Related papers: Accurate sampling using Langevin dynamics
A common problem that affects simulations of complex systems within the computational physics and chemistry communities is the so-called sampling problem or rare event problem where proper sampling of energy landscapes is impeded by the…
We derive and analyze numerical methods for underdamped (kinetic) Langevin dynamics in a domain with elastic reflection at the boundary. First-order approximations are based on an Euler-type scheme incorporating collision-handling at the…
In mathematics or theoretical physics one is often interested in obtaining an exact analytic description of some data which can be produced, in principle, to arbitrary accuracy. For example, one might like to know the exact analytical form…
We address the problem of constructing accurate mathematical models of the dynamics of molecular systems projected on a collective variable. To this aim we introduce an algorithm optimizing the parameters of a standard or generalized…
We study the temperature control problem for Langevin diffusions in the context of non-convex optimization. The classical optimal control of such a problem is of the bang-bang type, which is overly sensitive to errors. A remedy is to allow…
Approximate analytical solutions of the modified Langevin equation are obtained. These solutions are relatively simple and enough accurate. They are illustrated by considering a mean-field model of a system with interacting…
A model recently proposed for the calculation of air-fluorescence yield excited by electrons is revisited. Improved energy distributions of secondary electrons and a more realistic Monte Carlo simulation including some additional processes…
In this review we present the current state-of-the-art on complex Langevin simulations and their implications for the QCD phase diagram. After a short summary of the complex Langevin method, we present and discuss recent developments. Here…
Most implementations of sampling algorithms for continuous distributions use floating-point numbers, which introduce round-off errors and approximations. These errors can be difficult to analyze, and can cause security issues when used in…
This work is dedicated to a novel sampling method for accurately reconstructing elastic and electromagnetic sources from the far field patterns. We show that the proposed indicators in the form of integrals with full far field patterns are…
In this article we propose a novel method for sampling from Gibbs distributions of the form $\pi(x)\propto\exp(-U(x))$ with a potential $U(x)$. In particular, inspired by diffusion models we propose to consider a sequence $(\pi^{t_k})_k$ of…
Adaptive Langevin dynamics is a method for sampling the Boltzmann-Gibbs distribution at prescribed temperature in cases where the potential gradient is subject to stochastic perturbation of unknown magnitude. The method replaces the…
Sampling from discrete distributions is a ubiquitous task in machine learning, recently revisited by the emergence of discrete diffusion models. While Langevin algorithms constitute the state of the art for continuous spaces, discrete…
An improved method for driving a system into a desired distribution, for example, the Gibbs-Boltzmann distribution, is proposed, which makes use of an artificial relaxation process. The standard techniques for achieving the Gibbs-Boltzmann…
This paper is the second in a series devoted to the study of Langevin systems subjected to a continuous time-delayed feedback control. The goal of our previous paper [Phys. Rev. E 91, 042114 (2015)] was to derive second-law-like…
Explicit, momentum-based dynamics for optimizing functions defined on Lie groups was recently constructed, based on techniques such as variational optimization and left trivialization. We appropriately add tractable noise to the…
Starting from Feynman's Lagrangian description of quantum mechanics, we propose a method to construct explicitly the propagator for the Wigner distribution function of a single system. For general quadratic Lagrangians, only the classical…
Fourier acceleration has been successfully applied to the simulation of lattice field theories for more than a decade. In this paper, we extend the method to the dynamics of discrete particles moving in continuum. Although our method is…
In recent papers it has been demonstrated that sampling a Gibbs distribution from an appropriate time-irreversible Langevin process is, from several points of view, advantageous when compared to sampling from a time-reversible one. Adding…
Effective Lagrangians are a useful tool for a data-driven approach to physics beyond the Standard Model at the LHC. However, for the new physics scales accessible at the LHC, the effective operator expansion is only relatively slowly…