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Discussion of ``EQUI-energy sampler'' by Kou, Zhou and Wong [math.ST/0507080]

Statistics Theory · Mathematics 2007-06-13 Ying Nian Wu , Song-Chun Zhu

Discussion of ``EQUI-energy sampler'' by Kou, Zhou and Wong [math.ST/0507080]

Statistics Theory · Mathematics 2007-06-13 Ming-Hui Chen , Sungduk Kim

In a recent paper `The equi-energy sampler with applications statistical inference and statistical mechanics' [Ann. Stat. 34 (2006) 1581--1619], Kou, Zhou & Wong have presented a new stochastic simulation method called the equi-energy (EE)…

Computation · Statistics 2007-11-02 Christophe Andrieu , Ajay Jasra , Arnaud Doucet , Pierre Del Moral

Rejoinder to ``Equi-energy sampler with applications in statistical inference and statistical mechanics'' by Kou, Zhou and Wong [math.ST/0507080]

Statistics Theory · Mathematics 2007-06-13 S. C. Kou , Qing Zhou , Wing H. Wong

Markov chain Monte Carlo (MCMC) methods allow to sample a distribution known up to a multiplicative constant. Classical MCMC samplers are known to have very poor mixing properties when sampling multimodal distributions. The Equi-Energy…

Statistics Theory · Mathematics 2013-02-05 Amandine Schreck , Gersende Fort , Eric Moulines

We introduce a new sampling algorithm, the equi-energy sampler, for efficient statistical sampling and estimation. Complementary to the widely used temperature-domain methods, the equi-energy sampler, utilizing the temperature--energy…

Statistics Theory · Mathematics 2011-02-11 S. C. Kou , Qing Zhou , Wing Hung Wong

Novel sampling algorithms can significantly impact open questions in computational biology, most notably the in silico protein folding problem. By using computational methods, protein folding aims to find the three-dimensional structure of…

Statistics Theory · Mathematics 2007-06-13 Peter Minary , Michael Levitt

In quantum Monte Carlo (QMC) methods, energy estimators are calculated as the statistical average of the Markov chain sampling of energy estimator along with an associated statistical error. This error estimation is not straightforward and…

Computational Physics · Physics 2022-04-26 Tom Ichibha , Kenta Hongo , Ryo Maezono , Alex J. W. Thom

Energy-Based Models (EBMs) allow for extremely flexible specifications of probability distributions. However, they do not provide a mechanism for obtaining exact samples from these distributions. Monte Carlo techniques can aid us in…

Machine Learning · Computer Science 2021-12-13 Bryan Eikema , Germán Kruszewski , Hady Elsahar , Marc Dymetman

We propose a new Monte Carlo algorithm for the free energy calculation based on configuration space sampling. We implement this algorithm for Ising model. Comparison with the exact free energy shows an excellent agreement. We analyse the…

Strongly Correlated Electrons · Physics 2015-08-05 Sheng Bi , Ning-Hua Tong

We introduce zeus, a well-tested Python implementation of the Ensemble Slice Sampling (ESS) method for Bayesian parameter inference. ESS is a novel Markov chain Monte Carlo (MCMC) algorithm specifically designed to tackle the computational…

Instrumentation and Methods for Astrophysics · Physics 2021-10-05 Minas Karamanis , Florian Beutler , John A. Peacock

Markov Chain Monte Carlo (MCMC) is a well-established family of algorithms primarily used in Bayesian statistics to sample from a target distribution when direct sampling is challenging. Existing work on Bayesian decision trees uses MCMC.…

Computation · Statistics 2023-01-24 Efthyvoulos Drousiotis , Paul G. Spirakis , Simon Maskell

The effective sample size (ESS) is widely used in sample-based simulation methods for assessing the quality of a Monte Carlo approximation of a given distribution and of related integrals. In this paper, we revisit the approximation of the…

Computation · Statistics 2022-04-14 Víctor Elvira , Luca Martino , Christian P. Robert

In statistical analysis, Monte Carlo (MC) stands as a classical numerical integration method. When encountering challenging sample problem, Markov chain Monte Carlo (MCMC) is a commonly employed method. However, the MCMC estimator is biased…

Numerical Analysis · Mathematics 2024-11-05 Jiarui Du , Zhijian He

When solving partial differential equations with random fields as coefficients the efficient sampling of random field realisations can be challenging. In this paper we focus on the fast sampling of Gaussian fields using quasi-random points…

Numerical Analysis · Mathematics 2023-01-10 M. Croci , M. B. Giles , P. E. Farrell

The Effective Sample Size (ESS) and Integrated Autocorrelation Time (IACT) are two popular criteria for comparing Markov Chain Monte Carlo (MCMC) algorithms and detecting their convergence. Our goal is to assess those two quantities in the…

Methodology · Statistics 2024-08-27 Lucas Seiffert , Felipe Pereira

We recently proposed a novel approach to converging electronic energies equivalent to high-level coupled-cluster (CC) computations by combining the deterministic CC($P$;$Q$) formalism with the stochastic configuration interaction (CI) and…

Chemical Physics · Physics 2021-03-23 J. Emiliano Deustua , Jun Shen , Piotr Piecuch

Quasi-Monte Carlo (QMC) methods for estimating integrals are attractive since the resulting estimators typically converge at a faster rate than pseudo-random Monte Carlo. However, they can be difficult to set up on arbitrary posterior…

Statistics Theory · Mathematics 2018-10-03 Tobias Schwedes , Ben Calderhead

In many real-world engineering systems, the performance or reliability of the system is characterised by a scalar parameter. The distribution of this performance parameter is important in many uncertainty quantification problems, ranging…

Methodology · Statistics 2022-10-03 Robert Millar , Jinglai Li , Hui Li

We introduce the energy-stepping Monte Carlo (ESMC) method, a Markov chain Monte Carlo (MCMC) algorithm based on the conventional dynamical interpretation of the proposal stage but employing an energy-stepping integrator. The…

Mathematical Physics · Physics 2023-12-13 Ignacio Romero , Michael Ortiz
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