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We have investigated decorrelation of samples in Quantum Monte Carlo (QMC) ground-state energy calculations for large Li and H$_{2}$O nanoclusters. Binning data as a way of eliminating statistical correlations, as is the common practice, is…

Materials Science · Physics 2007-10-11 D. Nissenbaum , B. Barbiellini , A. Bansil

Unfolding is an important procedure in particle physics experiments which corrects for detector effects and provides differential cross section measurements that can be used for a number of downstream tasks, such as extracting fundamental…

High Energy Physics - Phenomenology · Physics 2023-07-19 Jay Chan , Benjamin Nachman

The asymptotic behavior of estimates and information criteria in linear models are studied in the context of hierarchically correlated sampling units. The work is motivated by biological data collected on species where autocorrelation is…

Applications · Statistics 2021-10-20 Cécile Ané

Recently, machine-learning methods have been shown to be successful in identifying and classifying different phases of the square-lattice Ising model. We study the performance and limits of classification and regression models. In…

Disordered Systems and Neural Networks · Physics 2022-04-01 Burak Çivitcioğlu , Rudolf A. Römer , Andreas Honecker

AIMS. The maximum-likelihood method is the standard approach to obtain model fits to observational data and the corresponding confidence regions. We investigate possible sources of bias in the log-likelihood function and its subsequent…

Astrophysics · Physics 2009-11-11 J. Hartlap , P. Simon , P. Schneider

In predictive modeling with simulation or machine learning, it is critical to accurately assess the quality of estimated values through output analysis. In recent decades output analysis has become enriched with methods that quantify the…

Methodology · Statistics 2023-10-27 Kimia Vahdat , Sara Shashaani

The goal of metagenomics is to study the composition of microbial communities, typically using high-throughput shotgun sequencing. In the metagenomic binning problem, we observe random substrings (called contigs) from a mixture of genomes…

Information Theory · Computer Science 2019-12-13 G. Greenberg , I. Shomorony

We explore a self-learning Markov chain Monte Carlo method based on the Adversarial Non-linear Independent Components Estimation Monte Carlo, which utilizes generative models and artificial neural networks. We apply this method to the…

Disordered Systems and Neural Networks · Physics 2021-01-06 Matija Medvidovic , Juan Carrasquilla , Lauren E. Hayward , Bohdan Kulchytskyy

Convergence diagnosis for Markov chain Monte Carlo is a matter of fundamental importance in computational statistics: it determines the resources allocated to a particular sampling problem and influences the practitioner's view of the…

Computation · Statistics 2026-05-14 Buu Phan , Gergely Flamich , Ashish Khisti , Shahab Asoodeh

Performing numerical integration when the integrand itself cannot be evaluated point-wise is a challenging task that arises in statistical analysis, notably in Bayesian inference for models with intractable likelihood functions. Markov…

Computation · Statistics 2020-06-17 Lawrence Middleton , George Deligiannidis , Arnaud Doucet , Pierre E. Jacob

We propose a methodology to parallelize Hamiltonian Monte Carlo estimators. Our approach constructs a pair of Hamiltonian Monte Carlo chains that are coupled in such a way that they meet exactly after some random number of iterations. These…

Computation · Statistics 2018-08-28 Jeremy Heng , Pierre E. Jacob

Efficient sampling of complex high-dimensional probability distributions is a central task in computational science. Machine learning methods like autoregressive neural networks, used with Markov chain Monte Carlo sampling, provide good…

Statistical Mechanics · Physics 2021-11-11 Dian Wu , Riccardo Rossi , Giuseppe Carleo

The goal of this paper is to provide a cohesive description and a critical comparison of the main estimators proposed in the literature for spatial binary choice models. The properties of such estimators are investigated using a theoretical…

Methodology · Statistics 2019-06-03 Raffaella Calabrese , Johan A. Elkink

Rapid growth of genetic databases means huge savings from improvements in their data compression, what requires better inexpensive statistical models. This article proposes automatized optimizations e.g. of Markov-like models, especially…

Information Theory · Computer Science 2022-05-04 Jarek Duda

We investigate the complexity of covariance matrix estimation for Gibbs distributions based on dependent samples from a Markov chain. We show that when $\pi$ satisfies a Poincar\'e inequality and the chain possesses a spectral gap, we can…

Statistics Theory · Mathematics 2024-10-23 Yunbum Kook , Matthew S. Zhang

We consider the Bayesian calibration of models describing the phenomenon of block copolymer (BCP) self-assembly using image data produced by microscopy or X-ray scattering techniques. To account for the random long-range disorder in BCP…

Computational Physics · Physics 2022-06-24 Ricardo Baptista , Lianghao Cao , Joshua Chen , Omar Ghattas , Fengyi Li , Youssef M. Marzouk , J. Tinsley Oden

The recently introduced backward Monte-Carlo method [Johan Carlsson, arXiv:math.NA/0010118] is validated, benchmarked, and compared to the conventional, forward Monte-Carlo method by analyzing the error in the Monte-Carlo solutions to a…

Numerical Analysis · Mathematics 2025-10-20 Johan Carlsson

The paper presents an investigation of estimating treatment effect using different matching methods. The study proposed a new method which is computationally efficient and convenient in implication-'largest caliper matching' and compared…

Applications · Statistics 2018-06-07 Sharif Mahmood

Gibbs sampling is a common procedure used to fit finite mixture models. However, it is known to be slow to converge when exploring correlated regions of a parameter space and so blocking correlated parameters is sometimes implemented in…

Statistics Theory · Mathematics 2024-11-04 David Michael Swanson

Due to the complex characteristics of bottle-brush polymers, it became a challenge to develop an efficient algorithm for studying such macromolecules under various solvent conditions or some constraints in the space by using computer…

Soft Condensed Matter · Physics 2011-07-08 Hsiao-Ping Hsu