On traceable iterated line graph and hamiltonian path index

Xiong and Liu[21]gave a characterization of the graphs G for which the n-iterated line graph L^(n)(G)is hamiltonian,for n≥2.In this paper,we study the existence of a hamiltonian path in L^(n)(G),and give a characterization of G for which L^(n)(G)has a hamiltonian path.As applications,we use this characterization to give several upper bounds on the hamiltonian path index of a graph.

Universal Machine Learning Kohn–Sham Hamiltonian for Materials

While density functional theory(DFT)serves as a prevalent computational approach in electronic structure calculations,its computational demands and scalability limitations persist.Recently,leveraging neural networks to parameterize the Kohn-Sham DFT Hamiltonian has emerged as a promising avenue for accelerating electronic structure computations.Despite advancements,challenges such as the necessity for computing extensive DFT training data to explore each new system and the complexity of establishing accurate machine learning models for multi-elemental materials still exist.Addressing these hurdles,this study introduces a universal electronic Hamiltonian model trained on Hamiltonian matrices obtained from first-principles DFT calculations of nearly all crystal structures on the Materials Project.We demonstrate its generality in predicting electronic structures across the whole periodic table,including complex multi-elemental systems,solid-state electrolytes,Moir´e twisted bilayer heterostructure,and metal-organic frameworks.Moreover,we utilize the universal model to conduct high-throughput calculations of electronic structures for crystals in GNoME datasets,identifying 3940 crystals with direct band gaps and 5109 crystals with flat bands.By offering a reliable efficient framework for computing electronic properties,this universal Hamiltonian model lays the groundwork for advancements in diverse fields,such as easily providing a huge data set of electronic structures and also making the materials design across the whole periodic table possible.

Hamiltonian system for the inhomogeneous plane elasticity of dodecagonal quasicrystal plates and its analytical solutions

A Hamiltonian system is derived for the plane elasticity problem of two-dimensional dodecagonal quasicrystals by introducing the simple state function. By using symplectic elasticity approach, the analytic solutions of the phonon and phason displacements are obtained further for the quasicrystal plates. In addition, the effectiveness of the approach is verified by comparison with the data of the finite integral transformation method.

Hamiltonian s-properties and(Laplacian)Spreads of k-connected Graphs

A graph G possesses Hamiltonian s-properties when G is Hamilton-connected if s=1,Hamiltonian if s=0,and traceable if s=-1.Let S_A(G)=λ_n(G)-λ_1(G)and S_L(G)=μ_n(G)-μ_2(G)be the spread and the Laplacian spread of G,respectively,whereλ_n(G)andλ_1(G)are the largest and smallest eigenvalues of G,andμ_n(G)andμ_2(G)are the largest and second smallest Laplacian eigenvalues of G,respectively.In this paper,we shall present two sufficient conditions involving S_A(G)and S_L(G)for a k-connected graph to possess Hamiltonian s-properties,respectively.We also derive a sufficient condition on the Laplacian eigenratio■for a k-connected graph to possess Hamiltonian s-properties.

An Eight Component Integrable Hamiltonian Hierarchy from a Reduced Seventh-Order Matrix Spectral Problem

We present an eight component integrable Hamiltonian hierarchy, based on a reduced seventh order matrix spectral problem, with the aim of aiding the study and classification of multicomponent integrable models and their underlying mathematical structures. The zero-curvature formulation is the tool to construct a recursion operator from the spatial matrix problem. The second and third set of integrable equations present integrable nonlinear Schrödinger and modified Korteweg-de Vries type equations, respectively. The trace identity is used to construct Hamiltonian structures, and the first three Hamiltonian functionals so generated are computed.

分数阶Hamiltonian系统的可解性

研究一类分数阶Hamiltonian系统解的存在性.考虑含有参数的势函数W(t,u)满足新的超线性和次线性组合条件W(t,u)=W_(1)(t,u)+μW_(2)(t,u),μ>0.当|u|→∞时,W_(1)(t,u)满足更一般的超线性增长条件,代替Ambrosetti-Rabinowitz条件;W_(2)(t,u)满足更一般的次线性增长条件.这部分需要建立新的紧嵌入定理,用于验证序列的紧性.利用临界点理论,得到上述系统2个解存在结果.

Variational Quantum Eigensolver with Mutual Variance-Hamiltonian Optimization

The zero-energy variance principle can be exploited in variational quantum eigensolvers for solving general eigenstates but its capacity for obtaining a specified eigenstate,such as ground state,is limited as all eigenstates are of zero energy variance.We propose a variance-based variational quantum eigensolver for solving the ground state by searching in an enlarged space of wavefunction and Hamiltonian.With a mutual variance-Hamiltonian optimization procedure,the Hamiltonian is iteratively updated to guild the state towards to the ground state of the target Hamiltonian by minimizing the energy variance in each iteration.We demonstrate the performance and properties of the algorithm with numeral simulations.Our work suggests an avenue for utilizing guided Hamiltonian in hybrid quantum-classical algorithms.

Effective Bi-Layer Model Hamiltonian and Density-Matrix Renormalization Group Study for the High-TcSuperconductivity in La_(3)Ni_(2)O_(7) under High Pressure

High-T_(c)superconductivity with possible T_(c)≈80 K has been reported in the single crystal of La_(3)Ni_(2)O_(7)under high pressure.Based on the electronic structure given by the density functional theory calculations,we propose an effective bi-layer model Hamiltonian including both 3d_(z)^(2)and 3d_((x)^(2)-(y)^(2))orbital electrons of the nickel cations.The main feature of the model is that the 3d_(z)^(2)electrons form inter-layerσ-bonding and anti-bonding bands via the apical oxygen anions between the two layers,while the 3d_((x)^(2)-(y)^(2))electrons hybridize with the 3d_(z)^(2)electrons within each NiO_(2)plane.The chemical potential difference of these two orbital electrons ensures that the 3d_(z)^(2)orbitals are close to half-filling and the 3d_((x)^(2)-(y)^(2))orbitals are near quarter-filling.The strong on-site Hubbard repulsion of the 3d_(z)^(2)orbital electrons gives rise to an effective inter-layer antiferromagnetic spin super-exchange J.Applying pressure can self dope holes on the 3d_(z)^(2)orbitals with the same amount of electrons doped on the 3d_((x)^(2)-(y)^(2))orbitals.By performing numerical density-matrix renormalization group calculations on a minimum setup and focusing on the limit of large J and small doping of 3d_(z)^(2)orbitals,we find the superconducting instability on both the 3d_(z)^(2)and3d_((x)^(2)-(y)^(2))orbitals by calculating the equal-time spin singlet pair–pair correlation function.Our numerical results may provide useful insights in the high-T_(c)superconductivity in single crystal La_(3)Ni_(2)O_(7)under high pressure.

HAMILTON-JACOBI EQUATIONS FOR A REGULAR CONTROLLED HAMILTONIAN SYSTEM AND ITS REDUCED SYSTEMS

In this paper,we give the geometric constraint conditions of a canonical symplectic form and regular reduced symplectic forms for the dynamical vector fields of a regular controlled Hamiltonian(RCH)system and its regular reduced systems,which are called the Type I and Type II Hamilton-Jacobi equations.First,we prove two types of Hamilton-Jacobi theorems for an RCH system on the cotangent bundle of a configuration manifold by using the canonical symplectic form and its dynamical vector field.Second,we generalize the above results for a regular reducible RCH system with symmetry and a momentum map,and derive precisely two types of Hamilton-Jacobi equations for the regular point reduced RCH system and the regular orbit reduced RCH system.Third,we prove that the RCH-equivalence for the RCH system,and the RpCH-equivalence and RoCH-equivalence for the regular reducible RCH systems with symmetries,leave the solutions of corresponding Hamilton-Jacobi equations invariant.Finally,as an application of the theoretical results,we show the Type I and Type II Hamilton-Jacobi equations for the Rp-reduced controlled rigid body-rotor system and the Rp-reduced controlled heavy top-rotor system on the generalizations of the rotation group SO(3)and the Euclidean group SE(3),respectively.This work reveals the deeply internal relationships of the geometrical structures of phase spaces,the dynamical vector fields and the controls of the RCH system.

HOMOCLINIC SOLUTIONS NEAR THE ORIGIN FOR A CLASS OF FIRST ORDER HAMILTONIAN SYSTEMS

In this paper,we study the existence of infinitely many homoclinic solutions for a class of first order Hamiltonian systems ż=J H_(z)(t,z),where the Hamiltonian function H possesses the form H(t,z)=1/2L(t)z⋅z+G(t,z),and G(t,z)is only locally defined near the origin with respect to z.Under some mild conditions on L and G,we show that the existence of a sequence of homoclinic solutions is actually a local phenomenon in some sense,which is essentially forced by the subquadraticity of G near the origin with respect to z.

A Nonexistence Result for Choquard-Type Hamiltonian System

In this article, we establish a nonexistence result of nontrivial non-negative solutions for the following Choquard-type Hamiltonian system by the Pohožaev identity , when , , , , , and , where and denotes the convolution in .

Explicit K-symplectic methods for nonseparable non-canonical Hamiltonian systems

We propose efficient numerical methods for nonseparable non-canonical Hamiltonian systems which are explicit,K-symplectic in the extended phase space with long time energy conservation properties. They are based on extending the original phase space to several copies of the phase space and imposing a mechanical restraint on the copies of the phase space. Explicit K-symplectic methods are constructed for two non-canonical Hamiltonian systems. Numerical tests show that the proposed methods exhibit good numerical performance in preserving the phase orbit and the energy of the system over long time, whereas higher order Runge–Kutta methods do not preserve these properties. Numerical tests also show that the K-symplectic methods exhibit better efficiency than that of the same order implicit symplectic, explicit and implicit symplectic methods for the original nonseparable non-canonical systems. On the other hand, the fourth order K-symplectic method is more efficient than the fourth order Yoshida’s method, the optimized partitioned Runge–Kutta and Runge–Kutta–Nystr ¨om explicit K-symplectic methods for the extended phase space Hamiltonians, but less efficient than the the optimized partitioned Runge–Kutta and Runge–Kutta–Nystr ¨om extended phase space symplectic-like methods with the midpoint permutation.

Crossing Limit Cycles of Planar Piecewise Hamiltonian Systems with Linear Centers Separated by Two Parallel Straight Lines

In this paper, we have studied several classes of planar piecewise Hamiltonian systems with three zones separated by two parallel straight lines. Firstly, we give the maximal number of limit cycles in these classes of systems with a center in two zones and without equilibrium points in the other zone (or with a center in one zone and without equilibrium points in the other zones). In addition, we also give examples to illustrate that it can reach the maximal number.

High-order Hamiltonian obtained by Foldy-Wouthuysen transformation up to the order of mα^(8)

Complete relativistic corrections of an effective Hamiltonian for a single-particle system in an external electromagnetic field and their unitary equivalent form up to the order of mα^(8) are obtained.The derivation is based on two approaches applying Foldy-Wouthuysen(FW)transformation to the Dirac Hamiltonian for a particle in an external electromagnetic field.The results are consistent with the previous work at the mα^(6) and mα^(8) order correction[Phys.Rev.A 71012503(2005);Phys.Rev.A 100012513(2019)].We also further consider the effect of anomalous magnetic moments,namely,the Dirac-Pauli equation,and obtain FW-Hamiltonians at the same order.The results obtained can be used for the subsequent calculation of relativistic and radiation effects in simple atomic and molecular systems.

Comparison among Classical,Probabilistic and Quantum Algorithms for Hamiltonian Cycle Problem

The Hamiltonian cycle problem(HCP),which is an NP-complete problem,consists of having a graph G with n nodes and m edges and finding the path that connects each node exactly once.In this paper we compare some algorithms to solve a Hamiltonian cycle problem,using different models of computations and especially the probabilistic and quantum ones.Starting from the classical probabilistic approach of random walks,we take a step to the quantum direction by involving an ad hoc designed Quantum Turing Machine(QTM),which can be a useful conceptual project tool for quantum algorithms.Introducing several constraints to the graphs,our analysis leads to not-exponential speedup improvements to the best-known algorithms.In particular,the results are based on bounded degree graphs(graphs with nodes having a maximum number of edges)and graphs with the right limited number of nodes and edges to allow them to outperform the other algorithms.

计算最优控制辛数值方法

针对最优控制问题(OCP)的辛数值方法研究及应用进行综述。主要涉及内容包括,动力学系统为常微分方程描述的一般无约束、含不等式约束和状态时滞的最优控制问题,微分代数方程描述的一般无约束、含不等式约束和含切换系统的最优控制问题,以及闭环最优控制问题。从间接法和直接法两个求解框架出发,重点介绍本课题组在保辛算法方面的研究工作。在间接法框架下,首先基于生成函数和变分原理,将OCP保辛离散为非线性方程组,再数值求解方程组。在直接法框架下,将OCP保辛离散为有限维的非线性规划问题(NLP),再数值求解。针对闭环最优控制问题,提出了保辛模型预测控制、滚动时域估计和瞬时最优控制算法。研究表明,保辛算法具有高精度和高效率的特点,在航空航天和机器人等领域有着广泛应用前景和价值。

基于Hamiltonian马氏链蒙特卡罗方法的突变运动跟踪

在计算机视觉领域,由镜头切换、目标动力学突变、低帧率视频等引起的突变运动存在极大的不确定性,使得突变运动跟踪成为该领域的挑战性课题.以贝叶斯滤波框架为基础,提出一种基于有序超松弛Hamiltonian马氏链蒙特卡罗方法的突变运动跟踪算法.该算法将Hamiltonian动力学融入MCMC(Markov chain Monte Carlo)算法,目标状态被扩张为原始目标状态变量与一个动量项的组合.在提议阶段,为抑制由Gibbs采样带来的随机游动行为,提出采用有序超松弛迭代方法来抽取目标动量项.同时,提出自适应步长的Hamiltonian动力学实现方法,在跟踪过程中自适应地调整步长,以减少模拟误差.提出的跟踪算法可以避免传统的基于随机游动的MCMC跟踪算法所存在的局部最优问题,提高了跟踪的准确性而不需要额外的计算时间.实验结果表明,该算法在处理多种类型的突变运动时表现出出色的处理能力.

Hamiltonian[k,k+1]-因子(英文)

本文考虑n/2-临界图中Hamiltonian[k,k+1]-因子的存在性。Hamiltonian[k,k+1]-因子是指包含Hamiltonian圈的[k,k+1]-因子;给定阶数为n的简单图G,若δ(G)≥n/2而δ(G\e)<n/2(对任意的e∈E(G)),则称G为n/2-临界图。设k为大于等于2的整数,G为n/2-临界图(其中n≥4k-6且n≥7),我们证明了对于G的任何Hamiltonian圈C,G中必存在包含C的[k,k+1]-因子。该结果改进了现有的一些有关Hamiltonian[k,k+1]-因子存在性的结果。

基于I&I与Hamiltonian理论的机器人速度观测器设计

近期,Astolfi和Stamnes等对一类机械系统设计了速度观测器.采用了分步设计Lyapunov函数的方法,这导致观测误差系统结构复杂、证明繁琐.而且设计的偏微分方程(Partial differential equation,PDE)不合理,导致计算量大、不易求解.本文在Astolfi和Stamnes等的基础上,对一类机械(机器人)系统设计了速度观测器.通过对观测误差系统的Hamiltonian实现,克服了Astolfi和Stamnes等方法中的上述缺点.并设计了一类偏微分方程,避免了繁琐计算.最后,将所设计的速度观测器应用到一类关节机器人中,仿真结果验证了设计方法的有效性.

过载和攻击时间约束下的非线性最优制导方法

考虑导弹过载受限条件下,对以期望时间为攻击目标的非线性最优制导问题进行了研究。首先,建立了非线性最优制导问题的理论模型,基于庞特里亚金极大值原理和饱和函数方法建立了最优轨迹的最优性条件。其次,根据最优性条件和哈密尔顿轨迹参数化方法,建立了最优轨迹的参数化微分方程组,使得通过数值积分即可生成从飞行状态到最优制导指令映射关系的数据集。然后,通过前馈神经网络对上述映射关系进行近似,实现了非线性最优制导指令的毫秒量级实时生成。最后,通过数值仿真验证了所提非线性最优制导指令生成方法的有效性。