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In QM/MM indirect free energy simulation, QM/MM corrections can be obtained from integration of partial derivatives of alchemical Hamiltonians or from perturbation-based estimators including free energy perturbation (FEP) and acceptance…

Chemical Physics · Physics 2018-10-05 Xiaohui Wang , Zhaoxi Sun

Variational Bayes (VB) is a scalable alternative to Markov chain Monte Carlo (MCMC) for Bayesian posterior inference. Though popular, VB comes with few theoretical guarantees, most of which focus on well-specified models. However, models…

Machine Learning · Statistics 2020-08-13 Yixin Wang , David M. Blei

Implementing state estimation in low and medium voltage power distribution is still challenging given the scale of many networks and the reliance of traditional methods on a large number of measurements. This paper proposes a method to…

Systems and Control · Computer Science 2019-12-02 Roel Dobbe , Werner van Westering , Stephan Liu , Daniel Arnold , Duncan Callaway , Claire Tomlin

The digital telecommunications receiver is an important context for inference methodology, the key objective being to minimize the expected loss function in recovering the transmitted information. For that criterion, the optimal decision is…

Information Theory · Computer Science 2018-11-07 Viet Hung Tran

Variational Bayes (VB) has become a widely-used tool for Bayesian inference in statistics and machine learning. Nonetheless, the development of the existing VB algorithms is so far generally restricted to the case where the variational…

Machine Learning · Computer Science 2021-08-04 Minh-Ngoc Tran , Dang H. Nguyen , Duy Nguyen

Parameter estimation in linear errors-in-variables models typically requires that the measurement error distribution be known (or estimable from replicate data). A generalized method of moments approach can be used to estimate model…

Methodology · Statistics 2018-12-04 Linh Nghiem , Michael Byrd , Cornelis Potgieter

We prove lower bounds on the error of any estimator for the mean of a real probability distribution under the knowledge that the distribution belongs to a given set. We apply these lower bounds both to parametric and nonparametric…

Statistics Theory · Mathematics 2024-03-05 Rémy Degenne , Timothée Mathieu

Hierarchical statistical models are widely employed in information science and data engineering. The models consist of two types of variables: observable variables that represent the given data and latent variables for the unobservable…

Machine Learning · Statistics 2014-02-21 Keisuke Yamazaki

Variational inference (VI) is a widely used framework in Bayesian estimation. For most of the non-Gaussian statistical models, it is infeasible to find an analytically tractable solution to estimate the posterior distributions of the…

Machine Learning · Statistics 2020-01-31 Zhanyu Ma , Jalil Taghia , Jun Guo

We consider unbiased estimation of a sparse nonrandom vector corrupted by additive white Gaussian noise. We show that while there are infinitely many unbiased estimators for this problem, none of them has uniformly minimum variance.…

Statistics Theory · Mathematics 2010-06-02 Alexander Jung , Zvika Ben-Haim , Franz Hlawatsch , Yonina C. Eldar

In this paper we apply to gravitational waves from non-spinning binary systems a recently intro- duced frequentist methodology to calculate analytically the error for a maximum likelihood estimate (MLE) of physical parameters. While…

General Relativity and Quantum Cosmology · Physics 2011-02-02 Salvatore Vitale , Michele Zanolin

Variational Bayes (VB) has been used to facilitate the calculation of the posterior distribution in the context of Bayesian inference of the parameters of nonlinear models from data. Previously an analytical formulation of VB has been…

Signal Processing · Electrical Eng. & Systems 2020-07-06 Michael A. Chappell , Martin S. Craig , Mark W. Woolrich

The purpose of this article is to develop a general parametric estimation theory that allows the derivation of the limit distribution of estimators in non-regular models where the true parameter value may lie on the boundary of the…

Statistics Theory · Mathematics 2022-11-28 Junichiro Yoshida , Nakahiro Yoshida

The equilibrium distribution function determines macroscopic observables in statistical physics. While conventional methods correct equilibrium distributions in weakly nonlinear or near-integrable systems, they fail in strongly nonlinear…

Statistical Mechanics · Physics 2025-07-11 Jialin Zhang , Yong Zhang , Hong Zhao

Mean-field Variational Bayes (MFVB) is an approximate Bayesian posterior inference technique that is increasingly popular due to its fast runtimes on large-scale datasets. However, even when MFVB provides accurate posterior means for…

Methodology · Statistics 2018-10-18 Ryan Giordano , Tamara Broderick , Michael I. Jordan

Hyperbolic balance laws with uncertain (random) parameters and inputs are ubiquitous in science and engineering. Quantification of uncertainty in predictions derived from such laws, and reduction of predictive uncertainty via data…

Statistics Theory · Mathematics 2021-04-28 Francesca Boso , Daniel M. Tartakovsky

We consider a collection of independent random variables that are identically distributed, except for a small subset which follows a different, anomalous distribution. We study the problem of detecting which random variables in the…

Information Theory · Computer Science 2018-06-21 Natalie Durgin , Rachel Grotheer , Chenxi Huang , Shuang Li , Anna Ma , Deanna Needell , Jing Qin

Variational inference methods for latent variable statistical models have gained popularity because they are relatively fast, can handle large data sets, and have deterministic convergence guarantees. However, in practice it is unclear…

Methodology · Statistics 2017-03-22 Hachem Saddiki , Andrew C. Trapp , Patrick Flaherty

Bayesian predictive inference propagates parameter uncertainty to quantities of interest through the posterior-predictive distribution. In practice, this is typically performed using a two-stage procedure: first approximating the posterior…

Machine Learning · Statistics 2026-05-06 Nan Feng , Xun Huan

The spatial error model (SEM) is a type of simultaneous autoregressive (SAR) model for analysing spatially correlated data. Markov chain Monte Carlo (MCMC) is one of the most widely used Bayesian methods for estimating SEM, but it has…

Methodology · Statistics 2024-06-14 Anjana Wijayawardhana , David Gunawan , Thomas Suesse