arXiv:2409.11138cs.LGcs.AI2024-09被引 2

用对称映射学习通用哈密顿量,提升物理系统建模精度。

Learning Generalized Hamiltonians using fully Symplectic Mappings

  • 基于对称映射构建可微分哈密顿模型,保持能量守恒机制。
  • 在噪声观测下仍能准确重建哈密顿量,非可分系统表现优异。
  • 适合需要长期稳定预测的物理系统建模任务,如复杂动力学仿真。

许多重要物理系统可描述为哈密顿系统的演化,其关键特性是能量守恒。物理信息神经网络(PINN)特别是哈密顿神经网络(HNN),通过引入结构归纳偏置,使模型具备物理不变性,从而显著提升样本效率和分布外泛化能力。从系统观测数据中学习哈密顿量作为位置与速度等共轭变量的函数,成为系统识别与长期行为预测的关键任务。然而,为真正保持哈密顿系统的长期物理守恒性质,必须在前向传播中使用辛积分器。尽管已有研究采用辛方案,但此前仅限于可显式求解的情况,如可分哈密顿量或扩展的不可分哈密顿量。本文将方法推广至广义不可分哈密顿量,并利用辛积分器的自伴性质,避免了对常微分方程求解器进行反向传播的计算开销。数值实验表明,该方法对噪声具有鲁棒性,在状态变量受噪声干扰时仍能良好逼近真实哈密顿量,尤其在不可分系统上表现突出,验证了其在哈密顿量重构与守恒性方面的优势。

原文摘要 · Abstract (English)

Many important physical systems can be described as the evolution of a Hamiltonian system, which has the important property of being conservative, that is, energy is conserved throughout the evolution. Physics Informed Neural Networks and in particular Hamiltonian Neural Networks have emerged as a mechanism to incorporate structural inductive bias into the NN model. By ensuring physical invariances are conserved, the models exhibit significantly better sample complexity and out-of-distribution accuracy than standard NNs. Learning the Hamiltonian as a function of its canonical variables, typically position and velocity, from sample observations of the system thus becomes a critical task in system identification and long-term prediction of system behavior. However, to truly preserve the long-run physical conservation properties of Hamiltonian systems, one must use symplectic integrators for a forward pass of the system's simulation. While symplectic schemes have been used in the literature, they are thus far limited to situations when they reduce to explicit algorithms, which include the case of separable Hamiltonians or augmented non-separable Hamiltonians. We extend it to generalized non-separable Hamiltonians, and noting the self-adjoint property of symplectic integrators, we bypass computationally intensive backpropagation through an ODE solver. We show that the method is robust to noise and provides a good approximation of the system Hamiltonian when the state variables are sampled from a noisy observation. In the numerical results, we show the performance of the method concerning Hamiltonian reconstruction and conservation, indicating its particular advantage for non-separable systems.

哈密顿网络物理信息辛积分系统识别

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