Hamilton–Pontryagin Integrators on Lie Groups Part I: Introduction and Structure-Preserving Properties

In this paper, structure-preserving time-integrators for rigid body-type mechanical systems are derived from a discrete Hamilton–Pontryagin variational principle. From this principle, one can derive a novel class of variational partitioned Runge–Kutta methods on Lie groups. Included among these integrators are generalizations of symplectic Euler and Störmer–Verlet integrators from flat spaces to Lie groups. Because of their variational design, these integrators preserve a discrete momentum map (in the presence of symmetry) and a symplectic form. In a companion paper, we perform a numerical analysis of these methods and report on numerical experiments on the rigid body and chaotic dynamics of an underwater vehicle. The numerics reveal that these variational integrators possess structure-preserving properties that methods designed to preserve momentum (using the coadjoint action of the Lie group) and energy (for example, by projection) lack.     

Symmetric and symplectic exponential integrators for nonlinear Hamiltonian systems

This letter studies symmetric and symplectic exponential integrators when applied to numerically computing nonlinear Hamiltonian systems. We first establish the symmetry and symplecticity conditions of exponential integrators and then show that these conditions are extensions of the symmetry and symplecticity conditions of Runge–Kutta methods. Based on these conditions, some symmetric and symplectic exponential integrators up to order four are derived. Two numerical experiments are carried out and the results demonstrate the remarkable numerical behaviour of the new exponential integrators in comparison with some symmetric and symplectic Runge–Kutta methods in the literature.     

New open modified Newton Cotes type formulae as multilayer symplectic integrators

New modified open Newton Cotes integrators are introduced in this paper. For the new proposed integrators the connection between these new algorithms, differential methods and symplectic integrators is studied. Much research has been done on one step symplectic integrators and several of them have obtained based on symplectic geometry. However, the research on multistep symplectic integrators is very poor. Zhu et al. [1] studied the well known open Newton Cotes differential methods and they presented them as multilayer symplectic integrators. Chiou and Wu [2] studied the development of multistep symplectic integrators based on the open Newton Cotes integration methods. In this paper we introduce a new open modified numerical method of Newton Cotes type and we present it as symplectic multilayer structure. The new obtained symplectic schemes are applied for the solution of Hamilton’s equations of motion which are linear in position and momentum. An important remark is that the Hamiltonian energy of the system remains almost constant as integration proceeds. We have applied also efficiently the new proposed method to a nonlinear orbital problem and an almost periodic orbital problem.     

Two Novel Classes of Arbitrary High-Order Structure-Preserving Algorithms for Canonical Hamiltonian Systems

In this paper, we systematically construct two classes of structure-preserving schemes with arbitrary order of accuracy for canonical Hamiltonian systems. The one class is the symplectic scheme, which contains two new families of parameterized symplectic schemes that are derived by basing on the generating function method and the symmetric composition method, respectively. Each member in these schemes is symplectic for any fixed parameter. A more general form of generating functions is introduced, which generalizes the three classical generating functions that are widely used to construct symplectic algorithms. The other class is a novel family of energy and quadratic invariants preserving schemes, which is devised by adjusting the parameter in parameterized symplectic schemes to guarantee energy conservation at each time step. The existence of the solutions of these schemes is verified. Numerical experiments demonstrate the theoretical analysis and conservation of the proposed schemes.     

Symplectic exponentially-fitted four-stage Runge–Kutta methods of the Gauss type

The construction of symmetric and symplectic exponentially-fitted Runge–Kutta methods for the numerical integration of Hamiltonian systems with oscillatory solutions deserves a lot of interest. In previous papers fourth-order and sixth-order symplectic exponentially-fitted integrators of Gauss type, either with fixed or variable nodes, have been derived. In this paper new such integrators of eighth-order are studied and constructed by making use of the six-step procedure of Ixaru and Vanden Berghe (2004). Numerical experiments for some oscillatory problems are presented.     

High-Order Symplectic and Symmetric Composition Methods for Multi-Frequency and Multi-Dimensional Oscillatory Hamiltonian Systems

The multi-frequency and multi-dimensional adapted Runge-Kutta-Nyström (ARKN) integrators, and multi-frequency and multi-dimensional extended Runge-Kutta-Nyström(ERKN) integrators have been developed to efficiently solve multi-frequency oscillatory Hamiltonian systems. The aim of this paper is to analyze and derive high-order symplectic and symmetric composition methods based on the ARKN integrators and ERKN integrators. We first consider the symplecticity conditions for the multi-frequency and multi-dimensional ARKN integrators. We then analyze the symplecticity of the adjoint integrators of the multi-frequency and multi-dimensional symplectic ARKN integrators and ERKN integrators, respectively. On the basis of the theoretical analysis and by using the idea of composition methods, we derive and propose four new high-order symplectic and symmetric methods for the multi-frequency oscillatory Hamiltonian systems. The numerical results accompanied in this paper quantitatively show the advantage and efficiency of the proposed high-order symplectic and symmetric methods.     

A long-term numerical energy-preserving analysis of symmetric and/or symplectic extended RKN integrators for efficiently solving highly oscillatory Hamiltonian systems

This paper presents a long-term analysis of one-stage extended Runge–Kutta–Nyström (ERKN) integrators for highly oscillatory Hamiltonian systems. We study the long-time numerical energy conservation not only for symmetric integrators but also for symplectic integrators. In the analysis, we neither assume symplecticity for symmetric methods, nor assume symmetry for symplectic methods. It turns out that these both types of integrators have a near conservation of the total and oscillatory energy over a long term. To prove the result for explicit integrators, a relationship between ERKN integrators and trigonometric integrators is established. For the long-term analysis of implicit integrators, the above approach does not work anymore and we use the technology of modulated Fourier expansion. By taking some adaptations of this technology for implicit methods, we derive the modulated Fourier expansion and show the near energy conservation.

     

Essentially Symplectic Boundary Value Methods for Linear Hamiltonian Systems

1.IlltroductiollInmanyareasofphysics,mechanics,etc.,HamiltoniansystemsofODEsplayaveryimportantrole.Suchsystemshavethefollowinggeneralform:where,bydenotingwithOfandimthenullmatrixandtheidentitymatrixofordermarespectively,SimplepropertiesofthematrixJZmarethefollowingones:Inequation(1)AH(~,t)isthegradientofascalarfunctionH(y,t),usuallycalledHamiltonian.InthecasewhereH(y,t)=H(y),thenthevalueofthisfunctionremainsconstantalongt.hesollltion7/(t),t,hatis'*ReceivedFebruaryI3,1995.l)Worksupporte…     

A CLASS OF EXPLICIT RATIONAL SYMPLECTIC INTEGRATORS

In this paper, a class of rational explicit symplectic integrators for one-dimensional oscillatory Hamiltonian problems are presented. These methods are zero-dissipative, and of first algebraic order and high phase-lag order. By means of composition technique, we construct second and fourth order methods with high phase-lag order of this type. Based on our ideas, three applicable explicit symplectic schemes with algebraic order one, two and four are derived, respectively. We report some numerical results to illustrate the good performance of our methods.     

CONJUGATE-SYMPLECTICITY OF LINEAR MULTISTEP METHODS

For the numerical treatment of Hamiltonian differential equations, symplectic integrators are the most suitable choice, and methods that are conjugate to a symplectic integrator share the same good long-time behavior. This note characterizes linear multistep methods whose underlying one-step method is conjugate to a symplectic integrator. The bounded- hess of parasitic solution components is not addressed.     

线性Hamilton系统边值问题的保辛数值方法

以Hamilton系统的正则变换和生成函数为基础研究线性时变Hamilton系统边值问题的保辛数值求解算法.根据第二类生成函数系数矩阵与状态传递矩阵的关系,构造了生成函数系数矩阵的区段合并递推算法,并进一步将递推算法推广到线性非齐次边值问题中;然后利用生成函数的性质将边值问题转化为初值问题,最后采用初值问题的保辛算法求解以达到整个Hamilton系统保辛的目的.数值算例表明该方法能够有效地求解线性齐次与非齐次问题,并能很好地保持Hamilton系统的固有特性.     

Linearization-preserving self-adjoint and symplectic integrators

This article is concerned with geometric integrators which are linearization-preserving, i.e. numerical integrators which preserve the exact linearization at every fixed point of an arbitrary system of ODEs. For a canonical Hamiltonian system, we propose a new symplectic and self-adjoint B-series method which is also linearization-preserving. In a similar fashion, we show that it is possible to construct a self-adjoint and linearization-preserving B-series method for an arbitrary system of ODEs. Some numerical experiments on Hamiltonian ODEs are presented to test the behaviour of both proposed methods. This work was supported by the Australian Research Council and by the Marsden Fund of the Royal Society of New Zealand.     

Conformal structure-preserving schemes for damped-driven stochastic nonlinear Schrödinger equation with multiplicative noise

Since many physical phenomena are often influenced by dispersive medium, energy compensation and random perturbation, exploring the dynamic behaviors of the damped-driven stochastic system has becoming a hot topic in mathematical physics in recent years. In this paper, inspired by the stochastic conformal structure, we investigate the geometric numerical integrators for the damped-driven stochastic nonlinear Schrödinger equation with multiplicative noise. To preserve the conformal structures of the system, by using symplectic Euler method, implicit midpoint method and Fourier pseudospectral method, we propose three kinds of stochastic conformal schemes satisfying corresponding discrete stochastic multiconformal-symplectic conservation laws and discrete global/local charge conservation laws. Numerical experiments illustrate the structure-preserving properties of the proposed schemes, as well as favorable results over traditional nonconformal schemes, which are consistent with our theoretical analysis.     

基于辛格式的深度哈密尔顿神经网络

HNN是一类基于物理先验学习哈密尔顿系统的神经网络.本文通过误差分析解释使用不同积分器作为超参数对HNN的影响.如果我们把网络目标定义为在任意训练集上损失为零的映射,那么传统的积分器无法保证HNN存在网络目标.我们引进反修正方程,并严格证明基于辛格式的HNN具有网络目标,且它与原哈密尔顿量之差依赖于数值格式的精度.数值实验表明,由辛HNN得到的哈密尔顿系统的相流不能精确保持原哈密尔顿量,但保持网络目标;网络目标在训练集、测试集上的损失远小于原哈密尔顿量的损失;在预测问题上辛HNN较非辛HNN具备更强大的泛化能力和更高的精度.因此,辛格式对于HNN是至关重要的.     

Closed Newton–Cotes trigonometrically-fitted formulae of high order for long-time integration of orbital problems

The connection between closed Newton–Cotes, trigonometrically-fitted differential methods and symplectic integrators is studied in this paper. Several one-step symplectic integrators have been obtained based on symplectic geometry, as is shown in the literature. However, the study of multi-step symplectic integrators is very limited. The well-known open Newton–Cotes differential methods are presented as multilayer symplectic integrators by Zhu et al. [W. Zhu, X. Zhao, Y. Tang, Journal of Chem. Phys. 104 (1996), 2275]. The construction of multi-step symplectic integrators based on the open Newton–Cotes integration methods is investigated by Chiou and Wu [J.C. Chiou, S.D. Wu, Journal of Chemical Physics 107 (1997), 6894]. The closed Newton–Cotes formulae are studied in this paper and presented as symplectic multilayer structures. We also develop trigonometrically-fitted symplectic methods which are based on the closed Newton–Cotes formulae. We apply the symplectic schemes in order to solve Hamilton’s equations of motion which are linear in position and momentum. We observe that the Hamiltonian energy of the system remains almost constant as the integration proceeds. Finally we apply the new developed methods to an orbital problem in order to show the efficiency of this new methodology.     

Symplectic structure-preserving integrators for the two-dimensional Gross-Pitaevskii equation for BEC

Symplectic integrators have been developed for solving the two-dimensional Gross-Pitaevskii equation. The equation is transformed into a Hamiltonian form with symplectic structure. Then, symplectic integrators, including the midpoint rule, and a splitting symplectic scheme are developed for treating this equation. It is shown that the proposed codes fulfill the discrete charge conservation law. Furthermore, the global error of the numerical solution is theoretically estimated. The theoretical analysis is supported by some numerical simulations.     

Geometric integration of non-autonomous linear Hamiltonian problems

Symplectic integration of autonomous Hamiltonian systems is a well-known field of study in geometric numerical integration, but for non-autonomous systems the situation is less clear, since symplectic structure requires an even number of dimensions. We show that one possible extension of symplectic methods in the autonomous setting to the non-autonomous setting is obtained by using canonical transformations. Many existing methods fit into this framework. We also perform experiments which indicate that for exponential integrators, the canonical and symmetric properties are important for good long time behaviour. In particular, the theoretical and numerical results support the well documented fact from the literature that exponential integrators for non-autonomous linear problems have superior accuracy compared to general ODE schemes.     

Numerical integrators based on modified differential equations

Inspired by the theory of modified equations (backward error analysis), a new approach to high-order, structure-preserving numerical integrators for ordinary differential equations is developed. This approach is illustrated with the implicit midpoint rule applied to the full dynamics of the free rigid body. Special attention is paid to methods represented as B-series, for which explicit formulae for the modified differential equation are given. A new composition law on B-series, called substitution law, is presented.

     

Canonical B-series

Summary. B-series provide a powerful general tool to express numerical methods for differential equations. Many differential equations are of Hamiltonian form and there has been much recent interest in constructing so-called canonical or symplectic integrators for the Hamiltonian case. In this paper we provide a necessary and sufficient condition for a B-series to correspond to a canonical method. Received March 15, 1993     

Nonlinearization of the Lax pairs for discrete Ablowitz-Ladik hierarchy

The discrete Ablowitz-Ladik hierarchy with four potentials and the Hamiltonian structures are derived. Under a constraint between the potentials and eigenfunctions, the nonlinearization of the Lax pairs associated with the discrete Ablowitz-Ladik hierarchy leads to a new symplectic map and a class of finite-dimensional Hamiltonian systems. The generating function of the integrals of motion is presented, by which the symplectic map and these finite-dimensional Hamiltonian systems are further proved to be completely integrable in the Liouville sense. Each member in the discrete Ablowitz-Ladik hierarchy is decomposed into a Hamiltonian system of ordinary differential equations plus the discrete flow generated by the symplectic map.