相关论文: Annealed importance sampling of dileucine peptide

Randomized protocols are procedures that incorporate probabilistic choices during their execution and they play a central role in quantum algorithms, spanning Hamiltonian simulation, noise mitigation, and measurement tasks. In practical…

A state feedback controller design is proposed to guarantee stability of a nonuniformly sampled system for arbitrary selections of sampling periods within an interval, assuming the controller can select the sampling period. It is also shown…

Importance sampling has become an important tool for the computation of tail-based risk measures. Since such quantities are often determined mainly by rare events standard Monte Carlo can be inefficient and importance sampling provides a…

In this article, we propose a novel method for sampling potential functions based on noisy observation data of a finite number of observables in quantum canonical ensembles, which leads to the accurate sampling of a wide class of test…

Umbrella sampling efficiently yields equilibrium averages that depend on exploring rare states of a model by biasing simulations to windows of coordinate values and then combining the resulting data with physical weighting. Here, we…

Inspired by simulated annealing algorithm, we propose a quantum cooling protocol which includes an annealing process. This protocol can be universally and efficiently applied to various quantum simulators, driving the system from an…

Most solved dynamic structural macrofinance models are non-linear and/or non-Gaussian state-space models with high-dimensional and complex structures. We propose an annealed controlled sequential Monte Carlo method that delivers numerically…

Implicit sampling is a weighted sampling method that is used in data assimilation, where one sequentially updates estimates of the state of a stochastic model based on a stream of noisy or incomplete data. Here we describe how to use…

Multiple importance sampling (MIS) methods use a set of proposal distributions from which samples are drawn. Each sample is then assigned an importance weight that can be obtained according to different strategies. This work is motivated by…

Simulating rare events, such as the transformation of a reactant into a product in a chemical reaction typically requires enhanced sampling techniques that rely on heuristically chosen collective variables (CVs). We propose using…

In this paper we develop the theory of discrete averaging designed to study discrete time dynamical systems defined by iterates of a map. The discrete averaging uses weighted averages over a segment of trajectory to find an autonomous…

Reliability-oriented sensitivity analysis aims at combining both reliability and sensitivity analyses by quantifying the influence of each input variable of a numerical model on a quantity of interest related to its failure. In particular,…

Finding and sampling multiple reaction channels for molecular transitions remains an important challenge in physical chemistry. Here we show that the weighted ensemble (WE) path sampling method can readily sample multiple channels. In a…

This paper proposes niching importance sampling, a framework that combines concepts from reliability analysis, e.g. Markov chains, importance sampling, and relative cross entropy minimisation, with niching techniques from evolutionary…

The inefficiency of using an unbiased estimator in a Monte Carlo procedure can be quantified using an inefficiency constant, equal to the product of the variance of the estimator and its mean computational cost. We develop methods for…

We introduce a novel approach to boost the efficiency of the importance nested sampling (INS) technique for Bayesian posterior and evidence estimation using deep learning. Unlike rejection-based sampling methods such as vanilla nested…

The paper introduces AND/OR importance sampling for probabilistic graphical models. In contrast to importance sampling, AND/OR importance sampling caches samples in the AND/OR space and then extracts a new sample mean from the stored…

We explain why quantum adiabatic evolution and simulated annealing perform similarly in certain examples of searching for the minimum of a cost function of n bits. In these examples each bit is treated symmetrically so the cost function…

Minimum connected dominating set problem is an NP-hard combinatorial optimization problem in graph theory. Finding connected dominating set is of high interest in various domains such as wireless sensor networks, optical networks, and…

When search methods are being designed it is very important to know which parameters have the greatest influence on the behaviour and performance of the algorithm. To this end, algorithm parameters are commonly calibrated by means of either…