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Many processes in chemistry and physics take place on timescales that cannot be explored using standard molecular dynamics simulations. This renders the use of enhanced sampling mandatory. Here we introduce an enhanced sampling method that…

Chemical Physics · Physics 2020-06-12 Jayashrita Debnath , Michele Parrinello

Metropolis nested sampling evolves a Markov chain from a current livepoint and accepts new points along the chain according to a version of the Metropolis acceptance ratio modified to satisfy the likelihood constraint, characteristic of…

Computation · Statistics 2020-02-11 Kamran Javid

The recent proliferation of computers and the internet have opened new opportunities for collecting and processing data. However, such data are often obtained without a well-planned probability survey design. Such non-probability based…

Applications · Statistics 2024-06-28 Vladislav Beresovsky , Julie Gershunskaya , Terrance D. Savitsky

We introduce a new sequential methodology to calibrate the fixed parameters and track the stochastic dynamical variables of a state-space system. The proposed method is based on the nested hybrid filtering (NHF) framework of [1], that…

Computation · Statistics 2021-03-24 Sara Pérez-Vieites , Joaquín Míguez

Bayesian statistical inference has become increasingly important for the analysis of observations from the Advanced LIGO and Advanced Virgo gravitational-wave detectors. To this end, iterative simulation techniques, in particular nested…

Data Analysis, Statistics and Probability · Physics 2019-04-25 Patricio Maturana Russel , Renate Meyer , John Veitch , Nelson Christensen

Bayesian statistics is concerned with conducting posterior inference for the unknown quantities in a given statistical model. Conventional Bayesian inference requires the specification of a probabilistic model for the observed data, and the…

Methodology · Statistics 2023-05-11 David T. Frazier , Christopher Drovandi , David J. Nott

In this note, we shortly survey some recent approaches on the approximation of the Bayes factor used in Bayesian hypothesis testing and in Bayesian model choice. In particular, we reassess importance sampling, harmonic mean sampling, and…

Computation · Statistics 2015-05-13 Christian P. Robert , Darren Wraith

Computation of the marginal likelihood from a simulated posterior distribution is central to Bayesian model selection but is computationally difficult. I argue that the marginal likelihood can be reliably computed from a posterior sample by…

Instrumentation and Methods for Astrophysics · Physics 2010-06-24 Martin D. Weinberg

We consider an array of random variables, taking values in a complete and separable metric space, that exhibits a kind of symmetry which we call row exchangeability. Given such an array, a natural model for Bayesian nonparametric inference…

Statistics Theory · Mathematics 2025-10-10 Evan Donald , Jason Swanson

The problem of assigning probability distributions which objectively reflect the prior information available about experiments is one of the major stumbling blocks in the use of Bayesian methods of data analysis. In this paper the method of…

Data Analysis, Statistics and Probability · Physics 2009-11-10 Ariel Caticha , Roland Preuss

In this paper we present an algorithm for rapid Bayesian analysis that combines the benefits of nested sampling and artificial neural networks. The blind accelerated multimodal Bayesian inference (BAMBI) algorithm implements the MultiNest…

Instrumentation and Methods for Astrophysics · Physics 2012-03-12 Philip Graff , Farhan Feroz , Michael P. Hobson , Anthony Lasenby

Subsampling is a computationally efficient and scalable method to draw inference in large data settings based on a subset of the data rather than needing to consider the whole dataset. When employing subsampling techniques, a crucial…

Methodology · Statistics 2025-10-08 Amalan Mahendran , Helen Thompson , James M. McGree

The recently introduced nested sampling algorithm allows the direct and efficient calculation of the partition function of atomistic systems. We demonstrate its applicability to condensed phase systems with periodic boundary conditions by…

Statistical Mechanics · Physics 2014-01-09 Lívia B. Pártay , Albert P. Bartók , Gábor Csányi

Nested sampling is often used in Bayesian statistics problems in astronomy. It operates with a set of live points, iteratively replacing the point with the lowest likelihood with a new point of higher likelihood. Each iteration reduces the…

High Energy Astrophysical Phenomena · Physics 2025-03-24 Vaibhav Tiwari

Estimating nested expectations is an important task in computational mathematics and statistics. In this paper we propose a new Monte Carlo method using post-stratification to estimate nested expectations efficiently without taking samples…

Numerical Analysis · Mathematics 2023-04-28 Tomohiko Hironaka , Takashi Goda

Gaussian process regression is a powerful Bayesian nonlinear regression method. Recent research has enabled the capture of many types of observations using non-Gaussian likelihoods. To deal with various tasks in spatial modeling, we benefit…

Machine Learning · Statistics 2025-08-26 Yuta Shikuri

We review an established Bayesian sampling method called sampling/importance resampling and highlight situations in nuclear theory when it can be particularly useful. To this end we both analyse a toy problem and demonstrate realistic…

Nuclear Theory · Physics 2023-01-18 Weiguang Jiang , Christian Forssén

Sequential sampling occurs when the entire population is not known in advance and data are obtained one at a time or in groups of units. This manuscript proposes a new algorithm to sequentially select a balanced sample. The algorithm…

Methodology · Statistics 2023-01-04 Raphaël Jauslin , Bardia Panahbehagh , Yves Tillé

Computer experiments can emulate the physical systems, help computational investigations, and yield analytic solutions. They have been widely employed with many engineering applications (e.g., aerospace, automotive, energy systems.…

Methodology · Statistics 2022-08-23 Yan Wang , Meng Wang , Areej AlBahar , Xiaowei Yue

Computing the exact likelihood of data in large Bayesian networks consisting of thousands of vertices is often a difficult task. When these models contain many deterministic conditional probability tables and when the observed values are…

Computation · Statistics 2012-06-26 Ydo Wexler , Dan Geiger
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