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Proposed here is a dynamic Monte-Carlo algorithm that is efficient in simulating dense systems of long flexible chain molecules. It expands on the configurational-bias Monte-Carlo method through the simultaneous generation of a large set of…

Statistical Mechanics · Physics 2018-08-29 Niels Boon

This paper introduces a Bayesian framework that combines Markov chain Monte Carlo (MCMC) sampling, dimensionality reduction, and neural density estimation to efficiently handle inverse problems that (i) must be solved multiple times, and…

Computational Engineering, Finance, and Science · Computer Science 2026-02-24 Giacomo Bottacini , Matteo Torzoni , Andrea Manzoni

A novel approach of accurately reconstructing storage ring's linear optics from turn-by-turn (TbT) data containing measurement error is introduced. This approach adopts a Bayesian inference based on the Markov Chain Monte-Carlo (MCMC)…

Accelerator Physics · Physics 2019-07-01 Yue Hao , Yongjun Li , Michael Balcewicz , Leo Neufcourt , Weixing Cheng

Markov chain Monte Carlo (MCMC) methods are often used in clustering since they guarantee asymptotically exact expectations in the infinite-time limit. In finite time, though, slow mixing often leads to poor performance. Modern computing…

Methodology · Statistics 2022-02-24 Tin D. Nguyen , Brian L. Trippe , Tamara Broderick

The estimation of modal parameters from a set of noisy measured data is a highly judgmental task, with user expertise playing a significant role in distinguishing between estimated physical and noise modes of a test-piece. Various methods…

Applications · Statistics 2017-09-13 Vahid Yaghoubi , Majid K. Vakilzadeh , Thomas J. S. Abrahamsson

To unravel pairing mechanism of a superconductor from limited, indirect experimental data is always a difficult task. It is common but sometimes dubious to explain by a theoretical model with some tuning parameters. In this work, we propose…

Computational Physics · Physics 2021-01-01 Wan-Ju Li , Ming-Chien Hsu , Shin-Ming Huang

In this work, we developed an efficient approach to compute ensemble averages in systems with pairwise-additive energetic interactions between the entities. Methods involving full enumeration of the configuration space result in exponential…

Biomolecules · Quantitative Biology 2020-10-13 Arun V. Sathanur , Nathan A. Baker

Markov chain Monte Carlo (MCMC) is the engine of modern Bayesian statistics, being used to approximate the posterior and derived quantities of interest. Despite this, the issue of how the output from a Markov chain is post-processed and…

Methodology · Statistics 2021-09-07 Leah F. South , Marina Riabiz , Onur Teymur , Chris. J. Oates

For various applications, the relations between the dependent and independent variables are highly nonlinear. Consequently, for large scale complex problems, neural networks and regression trees are commonly preferred over linear models…

Machine Learning · Computer Science 2017-05-23 Samet Oymak , Mehrdad Mahdavi , Jiasi Chen

By amalgamating data from disparate sources, the resulting integrated dataset becomes a valuable resource for statistical analysis. In probabilistic record linkage, the effectiveness of such integration relies on the availability of linkage…

Methodology · Statistics 2025-11-10 Siu-Ming Tam , Min Wang , Alicia Rambaldi , Dehua Tao

We study some of the most commonly used mutual information estimators, based on histograms of fixed or adaptive bin size, $k$-nearest neighbors and kernels, and focus on optimal selection of their free parameters. We examine the consistency…

Data Analysis, Statistics and Probability · Physics 2015-05-13 Angeliki Papana , Dimitris Kugiumtzis

Conformal prediction constructs a set of labels instead of a single point prediction, while providing a probabilistic coverage guarantee. Beyond the coverage guarantee, adaptiveness to example difficulty is an important property. It means…

Machine Learning · Computer Science 2025-11-18 Sooyong Jang , Insup Lee

Scan line levelling, a ubiquitous and often necessary step in AFM data processing, can cause a severe bias on measured roughness parameters such as mean square roughness or correlation length. Although bias estimates have been formulated,…

Data Analysis, Statistics and Probability · Physics 2024-06-06 David Nečas

Monte Carlo (MC) techniques are often used to estimate integrals of a multivariate function using randomly generated samples of the function. In light of the increasing interest in uncertainty quantification and robust design applications…

Machine Learning · Statistics 2011-08-25 Brendan Tracey , David Wolpert , Juan J. Alonso

Approximate Bayesian computation allows for inference of complicated probabilistic models with intractable likelihoods using model simulations. The Markov chain Monte Carlo implementation of approximate Bayesian computation is often…

Computation · Statistics 2019-05-17 Matti Vihola , Jordan Franks

For an AI system to be reliable, the confidence it expresses in its decisions must match its accuracy. To assess the degree of match, examples are typically binned by confidence and the per-bin mean confidence and accuracy are compared.…

Machine Learning · Computer Science 2022-02-14 Rebecca Roelofs , Nicholas Cain , Jonathon Shlens , Michael C. Mozer

Because biological processes can make different loci have different evolutionary histories, species tree estimation requires multiple loci from across the genome. While many processes can result in discord between gene trees and species…

Quantitative Methods · Quantitative Biology 2018-03-13 Md. Shamsuzzoha Bayzid , Siavash Mirarab , Bastien Boussau , Tandy Warnow

Binned data often appears in different fields of research, and it is generated after summarizing the original data in a sequence of pairs of bins (or their midpoints) and frequencies. There may exist different reasons to only provide this…

Methodology · Statistics 2024-09-13 Asael Fabian Martínez , Carlos Díaz-Avalos

When reading peer-reviewed scientific literature describing any analysis of empirical data, it is natural and correct to proceed with the underlying assumption that experiments have made good faith efforts to ensure that their analyses…

Data Analysis, Statistics and Probability · Physics 2012-09-13 S. Towers

Intensity mapping experiments will soon have surveyed large swathes of the sky, providing information about the underlying matter distribution of the early universe. The resulting maps can be used to recover statistical information, such as…

Cosmology and Nongalactic Astrophysics · Physics 2024-08-15 Lisa McBride , Adrian Liu