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The hematopoietic system has a highly regulated and complex structure in which cells are organized to successfully create and maintain new blood cells. Feedback regulation is crucial to tightly control this system, but the specific…

统计方法学 · 统计学 2020-07-02 Luis Martinez Lomeli , Abdon Iniguez , Babak Shahbaba , John S Lowengrub , Vladimir Minin

Optimization strategies driven by machine learning, such as Bayesian optimization, are being explored across experimental sciences as an efficient alternative to traditional design of experiment. When combined with automated laboratory…

最优化与控制 · 数学 2022-10-18 Riley J. Hickman , Matteo Aldeghi , Florian Häse , Alán Aspuru-Guzik

The conventional approach to Bayesian decision-theoretic experiment design involves searching over possible experiments to select a design that maximizes the expected value of a specified utility function. The expectation is over the joint…

统计方法学 · 统计学 2023-04-18 Tommie A. Catanach , Niladri Das

Traditionally Bayesian decision-theoretic design of experiments proceeds by choosing a design to minimise expectation of a given loss function over the space of all designs. The loss function encapsulates the aim of the experiment, and the…

统计方法学 · 统计学 2021-08-10 Antony M. Overstall , James M. McGree

Precision medicine stands as a transformative approach in healthcare, offering tailored treatments that can enhance patient outcomes and reduce healthcare costs. As understanding of complex disease improves, clinical trials are being…

统计方法学 · 统计学 2024-05-15 Lara Maleyeff , Shirin Golchi , Erica E. M. Moodie , Marie Hudson

The Design of Experiments (DOEs) is a fundamental scientific methodology that provides researchers with systematic principles and techniques to enhance the validity, reliability, and efficiency of experimental outcomes. In this study, we…

机器学习 · 统计学 2025-07-22 Miao Huang , Hongqiao Wang , Kunyu Wu

Bayesian optimal experimental design has immense potential to inform the collection of data so as to subsequently enhance our understanding of a variety of processes. However, a major impediment is the difficulty in evaluating optimal…

统计计算 · 统计学 2018-03-14 David J. Price , Nigel G. Bean , Joshua V. Ross , Jonathan Tuke

The construction of decision-theoretic Bayesian designs for realistically-complex nonlinear models is computationally challenging, as it requires the optimization of analytically intractable expected utility functions over high-dimensional…

统计方法学 · 统计学 2016-07-01 Antony Overstall , David Woods

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

This study concerns the formulation and application of Bayesian optimal experimental design to symbolic discovery, which is the inference from observational data of predictive models taking general functional forms. We apply constrained…

机器学习 · 计算机科学 2022-11-30 Kenneth L. Clarkson , Cristina Cornelio , Sanjeeb Dash , Joao Goncalves , Lior Horesh , Nimrod Megiddo

Bioprocesses are central to modern biotechnology, enabling sustainable production in pharmaceuticals, specialty chemicals, cosmetics, and food. However, developing high-performing processes is costly and complex, requiring iterative,…

Bayesian optimal experimental design (OED) seeks to conduct the most informative experiment under budget constraints to update the prior knowledge of a system to its posterior from the experimental data in a Bayesian framework. Such…

机器学习 · 计算机科学 2024-02-29 Rafael Orozco , Felix J. Herrmann , Peng Chen

Bayesian optimal design is a well-established approach to planning experiments. A distribution for the responses, i.e. a statistical model, is assumed which is dependent on unknown parameters. A utility function is then specified giving…

统计方法学 · 统计学 2025-01-03 Antony M. Overstall , Jacinta Holloway-Brown , James M. McGree

Plant breeding programs use data obtained from multi-environment selection experiments to produce improved varieties with the ultimate aim of maintaining high levels of genetic gain. Selection accuracy can be improved with the use of…

统计方法学 · 统计学 2026-05-13 Brian R Cullis , Alison B Smith , David GD Hughes , David Butler

This paper considers an optimization problem for a dynamical system whose evolution depends on a collection of binary decision variables. We develop scalable approximation algorithms with provable suboptimality bounds to provide…

最优化与控制 · 数学 2016-10-31 Insoon Yang , Samuel A. Burden , Ram Rajagopal , S. Shankar Sastry , Claire J. Tomlin

Bayesian optimal experimental design is a sub-field of statistics focused on developing methods to make efficient use of experimental resources. Any potential design is evaluated in terms of a utility function, such as the (theoretically…

机器学习 · 计算机科学 2022-10-21 Noble Kennamer , Steven Walton , Alexander Ihler

For biological experiments aiming at calibrating models with unknown parameters, a good experimental design is crucial, especially for those subject to various constraints, such as financial limitations, time consumption and physical…

应用统计 · 统计学 2014-07-22 Xiao Lin , Gabriel Terejanu

Regression models are used in a wide range of applications providing a powerful scientific tool for researchers from different fields. Linear, or simple parametric, models are often not sufficient to describe complex relationships between…

机器学习 · 统计学 2021-11-24 Aliaksandr Hubin , Geir Storvik , Florian Frommlet

A wide variety of numerical methods are evaluated and compared for solving the stochastic differential equations encountered in molecular dynamics. The methods are based on the application of deterministic impulses, drifts, and Brownian…

计算物理 · 物理学 2013-05-14 Benedict Leimkuhler , Charles Matthews

Much of our mechanistic understanding of the functions of biological macromolecules is based on static structural experiments, which can be modelled either as single structures or conformational ensembles. While these provide us with…

生物大分子 · 定量生物学 2025-10-02 Daria Gusew , Carl G. Henning Hansen , Kresten Lindorff-Larsen