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Optimal experimental design (OED) plays an important role in the problem of identifying uncertainty with limited experimental data. In many applications, we seek to minimize the uncertainty of a predicted quantity of interest (QoI) based on…

Optimization and Control · Mathematics 2022-01-06 Keyi Wu , Peng Chen , Omar Ghattas

Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces. As a result, these…

Materials Science · Physics 2024-05-15 Bartosz Barzdajn , Christopher P. Race

We present a novel stochastic approach to binary optimization for optimal experimental design (OED) for Bayesian inverse problems governed by mathematical models such as partial differential equations. The OED utility function, namely, the…

Optimization and Control · Mathematics 2022-06-28 Ahmed Attia , Sven Leyffer , Todd Munson

Humans demonstrate a variety of interesting behavioral characteristics when performing tasks, such as selecting between seemingly equivalent optimal actions, performing recovery actions when deviating from the optimal trajectory, or…

Robotics · Computer Science 2022-11-08 Hanbit Oh , Hikaru Sasaki , Brendan Michael , Takamitsu Matsubara

We propose a general-purpose approach for improving the ability of large language models (LLMs) to intelligently and adaptively gather information from a user or other external source using the framework of sequential Bayesian experimental…

Computation and Language · Computer Science 2026-04-22 Deepro Choudhury , Sinead Williamson , Adam Goliński , Ning Miao , Freddie Bickford Smith , Michael Kirchhof , Yizhe Zhang , Tom Rainforth

I discuss here three important roles where machine intelligence, brain and behaviour studies together may facilitate criminal law. First, predictive modelling using brain and behaviour data may support legal investigations by predicting…

Computers and Society · Computer Science 2022-09-27 Oliver Y. Chén

Bayesian optimization (BO) is an approach to globally optimizing black-box objective functions that are expensive to evaluate. BO-powered experimental design has found wide application in materials science, chemistry, experimental physics,…

Machine Learning · Computer Science 2023-10-10 Mimi Zhang , Andrew Parnell , Dermot Brabazon , Alessio Benavoli

Designing successful interactions requires identifying optimal design parameters. To do so, designers often conduct iterative user testing and exploratory trial-and-error. This involves balancing multiple objectives in a high-dimensional…

Human-Computer Interaction · Computer Science 2025-08-25 Ryogo Niwa , Shigeo Yoshida , Yuki Koyama , Yoshitaka Ushiku

Bayesian optimization (BO) is an integral part of automated scientific discovery -- the so-called self-driving lab -- where human inputs are ideally minimal or at least non-blocking. However, scientists often have strong intuition, and thus…

Sequential decision problems are often approximately solvable by simulating possible future action sequences. Metalevel decision procedures have been developed for selecting which action sequences to simulate, based on estimating the…

Artificial Intelligence · Computer Science 2014-08-12 Nicholas Hay , Stuart Russell , David Tolpin , Solomon Eyal Shimony

With the recent advances in machine learning, creating agents that behave realistically in simulated air combat has become a growing field of interest. This survey explores the application of machine learning techniques for modeling air…

Machine Learning · Computer Science 2025-10-08 Patrick Ribu Gorton , Andreas Strand , Karsten Brathen

Bayesian models are a powerful tool for studying complex data, allowing the analyst to encode rich hierarchical dependencies and leverage prior information. Most importantly, they facilitate a complete characterization of uncertainty…

Machine Learning · Statistics 2023-04-25 Steven Winter , Trevor Campbell , Lizhen Lin , Sanvesh Srivastava , David B. Dunson

This paper shows how the Bayesian network paradigm can be used in order to solve combinatorial optimization problems. To do it some methods of structure learning from data and simulation of Bayesian networks are inserted inside Estimation…

Artificial Intelligence · Computer Science 2013-01-18 Pedro Larrañaga , Ramon Etxeberria , Jose A. Lozano , Jose M. Pena

Empirical design in reinforcement learning is no small task. Running good experiments requires attention to detail and at times significant computational resources. While compute resources available per dollar have continued to grow…

Machine Learning · Computer Science 2024-10-30 Andrew Patterson , Samuel Neumann , Martha White , Adam White

Optimal experimental design (OED) provides a systematic approach to quantify and maximize the value of experimental data. Under a Bayesian approach, conventional OED maximizes the expected information gain (EIG) on model parameters.…

Computation · Statistics 2026-04-08 Shijie Zhong , Wanggang Shen , Tommie Catanach , Xun Huan

Bayesian Optimal Experimental Design (BOED) provides a rigorous framework for decision-making tasks in which data acquisition is often the critical bottleneck, especially in resource-constrained settings. Traditionally, BOED typically…

Machine Learning · Statistics 2026-04-24 Di Wu , Ling Liang , Haizhao Yang

The ongoing deep learning revolution has allowed computers to outclass humans in various games and perceive features imperceptible to humans during classification tasks. Current machine learning techniques have clearly distinguished…

Robotics · Computer Science 2023-06-07 Joshua Paul Powers

Bayesian optimization has been successfully applied to optimize black-box functions where the number of evaluations is severely limited. However, in many real-world applications, it is hard or impossible to know in advance which designs are…

Microplastics contamination is one of the most rapidly growing research topics. However, monitoring microplastics contamination in the environment presents both logistical and statistical challenges, particularly when constrained resources…

We propose to use Bayesian optimization (BO) to improve the efficiency of the design selection process in clinical trials. BO is a method to optimize expensive black-box functions, by using a regression as a surrogate to guide the search.…

Methodology · Statistics 2021-05-20 Jakob Richter , Tim Friede , Jörg Rahnenführer