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We describe the R package MOODE and demonstrate its use to find multi-objective optimal experimental designs. Multi-Objective Optimal Design of Experiments (MOODE) targets the experimental objectives directly, ensuring that the full set of…

Computation · Statistics 2024-12-24 Vasiliki Koutra , Olga Egorova , Steven G. Gilmour , Luzia A. Trinca

Model-based design of experiments (MBDOE) is essential for efficient parameter estimation in nonlinear dynamical systems. However, conventional adaptive MBDOE requires costly posterior inference and design optimization between each…

Machine Learning · Statistics 2026-03-25 Arno Strouwen , Sebastian Micluţa-Câmpeanu

Digital twins require high-quality data to achieve predictive capability, but time and resource limitations make efficient experiment design essential. Model-based design of experiments can address this challenge, especially when coupled…

We consider a class of optimization problems over stochastic variables where the algorithm can learn information about the value of any variable through a series of costly steps; we model this information acquisition process as a Markov…

Data Structures and Algorithms · Computer Science 2025-07-25 Shuchi Chawla , Dimitris Christou , Amit Harlev , Ziv Scully

Mixed-integer nonlinear programs (MINLPs) arise in domains such as energy systems, process engineering, and transportation, and are notoriously difficult to solve at scale due to the interplay of discrete decisions and nonlinear…

Machine Learning · Computer Science 2025-12-16 Bo Tang , Elias B. Khalil , Ján Drgoňa

Black-box model-based optimization (MBO) problems, where the goal is to find a design input that maximizes an unknown objective function, are ubiquitous in a wide range of domains, such as the design of proteins, DNA sequences, aircraft,…

Machine Learning · Computer Science 2022-02-18 Brandon Trabucco , Xinyang Geng , Aviral Kumar , Sergey Levine

The construction of computer models (mathematical models implemented in computer codes), with respect to observed phenomena, is usually undertaken by building different variants depending on modeller sensibility, and choosing the one…

Methodology · Statistics 2018-03-28 Filippo Monari

Construction of kinetic models has become an indispensable step in the development and scale up of processes in the industry. Model-based design of experiments (MBDoE) has been widely used for the purpose of improving parameter precision in…

Systems and Control · Electrical Eng. & Systems 2021-04-15 Panagiotis Petsagkourakis , Federico Galvanin

Model-based learning algorithms have been shown to use experience efficiently when learning to solve Markov Decision Processes (MDPs) with finite state and action spaces. However, their high computational cost due to repeatedly solving an…

Machine Learning · Computer Science 2012-07-02 Alexander L. Strehl , Lihong Li , Michael L. Littman

Designing an autonomous precise controller for ships requires accurate and reliable ship models, including the ship dynamic model and actuator model. However, selecting a suitable model for controller design and determining its parameters…

Optimization and Control · Mathematics 2023-12-12 Xu You , Xinping Yan , Jialun Liu , Shijie Li , Yuanchang Liu

Discrete black-box optimization problems are challenging for model-based optimization (MBO) algorithms, such as Bayesian optimization, due to the size of the search space and the need to satisfy combinatorial constraints. In particular,…

Optimization and Control · Mathematics 2022-06-15 Theodore Papalexopoulos , Christian Tjandraatmadja , Ross Anderson , Juan Pablo Vielma , David Belanger

We consider optimal experimental design (OED) problems in selecting the most informative observation sensors to estimate model parameters in a Bayesian framework. Such problems are computationally prohibitive when the…

Computational Engineering, Finance, and Science · Computer Science 2024-09-10 Jinwoo Go , Peng Chen

In the era of large-scale AI deployment and high-stakes clinical trials, adaptive experimentation faces a ``trilemma'' of conflicting objectives: minimizing cumulative regret (welfare loss during the experiment), maximizing the estimation…

Methodology · Statistics 2026-02-13 Jiachun Li , Kaining Shi , David Simchi-Levi

We consider the problem of black-box multi-objective optimization (MOO) using expensive function evaluations (also referred to as experiments), where the goal is to approximate the true Pareto set of solutions by minimizing the total…

Machine Learning · Computer Science 2021-11-05 Syrine Belakaria , Aryan Deshwal , Janardhan Rao Doppa

Model-based reinforcement learning is a widely accepted solution for solving excessive sample demands. However, the predictions of the dynamics models are often not accurate enough, and the resulting bias may incur catastrophic decisions…

Machine Learning · Computer Science 2024-05-03 Wanpeng Zhang , Xi Xiao , Yao Yao , Mingzhe Chen , Dijun Luo

This work introduces a framework to address the computational complexity inherent in Mixed-Integer Programming (MIP) models by harnessing the potential of deep learning. By employing deep learning, we construct problem-specific heuristics…

Optimization and Control · Mathematics 2024-05-13 Niki Triantafyllou , Maria M. Papathanasiou

Computing the exact optimal experimental design has been a longstanding challenge in various scientific fields. This problem, when formulated using a specific information function, becomes a mixed-integer nonlinear programming (MINLP)…

Methodology · Statistics 2024-09-30 Ling Liang , Haizhao Yang

The goal of survey design is often to minimize the errors associated with inference: the total of bias and variance. Random surveys are common because they allow the use of theoretically unbiased estimators. In practice however, such…

Methodology · Statistics 2023-02-14 Connie Okasaki , Sándor F. Tóth , Andrew M. Berdahl

In this study, a nondominated-solution-based multi-objective greedy method is proposed and applied to a sensor selection problem based on the multiple indices of the optimal design of experiments. The proposed method simultaneously…

Signal Processing · Electrical Eng. & Systems 2023-06-21 Kumi Nakai , Yasuo Sasaki , Takayuki Nagata , Keigo Yamada , Yuji Saito , Taku Nonomura

The problem of computing an exact experimental design that is optimal for the least-squares estimation of the parameters of a regression model is considered. We show that this problem can be solved via mixed-integer linear programming…

Computation · Statistics 2024-06-18 Radoslav Harman , Samuel Rosa
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