Related papers: Parallel Tempered Metadynamics
We discuss methods that allow to increase the step-size in a parallel tempering simulation of statistical models and test them at the example of the three-dimensional Heisenberg spin glass. We find an overall speed-up of about two for…
Efficient and faithful parallel simulation of large asynchronous systems is a challenging computational problem. It requires using the concept of local simulated times and a synchronization scheme. We study the scalability of massively…
Parameterized artificial neural networks (ANNs) can be very expressive ansatzes for variational algorithms, reaching state-of-the-art energies on many quantum many-body Hamiltonians. Nevertheless, the training of the ANN can be slow and…
A common problem in lattice QCD simulations on the torus is the extremely long autocorrelation time of the topological charge, when one approaches the continuum limit. The reason is the suppressed tunneling between topological sectors. The…
This paper initiates the studies of parallel algorithms for core maintenance in dynamic graphs. The core number is a fundamental index reflecting the cohesiveness of a graph, which are widely used in large-scale graph analytics. The core…
We investigate the critical slowing down of the topological modes using local updating algorithms in lattice 2-d CP^(N-1) models. We show that the topological modes experience a critical slowing down that is much more severe than the one of…
We present results from our study of the Parallel Tempering algorithm. We examine the swapping acceptance rate of a twin subensemble PT system. We use action matching technology in an attempt to maximise the swap acceptance rate. We model…
In a state-update protocol for a system of $L$ asynchronous parallel processes that communicate only with nearest neighbors, global desynchronization in operation times can be deduced from kinetic roughening of the corresponding…
In this paper we analyze, evaluate, and improve the performance of training generalized linear models on modern CPUs. We start with a state-of-the-art asynchronous parallel training algorithm, identify system-level performance bottlenecks,…
We propose a new method for simulating lattice gauge theories in the presence of fermions. The method combines flow-based generative models for local gauge field updates and hierarchical updates of the factorized fermion determinant. The…
We propose various improvements of finite step-size updating for full QCD on the lattice that might turn finite step-size updating into a viable alternative to the hybrid Monte Carlo algorithm. These improvements are noise reduction of the…
We have developed a technique to accelerate the acquisition of effectively uncorrelated configurations for off-lattice models of dense polymer melts which makes use of both parallel tempering and large scale Monte Carlo moves. The method is…
The simulation of rare events is one of the key problems in atomistic simulations. Towards its solution a plethora of methods have been proposed. Here we combine two such methods metadynamics and inte-grated tempering sampling. In…
We discuss the efficiency of the so-called parallel tempering method to equilibrate glassy systems also at low temperatures. The main focus is on two structural glass models, SiO_2 and a Lennard-Jones system, but we also investigate a fully…
The computational study of conformational transitions in RNA and proteins with atomistic molecular dynamics often requires suitable enhanced sampling techniques. We here introduce a novel method where concurrent metadynamics are integrated…
We present a sub-matrix update algorithm for the continuous-time auxiliary field method that allows the simulation of large lattice and impurity problems. The algorithm takes optimal advantage of modern CPU architectures by consistently…
We present a novel approach to long-range correlations beyond dynamical mean-field theory through a ladder approximation to dual fermions. The new technique is applied to the two-dimensional Hubbard model. We demonstrate that the…
Simulated tempering is popular method of allowing MCMC algorithms to move between modes of a multimodal target density {\pi}. One problem with simulated tempering for multimodal targets is that the weights of the various modes change for…
We investigate the performance of the hybrid Monte Carlo algorithm in updating non-trivial global topological structures. We find that the hybrid Monte Carlo algorithm has serious problems decorrelating the global topological charge. This…
We demonstrate the applicability of a recently proposed multiscale thermalization algorithm to two-color quantum chromodynamics (QCD) with two mass-degenerate fermion flavors. The algorithm involves refining an ensemble of gauge…