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Recent computational efforts have shown that the current potential energy models used in molecular dynamics are not accurate enough to describe the conformational ensemble of RNA oligomers and suggest that molecular dynamics should be…

Computational Physics · Physics 2016-12-23 Andrea Cesari , Alejandro Gil-Ley , Giovanni Bussi

A common method for assessing validity of Bayesian sampling or approximate inference methods makes use of simulated data replicates for parameters drawn from the prior. Under continuity assumptions, quantiles of functions of the simulated…

Computation · Statistics 2019-11-21 Xuejun Yu , David J. Nott , Minh-Ngoc Tran , Nadja Klein

Problems of probabilistic inference and decision making under uncertainty commonly involve continuous random variables. Often these are discretized to a few points, to simplify assessments and computations. An alternative approximation is…

Artificial Intelligence · Computer Science 2013-03-08 William B. Poland , Ross D. Shachter

We show that a maximum likelihood approach for parameter estimation in agent-based models (ABMs) of opinion dynamics outperforms the typical simulation-based approach. Simulation-based approaches simulate the model repeatedly in search of a…

Social and Information Networks · Computer Science 2023-10-06 Jacopo Lenti , Corrado Monti , Gianmarco De Francisci Morales

The most fundamental problem in statistics is the inference of an unknown probability distribution from a finite number of samples. For a specific observed data set, answers to the following questions would be desirable: (1) Estimation:…

Statistics Theory · Mathematics 2013-01-23 Ali Kinkhabwala

In this paper, a modification of the conventional approximations to the quasi-maximum likelihood method is introduced for the parameter estimation of diffusion processes from discrete observations. This is based on a convergent…

Optimization and Control · Mathematics 2013-12-19 J. C. Jimenez

Quantifying the complexity and irregularity of time series data is a primary pursuit across various data-scientific disciplines. Sample entropy (SampEn) is a widely adopted metric for this purpose, but its reliability is sensitive to the…

Applications · Statistics 2024-05-13 Zachary Blanks , Donald E. Brown

Designing the sensing architecture for large-scale spatio-temporal systems is hard when accuracy requirements are specified but sensor models are uncertain or unavailable. Classical design treats sensor placement and estimation…

Information Theory · Computer Science 2026-05-13 Raktim Bhattacharya

We analyze the dynamics of an algorithm for approximate inference with large Gaussian latent variable models in a student-teacher scenario. To model nontrivial dependencies between the latent variables, we assume random covariance matrices…

Machine Learning · Computer Science 2020-08-26 Burak Çakmak , Manfred Opper

In this paper, we show how the MEP hypothesis may be used to build simple climate models without representing explicitly the energy transport by the atmosphere. The purpose is twofold. First, we assess the performance of the MEP hypothesis…

Atmospheric and Oceanic Physics · Physics 2017-03-21 Corentin Herbert , Didier Paillard

From the point of view of statistical mechanics, a full characterisation of a molecular system requires the experimental determination of its possible states, their populations and the respective interconversion rates. Well-established…

Computational Physics · Physics 2020-06-02 Z. Faidon Brotzakis , Michele Vendruscolo , Peter. G. Bolhuis

For complex simulation problems, inferring parameters often precludes the use of classical likelihood-based techniques due to intractable likelihoods. Simulation-based inference (SBI) methods offer a likelihood-free approach to directly…

Machine Learning · Computer Science 2026-04-16 Haley Rosso , Talea Mayo

A maximum entropy-based framework is presented for the synthesis of projections from multiple Earth climate models. This identifies the most representative (most probable) model from a set of climate models -- as defined by specified…

Geophysics · Physics 2017-08-23 Robert K. Niven

We present EntropyDB, an interactive data exploration system that uses a probabilistic approach to generate a small, query-able summary of a dataset. Departing from traditional summarization techniques, we use the Principle of Maximum…

Databases · Computer Science 2019-11-13 Laurel Orr , Magdalena Balazinska , Dan Suciu

Max-stable processes are a popular tool for the study of environmental extremes, and the extremal skew-$t$ process is a general model that allows for a flexible extremal dependence structure. For inference on max-stable processes with…

Methodology · Statistics 2020-04-21 B. Beranger , A. G. Stephenson , S. A. Sisson

Statistical physics aims to describe properties of macroscale systems in terms of distributions of their microscale agents. Its central tool is the maximization of entropy, a variational principle. We review the history of this principle,…

Statistical Mechanics · Physics 2023-10-11 Jonathan Asher Pachter , Ying-Jen Yang , Ken A. Dill

This article presents a novel, general, and effective simulation-inspired approach, called {\it repro samples method}, to conduct statistical inference. The approach studies the performance of artificial samples, referred to as {\it repro…

Methodology · Statistics 2022-06-15 Min-ge Xie , Peng Wang

Covariate balance is a conventional key diagnostic for methods used estimating causal effects from observational studies. Recently, there is an emerging interest in directly incorporating covariate balance in the estimation. We study a…

Methodology · Statistics 2017-02-14 Qingyuan Zhao , Daniel Percival

Recent reasoning Large Language Models (LLMs) demonstrate remarkable problem-solving abilities but often generate long thinking traces whose utility is unclear. Our work aims to improve their efficiency, enabling them to reach high…

Computation and Language · Computer Science 2026-05-11 Xiang Liu , Xuming Hu , Xiaowen Chu , Eunsol Choi

The diversity of a community that cannot be fully counted must be inferred. The two preeminent inference methods are the MaxEnt method, which uses information in the form of constraints and Bayes' rule which uses information in the form of…

Methodology · Statistics 2008-08-25 Adom Giffin