Related papers: On converting any one-step method to a variational…
We propose a novel method to compute multi-loop master integrals by constructing and numerically solving a system of ordinary differential equations, with almost trivial boundary conditions. Thus it can be systematically applied to problems…
We are able to derive the equations of motion for forced mechanical systems in a purely variational setting, both in the context of Lagrangian or Hamiltonian mechanics, by duplicating the variables of the system as introduced by Galley…
The class of linear pentapods with a simple singularity variety is obtained by imposing architectural restrictions on the design in such a way that the manipulators singularity variety is linear in orientation position variables. It turns…
We introduce a family of implicit probabilistic integrators for initial value problems (IVPs), taking as a starting point the multistep Adams-Moulton method. The implicit construction allows for dynamic feedback from the forthcoming…
In condensed matter physics, particularly in perovskite materials, the rotational motion of molecules and ions is associated with important issues such as ion conduction mechanism. Constrained Molecular Dynamics (MD) simulations offer a…
Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious…
Variational integrators for Lagrangian dynamical systems provide a systematic way to derive geometric numerical methods. These methods preserve a discrete multisymplectic form as well as momenta associated to symmetries of the Lagrangian…
In this work we present a novel strategy to evaluate multi-variable integrals with quantum circuits. The procedure first encodes the integration variables into a parametric circuit. The obtained circuit is then derived with respect to the…
Molecular dynamics is one of the most commonly used approaches for studying the dynamics and statistical distributions of many physical, chemical, and biological systems using atomistic or coarse-grained models. It is often the case,…
An algorithm is described for the construction of actions for scalar, spinor, and vector gauge fields that remains well-defined when the metric is degenerate and that involve no contravariant tensor fields. These actions produce the…
In this paper, we consider a broad class of nonconvex and nonsmooth optimization problems, where one objective component is a nonsmooth weakly convex function composed with a linear operator. By integrating variable smoothing techniques…
We introduce a new strategy for coupling the parallel in time (parareal) iterative methodology with multiscale integrators. Following the parareal framework, the algorithm computes a low-cost approximation of all slow variables in the…
Stochastic variance reduced optimization methods are known to be globally convergent while they suffer from slow local convergence, especially when moderate or high accuracy is needed. To alleviate this problem, we propose an optimization…
In this paper, we introduce a novel family of iterative algorithms which carry out $\alpha$-divergence minimisation in a Variational Inference context. They do so by ensuring a systematic decrease at each step in the $\alpha$-divergence…
We construct numerical integrators for Hamiltonian problems that may advantageously replace the standard Verlet time-stepper within Hybrid Monte Carlo and related simulations. Past attempts have often aimed at boosting the order of accuracy…
We present a simple algorithm to switch between $N$-body time integrators in a reversible way. We apply it to planetary systems undergoing arbitrarily close encounters and highly eccentric orbits, but the potential applications are broader.…
In this paper, we present a variational integrator that is based on an approximation of the Euler--Lagrange boundary-value problem via Taylor's method. This can viewed as a special case of the shooting-based variational integrator. The…
Modular robots have the potential to revolutionize automation, as one can optimize their composition for any given task. However, finding optimal compositions is non-trivial. In addition, different compositions require different base…
Variational integrators applied to degenerate Lagrangians that are linear in the velocities are two-step methods. The system of modified equations for a two-step method consists of the principal modified equation and one additional equation…
This paper investigates a time-stepping procedure of the Newmark type for dynamic analyses of viscoelastic structures characterized by a generalized Maxwell model. We depart from a scheme developed for a three-parameter model by Hatada et…