论文标题
不可分割的符号神经网络
Nonseparable Symplectic Neural Networks
论文作者
论文摘要
预测哈密顿系统的行为一直在引起科学机器学习的越来越多的关注。然而,绝大多数文献都集中在预测可分离的哈密顿系统,其运动能量和势能项在构建数据驱动的范式时明确地被脱钩,以预测在流体动力学和量子动力学上无与伦比的不可分割的汉密尔顿系统。主要的计算挑战在于有效地嵌入符号先验的人,以描述位置和动量的固有耦合演变,这通常表现出复杂的动力学。为了解决该问题,我们提出了一种新型的神经网络结构,非分离的符号神经网络(NSSNN),以发现并嵌入不可分割的汉密尔顿系统的符号结构,从有限的观察数据中。我们方法的启示力学是增强的符号时间积分器,可以使能量术语和动量术语脱离并促进其进化。我们通过预测各种可分离和不可分割的哈密顿系统(包括混乱的涡流流)来证明我们方法的功效和多功能性。我们通过严格执行符号直观术,展示了我们方法的独特计算优点,以对大规模的汉密尔顿系统产生长期,准确和稳健的预测。
Predicting the behaviors of Hamiltonian systems has been drawing increasing attention in scientific machine learning. However, the vast majority of the literature was focused on predicting separable Hamiltonian systems with their kinematic and potential energy terms being explicitly decoupled while building data-driven paradigms to predict nonseparable Hamiltonian systems that are ubiquitous in fluid dynamics and quantum mechanics were rarely explored. The main computational challenge lies in the effective embedding of symplectic priors to describe the inherently coupled evolution of position and momentum, which typically exhibits intricate dynamics. To solve the problem, we propose a novel neural network architecture, Nonseparable Symplectic Neural Networks (NSSNNs), to uncover and embed the symplectic structure of a nonseparable Hamiltonian system from limited observation data. The enabling mechanics of our approach is an augmented symplectic time integrator to decouple the position and momentum energy terms and facilitate their evolution. We demonstrated the efficacy and versatility of our method by predicting a wide range of Hamiltonian systems, both separable and nonseparable, including chaotic vortical flows. We showed the unique computational merits of our approach to yield long-term, accurate, and robust predictions for large-scale Hamiltonian systems by rigorously enforcing symplectomorphism.