用物理约束的神经算子加速相场模型模拟,兼顾精度与速度。
DeepRitzSplit Neural Operator for Phase-Field Models via Energy Splitting

- 结合能量分解与深度里茨法,训练神经算子逼近相场方程变分形式。
- 在各向同性与各向异性生长模拟中,推理速度超越傅里叶谱方法。
- 物理约束训练提升分布外泛化能力,适合复杂相变仿真场景。
固态凝固的相场模型具有多尺度和非线性特征,需精细时空离散,导致计算耗时。可通过人工智能方法缓解。基于神经算子的代理模型相比传统数值离散方法计算成本更低。本文提出一种新神经算子方法,将经典凸-凹分裂格式与物理信息学习相结合,加速相场模型仿真。该方法基于深度里茨法,训练神经算子以逼近相场模型的变分形式;通过能量分裂变分形式训练,确保底层模型的能量耗散性质。进一步设计专用于模型算子的反应-扩散神经算子(RDNO)架构。成功应用于各向同性Allen-Cahn方程及各向异性枝晶生长模拟。结果表明,物理信息训练在分布外评估中表现优于数据驱动训练,同时推理速度超过传统傅里叶谱方法。
原文摘要 · Abstract (English)
The multi-scale and non-linear nature of phase-field models of solidification requires fine spatial and temporal discretization, leading to long computation times. This could be overcome with artificial-intelligence approaches. Surrogate models based on neural operators could have a lower computational cost than conventional numerical discretization methods. We propose a new neural operator approach that bridges classical convex-concave splitting schemes with physics-informed learning to accelerate the simulation of phase-field models. It consists of a Deep Ritz method, where a neural operator is trained to approximate a variational formulation of the phase-field model. By training the neural operator with an energy-splitting variational formulation, we enforce the energy dissipation property of the underlying models. We further introduce a custom Reaction-Diffusion Neural Operator (RDNO) architecture, adapted to the operators of the model equations. We successfully apply the deep learning approach to the isotropic Allen-Cahn equation and to anisotropic dendritic growth simulation. We demonstrate that our physically-informed training provides better generalization in out-of-distribution evaluations than data-driven training, while achieving faster inference than traditional Fourier spectral methods.
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