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Quality by design in pharmaceutical manufacturing hinges on computational methods and tools that are capable of accurate quantitative prediction of the design space. This paper investigates Bayesian approaches to design space…

Bayesian optimal experimental design (OED) seeks experiments that maximize the expected information gain (EIG) in model parameters. Directly estimating the EIG using nested Monte Carlo is computationally expensive and requires an explicit…

机器学习 · 计算机科学 2025-04-29 Jiayuan Dong , Christian Jacobsen , Mehdi Khalloufi , Maryam Akram , Wanjiao Liu , Karthik Duraisamy , Xun Huan

Sample-efficient exploration is crucial not only for discovering rewarding experiences but also for adapting to environment changes in a task-agnostic fashion. A principled treatment of the problem of optimal input synthesis for system…

机器学习 · 计算机科学 2019-10-10 Matthias Schultheis , Boris Belousov , Hany Abdulsamad , Jan Peters

Bayesian Non-negative Matrix Factorization (NMF) is a promising approach for understanding uncertainty and structure in matrix data. However, a large volume of applied work optimizes traditional non-Bayesian NMF objectives that fail to…

机器学习 · 统计学 2018-03-19 M. Arjumand Masood , Finale Doshi-Velez

We develop a new computational approach for "focused" optimal Bayesian experimental design with nonlinear models, with the goal of maximizing expected information gain in targeted subsets of model parameters. Our approach considers…

统计计算 · 统计学 2019-03-28 Chi Feng , Youssef M. Marzouk

The Bayesian update step poses significant computational challenges in high-dimensional nonlinear estimation. While log-homotopy particle flow filters offer an alternative to stochastic sampling, existing formulations usually yield stiff…

机器学习 · 计算机科学 2026-05-14 Domonkos Csuzdi , Tamás Bécsi , Olivér Törő

We consider the utilization of a computational model to guide the optimal acquisition of experimental data to inform the stochastic description of model input parameters. Our formulation is based on the recently developed consistent…

统计计算 · 统计学 2021-05-04 Scott N. Walsh , Tim M. Wildey , John D. Jakeman

Rational approximation of fractional order (FO) differ-integrators via Continued Fraction Expansion (CFE) is a well known technique. In this paper, the nominal structures of various generating functions are optimized using Genetic Algorithm…

系统与控制 · 计算机科学 2012-02-28 Saptarshi Das , Basudev Majumder , Anindya Pakhira , Indranil Pan , Shantanu Das , Amitava Gupta

Inference networks of traditional Variational Autoencoders (VAEs) are typically amortized, resulting in relatively inaccurate posterior approximation compared to instance-wise variational optimization. Recent semi-amortized approaches were…

机器学习 · 计算机科学 2020-11-18 Minyoung Kim , Vladimir Pavlovic

Bayesian Optimal Experimental Design (BOED) is a powerful tool to reduce the cost of running a sequence of experiments. When based on the Expected Information Gain (EIG), design optimization corresponds to the maximization of some…

机器学习 · 统计学 2025-03-14 Jacopo Iollo , Christophe Heinkelé , Pierre Alliez , Florence Forbes

Inference for partially observed Markov process models has been a longstanding methodological challenge with many scientific and engineering applications. Iterated filtering algorithms maximize the likelihood function for partially observed…

统计理论 · 数学 2012-11-26 Edward L. Ionides , Anindya Bhadra , Yves Atchadé , Aaron King

We introduce a novel technique within the Nested Sampling framework to enhance efficiency of the computation of Bayesian evidence, a critical component in scientific data analysis. In higher dimensions, Nested Sampling relies on Markov…

天体物理仪器与方法 · 物理学 2023-12-19 Joshua G. Albert

Experimental design is central to science and engineering. A ubiquitous challenge is how to maximize the value of information obtained from expensive or constrained experimental settings. Bayesian optimal experimental design (OED) provides…

统计方法学 · 统计学 2026-02-13 Sofia Mäkinen , Andrew B. Duncan , Tapio Helin

Extended object tracking methods based on random matrices, founded on Bayesian filters, have been able to achieve efficient recursive processes while jointly estimating the kinematic states and extension of the targets. Existing random…

信号处理 · 电气工程与系统科学 2025-05-27 Zhixing Wang , Le Zheng , Shi Yan , Ruud J. G. van Sloun , Nir Shlezinger , Yonina C. Eldar

In this article, an overview of Bayesian methods for sequential simulation from posterior distributions of nonlinear and non-Gaussian dynamic systems is presented. The focus is mainly laid on sequential Monte Carlo methods, which are based…

统计方法学 · 统计学 2023-04-28 Konstantinos E. Tatsis , Vasilis K. Dertimanis , Eleni N. Chatzi

Bayesian optimization (BO) is one of the most effective methods for closed-loop experimental design and black-box optimization. However, a key limitation of BO is that it is an inherently sequential algorithm (one experiment is proposed per…

机器学习 · 统计学 2023-11-21 Leonardo D. González , Victor M. Zavala

Bayesian inference without the likelihood evaluation, or likelihood-free inference, has been a key research topic in simulation studies for gaining quantitatively validated simulation models on real-world datasets. As the likelihood…

统计方法学 · 统计学 2022-11-07 Dongjun Kim , Kyungwoo Song , YoonYeong Kim , Yongjin Shin , Wanmo Kang , Il-Chul Moon , Weonyoung Joo

Nested sampling is a Bayesian sampling technique developed to explore probability distributions lo- calised in an exponentially small area of the parameter space. The algorithm provides both posterior samples and an estimate of the evidence…

生物大分子 · 定量生物学 2015-03-17 Nikolas S. Burkoff , Csilla Varnai , Stephen A. Wells , David L. Wild

Nested nonparametric processes are vectors of random probability measures widely used in the Bayesian literature to model the dependence across distinct, though related, groups of observations. These processes allow a two-level clustering,…

统计方法学 · 统计学 2024-10-10 Federico Camerlenghi , Riccardo Corradin , Andrea Ongaro

We introduce Deep Adaptive Design (DAD), a method for amortizing the cost of adaptive Bayesian experimental design that allows experiments to be run in real-time. Traditional sequential Bayesian optimal experimental design approaches…

机器学习 · 统计学 2021-06-14 Adam Foster , Desi R. Ivanova , Ilyas Malik , Tom Rainforth