相关论文: Generalized Ensemble Simulations for Complex Syste…

The grand canonical ensemble has been used to make predictions for composite yields using simple models for nuclear fragmentation. While this gives correct model prediction for high energy collisions, it can give very inaccurate results at…

Grand canonical and canonical ensembles become equivalent in the thermodynamic limit, but when the system size is finite the results obtained in the two ensembles deviate from each other. In many important cases, the canonical ensemble…

The rigorous approach aimed at providing exact analytical results for hybrid classical-quantum models is elaborated on the grounds of generalized algebraic mapping transformations. This conceptually simple method allows one to obtain novel…

Machine Reading Comprehension (MRC) is an active field in natural language processing with many successful developed models in recent years. Despite their high in-distribution accuracy, these models suffer from two issues: high training…

The widespread popularity of replica exchange and expanded ensemble algorithms for simulating complex molecular systems in chemistry and biophysics has generated much interest in enhancing phase space mixing of these protocols, thus…

Ensembles improve prediction performance and allow uncertainty quantification by aggregating predictions from multiple models. In deep ensembling, the individual models are usually black box neural networks, or recently, partially…

It is common practice to combine deep neural networks into ensembles. These deep ensembles can benefit from the cancellation of errors effect: Errors by ensemble members may average out, leading to better generalization performance than…

In the absence of impurities and boundary effects, first order phase transitions are initiated by the nucleation of critical bubbles. In thermally driven transitions many systems can remain metastable for an extended time, possibly tens of…

For a macroscopic, isolated quantum system in an unknown pure state, the expectation value of any given observable is shown to hardly deviate from the ensemble average with extremely high probability under generic equilibrium and…

Numerical simulations of models and theories that describe complex systems such as spin glasses are becoming increasingly important. Beyond fundamental research, these computational methods also find practical applications in fields like…

This paper is devoted to provide a theoretical underpinning for ensemble forecasting with rapid fluctuations in body forcing and in boundary conditions. Ensemble averaging principles are proved under suitable `mixing' conditions on random…

We apply a probabilistic approach to study the computational complexity of analog computers which solve linear programming problems. We analyze numerically various ensembles of linear programming problems and obtain, for each of these…

We demonstrate that the multicanonical approach is not restricted to Monte Carlo simulations, but can also be applied to simulation techniques such as molecular dynamics, Langevin, and hybrid Monte Carlo algorithms. The effectiveness of the…

We show how canonical ensemble expectation values can be extracted from quantum Monte Carlo simulations in the grand canonical ensemble. In order to obtain results for all particle sectors, a modest number of grand canonical simulations…

We discuss a property of our recently introduced generalized canonical ensemble (J. Stat. Phys. 119 (2005) 1283). We show that this ensemble can be used to transform metastable or unstable (nonequilibrium) states of the standard canonical…

The extended Gaussian ensemble introduced recently as a generalization of the canonical ensemble, which allows to treat energy fluctuations present in the system, is used to analyze the inelasticity distributions in high energy…

Matrix product purifications (MPPs) are a very efficient tool for the simulation of strongly correlated quantum many-body systems at finite temperatures. When a system features symmetries, these can be used to reduce computation costs…

We present a detailed description of the generalized geometric cluster algorithm for the efficient simulation of continuum fluids. The connection with well-known cluster algorithms for lattice spin models is discussed, and an explicit full…

Although by now the ensemble-based probabilistic forecasting is the most advanced approach to weather prediction, ensemble forecasts still might suffer from lack of calibration and/or display systematic bias, thus require some…

Clustering ensemble, or consensus clustering, has emerged as a powerful tool for improving both the robustness and the stability of results from individual clustering methods. Weighted clustering ensemble arises naturally from clustering…