相关论文: Speeding up HMC with better integrators

By combining a standard symmetric, symplectic integrator with a new step size controller, we provide an integration scheme that is symmetric, reversible and conserves the values of the constants of motion. This new scheme is appropriate for…

We describe a method to compute thermodynamic quantities in the harmonic approximation for identical bosons and fermions in an external confining field. We use the canonical partition function where only energies and their degeneracies…

Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although…

Simulation of quantum chemistry is expected to be a principal application of quantum computing. In quantum simulation, a complicated Hamiltonian describing the dynamics of a quantum system is decomposed into its constituent terms, where the…

In this work, we present a symplectic integration scheme to numerically compute space debris motion. Such an integrator is particularly suitable to obtain reliable trajectories of objects lying on high orbits, especially geostationary ones.…

We introduce two numerical conjugacy invariants for dynamical systems -- the complexity and weak complexity indices -- which are well-suited for the study of "completely integrable" Hamiltonian systems. These invariants can be seen as "slow…

This work contains a brief and elementary exposition of the foundations of Poisson and symplectic geometries, with an emphasis on applications for Hamiltonian systems with second-class constraints. In particular, we clarify the geometric…

We present and compare different numerical schemes for the integration of the variational equations of autonomous Hamiltonian systems whose kinetic energy is quadratic in the generalized momenta and whose potential is a function of the…

We show that some modern geometric methods of Hamiltonian dynamics can be directly applied to the nonholonomic Heisenberg type systems. As an example we present characteristic Killing tensors, compatible Poisson brackets, Lax matrices and…

We investigate the performance of various methods of symplectic integration, which are based on two part splitting of the integration operator, for the numerical integration of multidimensional Hamiltonian systems. We implement these…

We present novel geometric numerical integrators for Hunter--Saxton-like equations by means of new multi-symplectic formulations and known Hamiltonian structures of the problems. We consider the Hunter--Saxton equation, the modified…

We revise the technique of semiclassical effective dynamics, in particular reexamining the evaluation of Poisson structure of the so-called central moments capturing quantum corrections, providing a systematic, pedagogical, and efficient…

In this paper, we introduces a Pseudo-Symplectic Neural Network (PSNN) for learning general Hamiltonian systems (both separable and non-separable) from data. To address the limitations of existing structure-preserving methods (e.g.,…

In this paper we extend the standard differential geometric theory of Hamiltonian dynamics to noncommutative spaces, beginning with symplectic forms. Derivations on the algebra are used instead of vector fields, and interior products and…

In this paper, we present neural networks learning mechanical systems that are both symplectic (for instance particle mechanics) and non-symplectic (for instance rotating rigid body). Mechanical systems have Hamiltonian evolution, which…

Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term…

A class of trigonometric integrator is proposed for the constrained ring polymer Hamiltonian dynamics, arising from the path integral molecular dynamics. The integrator is formulated by the composition of flows, thereby integrating the…

A class of Hamiltonian stochastic differential equations with multiplicative L\'{e}vy noise in the sense of Marcus, and the construction and numerical implementation methods of symplectic Euler scheme, are considered. A general symplectic…

Hamiltonian Monte Carlo (HMC) is a powerful tool for Bayesian statistical inference due to its potential to rapidly explore high dimensional state space, avoiding the random walk behavior typical of many Markov Chain Monte Carlo samplers.…

We present a novel hierarchical formulation of the fourth-order forward symplectic integrator and its numerical implementation in the GPU-accelerated direct-summation N-body code FROST. The new integrator is especially suitable for…