相关论文: Speeding up HMC with better integrators

We investigate the computational performance of various numerical methods for the integration of the equations of motion and the variational equations for some typical classical many-body models of condensed matter physics: the…

We have implemented a variant of the force gradient integrator proposed by Kennedy et.al. and are using it in our production 2+1 flavor DWF simulations with pion masses of 180 MeV in (4.5fm)3 volumes. We find modest speed-ups (\sim 20%)…

This paper proposes several explicit and implicit multistep frequency response optimized integrators considering first or second order derivative. A prediction-based method aiming at accelerating a novel power system transient simulation…

Two specialized algorithms for the numerical integration of the equations of motion of a Brownian walker obeying detailed balance are introduced. The algorithms become symplectic in the appropriate limits, and reproduce the equilibrium…

In this paper, we are concerned with the construction and analysis of a new class of methods obtained as double jump compositions with complex coefficients and projection on the real axis. It is shown in particular that the new integrators…

We consider the numerical simulation of Hamiltonian systems of ordinary differential equations. Two features of Hamiltonian systems are that energy is conserved along trajectories and phase space volume is preserved by the flow. We want to…

This paper concerns a first-order algorithmic technique for a class of optimal control problems defined on switched-mode hybrid systems. The salient feature of the algorithm is that it avoids the computation of Fr\'echet or G\^ateaux…

Classical mechanical systems are modeled by a symplectic manifold $(M,\omega)$, and their symmetries, encoded in the action of a Lie group $G$ on $M$ by diffeomorphisms that preserves $\omega$. These actions, which are called "symplectic",…

Gaussian wavepacket dynamics has proven to be a useful semiclassical approximation for quantum simulations of high-dimensional systems with low anharmonicity. Compared to Heller's original local harmonic method, the variational Gaussian…

This work proposes a suite of numerical techniques to facilitate the design of structure-preserving integrators for nonlinear dynamics. The celebrated LaBudde-Greenspan integrator and various energy-momentum schemes adopt a difference…

Achieving an accurate description of fermionic systems typically requires considerably many more orbitals than fermions. Previous resource analyses of quantum chemistry simulation often failed to exploit this low fermionic number…

This is the write-up of three lectures on algorithms for dynamical fermions that were given at the ILFTN workshop 'Perspectives in Lattice QCD' in Nara during November 2005. The first lecture is on the fundamentals of Markov Chain Monte…

This paper presents a general method to construct Poisson integrators, i.e., integrators that preserve the underlying Poisson geometry. We assume the Poisson manifold is integrable, meaning there is a known local symplectic groupoid for…

The paper deals with numerical discretizations of separable nonlinear Hamiltonian systems with additive noise. For such problems, the expected value of the total energy, along the exact solution, drifts linearly with time. We present and…

By use of the recently derived $universal$ discrete imaginary-time propagator of the harmonic oscillator, both thermodynamic and Hamiltonian energies can be given analytically, and evaluated numerically at each imaginary time step, for…

We present an approach to construct appropriate and efficient emulators for Hamiltonian flow maps. Intended future applications are long-term tracing of fast charged particles in accelerators and magnetic plasma confinement configurations.…

We propose a systematic framework for constructing geometric integrators for Hamiltonian systems on Jacobi manifolds. By combining Poissonization of Jacobi structures with homogeneous symplectic bi-realizations, Jacobi dynamics are lifted…

We present a new class of exponential integrators for ordinary differential equations. They are locally exact, i.e., they preserve the linearization of the original system at every point. Their construction consists in modifying existing…

Hybrid machine learning based on Hamiltonian formulations has recently been successfully demonstrated for simple mechanical systems, both energy conserving and not energy conserving. We introduce a pseudo-Hamiltonian formulation that is a…

A potential approach for demonstrating quantum advantage is using quantum computers to simulate fermionic systems. Quantum algorithms for fermionic system simulation usually involve the Hamiltonian evolution and measurements. However, in…