arXiv:2509.01416cs.LG2025-09被引 3

用神经算子加速微分方程求解,仅需一次训练即可外推到多种参数场景。

MD-PNOP: Equation-Recast Neural Operators for Minimal-Data Extrapolation and PDE Solver Acceleration

  • 将参数变化转化为源项,重构方程以实现无需重训的外推。
  • 在多种参数分布下计算时间减少约50%,精度与全阶模拟一致。
  • 适用于核能等需要物理保真的高要求场景,兼容不同神经网络结构。

传统偏微分方程(PDE)数值求解器的计算开销仍是大规模参数分析与设计优化的关键瓶颈。我们提出最小数据参数化神经算子预处理框架(MD-PNOP),通过重构方程形式,在严格保留物理约束的前提下加速参数化PDE求解。针对神经算子外推能力不足的问题,将参数引起的算子差异转化为附加源项,并结合预训练神经算子嵌入迭代求解流程。该方程重构策略使模型可从单一训练配置推广至广泛未见参数设置,无需重新训练。神经算子预测结果作为改进初值输入迭代求解器,显著降低收敛迭代次数且不牺牲精度。相比纯数据驱动方法,MD-PNOP确保控制方程完全满足,避免物理失真或可解释性丧失。该框架具有架构无关性,已在中子输运问题的玻尔兹曼输运方程求解中验证,采用DeepONet与FNO两种模型。数值结果表明,单组常数参数训练的神经算子可成功加速含异质、正弦及间断参数分布的求解。对固定源、单群本征值及多群耦合本征值问题,均实现约50%的计算时间减少,同时保持全阶精度。

原文摘要 · Abstract (English)

The computational overhead of traditional numerical solvers for partial differential equations (PDEs) remains a critical bottleneck for large-scale parametric studies and design optimization. We introduce a Minimal-Data Parametric Neural Operator Preconditioning (MD-PNOP) framework, which establishes a new strategy for accelerating parametric PDE solvers while strictly preserving physical constraints. To address the extrapolation limitation of neural operators, parameter-induced operator difference is recast as additional source terms and incorporated into an iterative solution scheme using a pretrained neural operator. This equation-recast formulation enables systematic parameter extrapolation from a single training configuration to a broad range of unseen parameter settings without retraining. The neural operator predictions are then embedded into iterative PDE solvers as improved initial guesses, thereby reducing convergence iterations without sacrificing accuracy. Unlike purely data-driven approaches, MD-PNOP guarantees that the governing equations remain fully enforced, eliminating concerns regarding loss of physics or interpretability. The framework is architecture-agnostic and is demonstrated using both DeepONet and FNO for Boltzmann transport equation solvers in neutron transport applications. Numerical results demonstrate that neural operators trained on a single set of constant parameters successfully accelerate solutions with heterogeneous, sinusoidal, and discontinuous parameter distributions. Moreover, MD-PNOP consistently achieves approximately 50% reduction in computational time while maintaining full-order fidelity for fixed-source, single-group eigenvalue, and multigroup coupled eigenvalue problems.

神经算子PDE求解加速计算外推

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