Related papers: Results From The UKQCD Parallel Tempering Project
Continuous-time quantum Monte Carlo refers to a class of algorithms designed to sample the thermal distribution of a quantum Hamiltonian through exact expansions of the Boltzmann exponential in terms of stochastic trajectories which are…
Fast and accurate sampling method is in high demand, in order to bridge the large gaps between molecular dynamic simulations and experimental observations. Recently, integrated tempering enhanced sampling method (ITS) has been proposed and…
The number of parameters in large-scale language models based on transformers is gradually increasing, and the scale of computing clusters is also growing. The technology of quickly mobilizing large amounts of computing resources for…
Numerical studies are presented to assess error estimates for a separable (Hartree) approximation for dynamically evolving composite quantum systems which exhibit distinct scales defined by their mass and frequency ratios. The relevant…
We present a new training methodology for transformers using a multilevel, layer-parallel approach. Through a neural ODE formulation of transformers, our application of a multilevel parallel-in-time algorithm for the forward and…
In this paper we extend the concept of the traditional transactor, which focuses on correct content transfer, to a new timing-coherent transactor that also accurately aligns the timing of each transaction boundary so that designers can…
We develop a self-supervised ensemble learning (SSEL) method to accurately classify distinct types of phase transitions by analyzing the fluctuation properties of machine learning outputs. Employing the 2D Potts model and the 2D Clock model…
We describe a new parallel approach to the evaluation of phase space for Monte-Carlo event generation, implemented within the framework of the WHIZARD package. The program realizes a twofold self-adaptive multi-channel parameterization of…
We present a new, biased Monte Carlo scheme for simulating complex, cyclic peptides. Backbone atoms are equilibrated with a biased rebridging scheme, and side-chain atoms are equilibrated with a look-ahead configurational bias Monte Carlo.…
An improved real-time quantum Monte Carlo procedure is presented and applied to describe the electronic transfer dynamics along molecular chains. The model consists of discrete electronic sites coupled to a thermal environment which is…
The choice of transition kernel critically influences the performance of the Markov chain Monte Carlo method. Despite the importance of kernel choice, guiding principles for optimal kernels have not been established. Here, we propose a…
We describe a general radiative equilibrium and temperature correction procedure for use in Monte Carlo radiation transfer codes with sources of temperature-independent opacity, such as astrophysical dust. The technique utilizes the fact…
We propose an efficient Monte Carlo algorithm for simulating a ``hardly-relaxing" system, in which many replicas with different temperatures are simultaneously simulated and a virtual process exchanging configurations of these replica is…
This paper presents a novel method that allows a machine learning algorithm following the transformation-based learning paradigm \cite{brill95:tagging} to be applied to multiple classification tasks by training jointly and simultaneously on…
We study the efficiency of parallel tempering Monte Carlo technique for calculating true ground states of the Edwards-Anderson spin glass model. Bimodal and Gaussian bond distributions were considered in two and three-dimensional lattices.…
The research in parallel machine scheduling in combinatorial optimization suggests that the desirable parallel efficiency could be achieved when the jobs are sorted in the non-increasing order of processing times. In this paper, we find…
We introduce a numerical algorithm to stochastically sample the dual fermion perturbation series around the dynamical mean field theory, generating all topologies of two-particle interaction vertices. We show results in the weak and strong…
First results on the autocorrelation behaviour of a recently proposed fermion algorithm by M. L\"uscher are presented and discussed. The occurence of unexpected large autocorrelation times is explained. Possible improvements are discussed.
This work builds on the previous introduction [1] of a coupled experimental-computational system devised to fully characterize the thermal behavior of complex 3D submicron electronic devices. The new system replaces the laser-based surface…
The answers to data assimilation questions can be expressed as path integrals over all possible state and parameter histories. We show how these path integrals can be evaluated numerically using a Markov Chain Monte Carlo method designed to…