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An optimization algorithm is presented which consists of cyclically heating and quenching by Metropolis and local search procedures, respectively. It works particularly well when it is applied to an archive of samples instead of to a single…
The study of spin-glass dynamics, long considered the paradigmatic complex system, has reached important milestones. The availability of single crystals has allowed the experimental measurement of spin-glass coherence lengths of almost…
In this short note, we show how the parallel adaptive Wang-Landau (PAWL) algorithm of Bornn et al. (2013) can be used to automate and improve simulated tempering algorithms. While Wang-Landau and other stochastic approximation methods have…
The study of the low temperature phase of spin glass models by means of Monte Carlo simulations is a challenging task, because of the very slow dynamics and the severe finite size effects they show. By exploiting at the best the…
We use real replicas to investigate stability of thermodynamic homogeneity of the free energy of the Sherrington-Kirkpatrick (SK) model of spin glasses. Within the replica trick with the replica symmetric ansatz we show that the averaged…
We study the performance of QCD simulations with dynamical Wilson fermions by combining the Hybrid Monte Carlo algorithm with parallel tempering on $10^4$ and $12^4$ lattices. In order to compare tempered with standard simulations,…
We introduce a new parameter to investigate replica symmetry breaking transitions using finite-size scaling methods. Based on exact equalities initially derived by F. Guerra this parameter is a direct check of the self-averaging character…
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…
Spin systems with frustration and disorder are notoriously difficult to study both analytically and numerically. While the simulation of ferromagnetic statistical mechanical models benefits greatly from cluster algorithms, these accelerated…
We extend replica exchange simulation in two ways, and apply our approaches to biomolecules. The first generalization permits exchange simulation between models of differing resolution -- i.e., between detailed and coarse-grained models.…
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…
The thermodynamics of the infinite-range Ising spin glass with p-spin interactions in the presence of an external magnetic field h is investigated analytically using the replica method. We give emphasis to the analysis of the transition…
New sampling algorithms based on simulating continuous-time stochastic processes called piece-wise deterministic Markov processes (PDMPs) have shown considerable promise. However, these methods can struggle to sample from multi-modal or…
We study the spin-glass transition in several Ising models of relevance for quantum annealers. We extract the spin-glass critical temperature by extrapolating the pseudo-critical properties obtained with Replica-Exchange Monte-Carlo for…
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…
As one of the most robust global optimization methods, simulated annealing has received considerable attention, with many variations that attempt to improve the cooling schedule. This paper introduces a variant of simulated annealing that…
The temperature ($T$)-shift protcol of aging in the 3 dimensional (3D) Edwards- Anderson (EA) spin-glass (SG) model is studied through the out-of-phase component of the ac susceptibility simulated by the Monte Carlo method. For processes…
The heat capacity and isomer distributions of the 38 atom Lennard-Jones cluster have been calculated in the canonical ensemble using parallel tempering Monte Carlo methods. A distinct region of temperature is identified that corresponds to…
We propose a method to extend the fast on-the-fly weight determination scheme for simulated tempering to two-dimensional space including not only temperature but also pressure. During the simulated tempering simulation, weight parameters…
Isothermal simulational data for the 3D Edwards-Anderson spin glass are collected at several temperatures below $T_{\rm c}$ and, in analogy with a recent model of dense colloidal suspensions,interpreted in terms of clusters of contiguous…