classical methods such as algebraic multigrid (AMG) are highly scalable, their robustness can degrade on indefinite or nonsymmetric systems where heuristics originally developed for elliptic PDEs are less reliable. Recently, Graph Neural Networks (GNNs) have emerged as data-driven preconditioners; yet, the practical impact of imposing an AMG-style hierarchy remains underexplored for general sparse matrices. In this work, we propose a Graph Neural Multilevel Preconditioner (GMP) that adopts an AMG hierarchy as a structural prior and learns smoothing, restriction, and interpolation operators in a unified framework. Our method targets general sparse systems and is instantiated as a drop-in preconditioner for standard Krylov solvers. On a benchmark of over 800 sparse matrices, we compare against classical AMG, single-level ILUT, and state-of-the-art GNN preconditioners, and characterize the regimes where multilevel graph neural preconditioning improves convergence or, conversely, introduces overhead relative to strong single-level baselines. These results highlight both the promise and the limitations of enforcing AMG-style multilevel structure in learned preconditioners for large-scale scientific simulations.

预条件器图神经网络线性系统求解

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