Do you want to publish a course? Click here

Efficient estimation of autocorrelation spectra

93   0   0.0 ( 0 )
 Added by Markus Wallerberger
 Publication date 2018
and research's language is English




Ask ChatGPT about the research

The performance of Markov chain Monte Carlo calculations is determined by both ensemble variance of the Monte Carlo estimator and autocorrelation of the Markov process. In order to study autocorrelation, binning analysis is commonly used, where the autocorrelation is estimated from results grouped into bins of logarithmically increasing sizes. In this paper, we show that binning analysis comes with a bias that can be eliminated by combining bin sizes. We then show binning analysis can be performed on-the-fly with linear overhead in time and logarithmic overhead in memory with respect to the sample size. We then show that binning analysis contains information not only about the integrated effect of autocorrelation, but can be used to estimate the spectrum of autocorrelation lengths, yielding the height of phase space barriers in the system. Finally, we revisit the Ising model and apply the proposed method to recover its autocorrelation spectra.

rate research

Read More

In this paper, we propose efficient probabilistic algorithms for several problems regarding the autocorrelation spectrum. First, we present a quantum algorithm that samples from the Walsh spectrum of any derivative of $f()$. Informally, the autocorrelation coefficient of a Boolean function $f()$ at some point $a$ measures the average correlation among the values $f(x)$ and $f(x oplus a)$. The derivative of a Boolean function is an extension of autocorrelation to correlation among multiple values of $f()$. The Walsh spectrum is well-studied primarily due to its connection to the quantum circuit for the Deutsch-Jozsa problem. We extend the idea to Higher-order Deutsch-Jozsa quantum algorithm to obtain points corresponding to large absolute values in the Walsh spectrum of a certain derivative of $f()$. Further, we design an algorithm to sample the input points according to squares of the autocorrelation coefficients. Finally we provide a different set of algorithms for estimating the square of a particular coefficient or cumulative sum of their squares.
121 - Kai Qi , Michael Bachmann 2014
By means of Metropolis Monte Carlo simulations of a coarse-grained model for flexible polymers, we investigate how the integrated autocorrelation times of different energetic and structural quantities depend on the temperature. We show that, due to critical slowing down, an extremal autocorrelation time can also be considered as an indicator for the collapse transition that helps to locate the transition point. This is particularly useful for finite systems, where response quantities such as the specific heat do not necessarily exhibit clear indications for pronounced thermal activity.
187 - Samuel I. Watson 2020
Clusters form the basis of a number of research study designs including survey and experimental studies. Cluster-based designs can be less costly but also less efficient than individual-based designs due to correlation between individuals within the same cluster. Their design typically relies on textit{ad hoc} choices of correlation parameters, and is insensitive to variations in cluster design. This article examines how to efficiently design clusters where they are geographically defined by demarcating areas incorporating individuals and households or other units. Using geostatistical models for spatial autocorrelation we generate approximations to within cluster average covariance in order to estimate the effective sample size given particular cluster design parameters. We show how the number of enumerated locations, cluster area, proportion sampled, and sampling method affect the efficiency of the design and consider the optimization problem of choosing the most efficient design subject to budgetary constraints. We also consider how the parameters from these approximations can be interpreted simply in terms of `real-world quantities and used in design analysis.
In this paper, we study the prediction of a circularly symmetric zero-mean stationary Gaussian process from a window of observations consisting of finitely many samples. This is a prevalent problem in a wide range of applications in communication theory and signal processing. Due to stationarity, when the autocorrelation function or equivalently the power spectral density (PSD) of the process is available, the Minimum Mean Squared Error (MMSE) predictor is readily obtained. In particular, it is given by a linear operator that depends on autocorrelation of the process as well as the noise power in the observed samples. The prediction becomes, however, quite challenging when the PSD of the process is unknown. In this paper, we propose a blind predictor that does not require the a priori knowledge of the PSD of the process and compare its performance with that of an MMSE predictor that has a full knowledge of the PSD. To design such a blind predictor, we use the random spectral representation of a stationary Gaussian process. We apply the well-known atomic-norm minimization technique to the observed samples to obtain a discrete quantization of the underlying random spectrum, which we use to predict the process. Our simulation results show that this estimator has a good performance comparable with that of the MMSE estimator.
The efficient calculation of rare-event kinetics in complex dynamical systems, such as the rate and pathways of ligand dissociation from a protein, is a generally unsolved problem. Markov state models can systematically integrate ensembles of short simulations and thus effectively parallelize the computational effort, but the rare events of interest still need to be spontaneously sampled in the data. Enhanced sampling approaches, such as parallel tempering or umbrella sampling, can accelerate the computation of equilibrium expectations massively - but sacrifice the ability to compute dynamical expectations. In this work we establish a principle to combine knowledge of the equilibrium distribution with kinetics from fast downhill relaxation trajectories using reversible Markov models. This approach is general as it does not invoke any specific dynamical model, and can provide accurate estimates of the rare event kinetics. Large gains in sampling efficiency can be achieved whenever one direction of the process occurs more rapid than its reverse, making the approach especially attractive for downhill processes such as folding and binding in biomolecules.
comments
Fetching comments Fetching comments
Sign in to be able to follow your search criteria
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا