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Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known…

材料科学 · 物理学 2021-07-07 Prince Henry Serrao , Stefan Sandfeld , Aruna Prakash

Bayesian optimization is a coherent, ubiquitous approach to decision-making under uncertainty, with applications including multi-arm bandits, active learning, and black-box optimization. Bayesian optimization selects decisions (i.e.…

机器学习 · 计算机科学 2023-12-13 Samuel Stanton , Wesley Maddox , Andrew Gordon Wilson

Originating in the artificial intelligence literature, optimistic planning (OP) is an algorithm that generates near-optimal control inputs for generic nonlinear discrete-time systems whose input set is finite. This technique is therefore…

最优化与控制 · 数学 2019-08-06 Mathieu Granzotto , Romain Postoyan , Lucian Buşoniu , Dragan Nešić , Jamal Daafouz

Adaptive monitoring of a large population of dynamic processes is critical for the timely detection of abnormal events under limited resources in many healthcare and engineering systems. Examples include the risk-based disease screening and…

机器学习 · 计算机科学 2023-10-24 Tanapol Kosolwattana , Huazheng Wang , Ying Lin

Cosmological parameter estimation is traditionally performed in the Bayesian context. By adopting an "agnostic" statistical point of view, we show the interest of confronting the Bayesian results to a frequentist approach based on…

宇宙学与河外天体物理 · 物理学 2016-07-12 S. Henrot-Versillé , O. Perdereau , S. Plaszczynski , B. Rouillé d'Orfeuil , M. Spinelli , M. Tristram

Quantum state tomography (QST) is typically performed from a frequentist viewpoint using maximum likelihood estimation (MLE) which seeks to find the best plausible state consistent with the data by maximizing a likelihood function /…

量子物理 · 物理学 2022-12-22 Daniel J. Lum , Yaakov Weinstein

BayesOpt is a library with state-of-the-art Bayesian optimization methods to solve nonlinear optimization, stochastic bandits or sequential experimental design problems. Bayesian optimization is sample efficient by building a posterior…

机器学习 · 计算机科学 2014-05-30 Ruben Martinez-Cantin

Understanding the oscillating behaviors that govern organisms' internal biological processes requires interdisciplinary efforts combining both biological and computer experiments, as the latter can complement the former by simulating…

应用统计 · 统计学 2024-12-17 Youngdeok Hwang , Hang J. Kim , Won Chang , Christian Hong , Steven N. MacEachern

Bayesian predictive probabilities are commonly used for interim monitoring of clinical trials through efficacy and futility stopping rules. Despite their usefulness, calculation of predictive probabilities, particularly in pre-experiment…

应用统计 · 统计学 2024-06-18 Joe Marion , Liz Lorenzi , Cora Allen-Savietta , Scott Berry , Kert Viele

We introduce a novel enhanced sampling approach named OPES flooding for calculating the kinetics of rare events from atomistic molecular dynamics simulation. This method is derived from the On-the-fly-Probability-Enhanced-Sampling (OPES)…

化学物理 · 物理学 2022-10-31 Dhiman Ray , Narjes Ansari , Valerio Rizzi , Michele Invernizzi , Michele Parrinello

We present the first framework for Gaussian-process-modulated Poisson processes when the temporal data appear in the form of panel counts. Panel count data frequently arise when experimental subjects are observed only at discrete time…

机器学习 · 统计学 2018-03-13 Hongyi Ding , Young Lee , Issei Sato , Masashi Sugiyama

We review the methods of constructing confidence intervals that account for a priori information about one-sided constraints on the parameter being estimated. We show that the so-called method of sensitivity limit yields a correct solution…

数据分析、统计与概率 · 物理学 2015-05-20 A. V. Lokhov , F. V. Tkachov

A method is described, which computes from an observed sample of events upper limits for production rates of particles, or, in case of appearance of a signal, the probability for an upwards fluctuation of the background. For any candidate,…

高能物理 - 实验 · 物理学 2010-10-27 P. Bock

Signal estimation in the presence of background noise is a common problem in several scientific disciplines. An 'On/Off' measurement is performed when the background itself is not known, being estimated from a background control sample. The…

数据分析、统计与概率 · 物理学 2021-06-16 Giacomo D'Amico , Tomislav Terzić , Jelena Strišković , Michele Doro , Marcel Strzys , Juliane van Scherpenberg

Multivariate normal mixtures provide a flexible model for high-dimensional data. They are widely used in statistical genetics, statistical finance, and other disciplines. Due to the unboundedness of the likelihood function, classical…

统计理论 · 数学 2008-05-27 Jiahua Chen , Xianming Tan

Likelihood functions evaluated using particle filters are typically noisy, computationally expensive, and non-differentiable due to Monte Carlo variability. These characteristics make conventional optimization methods difficult to apply…

统计方法学 · 统计学 2026-01-13 Genshiro Kitagawa

Comparison of appropriate models to describe observational data is a fundamental task of science. The Bayesian model evidence, or marginal likelihood, is a computationally challenging, yet crucial, quantity to estimate to perform Bayesian…

宇宙学与河外天体物理 · 物理学 2023-11-10 A. Spurio Mancini , M. M. Docherty , M. A. Price , J. D. McEwen

With a Bayesian approach, the linear optics correction algorithm for storage rings is revisited. Starting from the Bayes' theorem, a complete linear optics model is simplified as "likelihood functions" and "prior probability distributions".…

加速器物理 · 物理学 2019-04-18 Yongjun Li , Robert Rainer , Weixing Cheng

As the size of quantum devices continues to grow, the development of scalable methods to characterise and diagnose noise is becoming an increasingly important problem. Recent methods have shown how to efficiently estimate Hamiltonians in…

量子物理 · 物理学 2019-12-18 Tim J. Evans , Robin Harper , Steven T. Flammia

Bayesian optimization is a sequential method for minimizing objective functions that are expensive to evaluate and about which few assumptions can be made. By using all gathered data to train a Gaussian process model for the function and…

机器学习 · 计算机科学 2026-05-07 Jesse Schneider , William J. Welch