arXiv:2505.01060cs.LGcs.NA2025-05被引 3

提出新模型让材料模拟更稳定可靠,避免错误结果。

Monotone Peridynamic Neural Operator for Nonlinear Material Modeling with Conditionally Unique Solutions

  • 用神经算子学习材料非局部响应,约束梯度保证解唯一性
  • 在合成数据上逼近真实模型,新加载工况误差更低
  • 适合需要物理可信的材料建模与仿真场景

数据驱动方法已成为直接从实验数据中建模复杂非线性材料响应的强大工具。其中,数据驱动本构模型在物理可解释性和跨边界条件/域设置的泛化能力方面具有优势。然而,这些学习模型的适定性通常无法事先保证,导致下游仿真任务中易产生非物理解。本文提出单调非局部神经算子(MPNO),一种基于神经算子的新颖数据驱动非局部本构模型学习方法。该方法同时学习非局部核与非线性本构关系,并通过单调梯度网络架构确保解的唯一性。该架构对梯度的约束诱导出学习能量密度函数的凸性,从而在小变形范围内保证MPNO解的唯一性。为验证方法有效性,我们在合成与真实世界数据集上进行评估。在人工构造核与本构关系的合成数据集上,理论与数值结果均表明,随着测量网格尺寸减小,学习模型收敛至真实解。此外,与传统神经网络相比,MPNO在新且未见过的载荷下表现出更优的泛化能力,下游位移解误差更小。最后,我们通过从分子动力学数据中学习均质化模型展示了该方法的实际应用价值,凸显其表达力与现实场景中的鲁棒性。

原文摘要 · Abstract (English)

Data-driven methods have emerged as powerful tools for modeling the responses of complex nonlinear materials directly from experimental measurements. Among these methods, the data-driven constitutive models present advantages in physical interpretability and generalizability across different boundary conditions/domain settings. However, the well-posedness of these learned models is generally not guaranteed a priori, which makes the models prone to non-physical solutions in downstream simulation tasks. In this study, we introduce monotone peridynamic neural operator (MPNO), a novel data-driven nonlocal constitutive model learning approach based on neural operators. Our approach learns a nonlocal kernel together with a nonlinear constitutive relation, while ensuring solution uniqueness through a monotone gradient network. This architectural constraint on gradient induces convexity of the learnt energy density function, thereby guaranteeing solution uniqueness of MPNO in small deformation regimes. To validate our approach, we evaluate MPNO's performance on both synthetic and real-world datasets. On synthetic datasets with manufactured kernel and constitutive relation, we show that the learnt model converges to the ground-truth as the measurement grid size decreases both theoretically and numerically. Additionally, our MPNO exhibits superior generalization capabilities than the conventional neural networks: it yields smaller displacement solution errors in down-stream tasks with new and unseen loadings. Finally, we showcase the practical utility of our approach through applications in learning a homogenized model from molecular dynamics data, highlighting its expressivity and robustness in real-world scenarios.

材料建模神经算子非局部稳定性

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