arXiv:2604.00473cs.LGmath.DS2026-04

用拉格朗日描述符评估哈密顿神经网络的相空间完整性

Phase space integrity in neural network models of Hamiltonian dynamics: A Lagrangian descriptor approach

  • 引入拉格朗日描述符量化相空间几何结构,超越传统轨迹误差
  • 对称架构保能量但扭曲相空间拓扑,而残差计算模型更准确复现同宿轨道
  • 适合研究物理模型泛化能力与动力系统建模质量的科研人员

我们提出拉格朗日描述符(LDs)作为评估哈密顿系统神经网络模型的诊断框架,突破传统基于轨迹的度量局限。标准误差仅反映短期预测精度,难以揭示轨道、分离子等全局几何结构。现有耗散系统评估工具因系统本质差异不适用于哈密顿系统。通过构建以LD值加权的概率密度函数,将几何信息嵌入信息论适配的统计框架。我们在杜芬振子和三模非线性薛定谔方程两个典型系统上,对比了物理约束架构(SympNet、HénonNet、广义哈密顿神经网络)与数据驱动的残差计算模型。在杜芬振子中,所有模型均以少量数据恢复同宿轨道几何;而在三模非线性薛定谔方程中,对称架构虽保持能量守恒却扭曲相空间拓扑,残差计算模型虽无显式物理约束,却以高保真度重现同宿结构。结果表明,基于LD的诊断可有效评估模型的预测性能与全局动力学完整性。

原文摘要 · Abstract (English)

We propose Lagrangian Descriptors (LDs) as a diagnostic framework for evaluating neural network models of Hamiltonian systems beyond conventional trajectory-based metrics. Standard error measures quantify short-term predictive accuracy but provide little insight into global geometric structures such as orbits and separatrices. Existing evaluation tools in dissipative systems are inadequate for Hamiltonian dynamics due to fundamental differences in the systems. By constructing probability density functions weighted by LD values, we embed geometric information into a statistical framework suitable for information-theoretic comparison. We benchmark physically constrained architectures (SympNet, HénonNet, Generalized Hamiltonian Neural Networks) against data-driven Reservoir Computing across two canonical systems. For the Duffing oscillator, all models recover the homoclinic orbit geometry with modest data requirements, though their accuracy near critical structures varies. For the three-mode nonlinear Schrödinger equation, however, clear differences emerge: symplectic architectures preserve energy but distort phase-space topology, while Reservoir Computing, despite lacking explicit physical constraints, reproduces the homoclinic structure with high fidelity. These results demonstrate the value of LD-based diagnostics for assessing not only predictive performance but also the global dynamical integrity of learned Hamiltonian models.

哈密顿系统相空间神经网络动力学建模

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