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Related papers: AutoOED: Automated Optimal Experiment Design Platf…

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Monitoring networks increasingly aim to assimilate data from a large number of diverse sensors covering many sensing modalities. Bayesian optimal experimental design (OED) seeks to identify data, sensor configurations, or experiments which…

Applications · Statistics 2024-10-16 Jake Callahan , Kevin Monogue , Ruben Villarreal , Tommie Catanach

The ability to design effective experiments is crucial for obtaining data that can substantially reduce the uncertainty in the predictions made using computational models. An optimal experimental design (OED) refers to the choice of a…

Methodology · Statistics 2025-06-17 Troy Butler , John Jakeman , Michael Pilosov , Scott Walsh , Timothy Wildey

Bayesian optimization has become widely popular across various experimental sciences due to its favorable attributes: it can handle noisy data, perform well with relatively small datasets, and provide adaptive suggestions for sequential…

Other Quantitative Biology · Quantitative Biology 2025-08-15 Maximilian Siska , Emma Pajak , Katrin Rosenthal , Antonio del Rio Chanona , Eric von Lieres , Laura Marie Helleckes

Multi-objective evolutionary algorithms (MOEAs) have become essential tools for solving multi-objective optimization problems (MOPs), making their running time analysis crucial for assessing algorithmic efficiency and guiding practical…

Neural and Evolutionary Computing · Computer Science 2025-07-04 Han Huang , Tianyu Wang , Chaoda Peng , Tongli He , Zhifeng Hao

Mixture-of-Experts (MoE) models mostly use a router to assign tokens to specific expert modules, activating only partial parameters and often outperforming dense models. We argue that the separation between the router's decision-making and…

Computation and Language · Computer Science 2025-06-02 Ang Lv , Ruobing Xie , Yining Qian , Songhao Wu , Xingwu Sun , Zhanhui Kang , Di Wang , Rui Yan

Self-driving labs are transforming drug discovery by enabling automated, AI-guided experimentation, but they face challenges in orchestrating complex workflows, integrating diverse instruments and AI models, and managing data efficiently.…

Software Engineering · Computer Science 2025-04-02 Yao Fehlis , Paul Mandel , Charles Crain , Betty Liu , David Fuller

Context: Competitions for self-driving cars facilitated the development and research in the domain of autonomous vehicles towards potential solutions for the future mobility. Objective: Miniature vehicles can bridge the gap between…

Robotics · Computer Science 2014-07-02 Christian Berger

Recent advances in computing hardware and modeling software have given rise to new applications for numerical optimization. These new applications occasionally uncover bottlenecks in existing optimization algorithms and necessitate further…

Mathematical Software · Computer Science 2024-10-18 Anugrah Jo Joshy , John T. Hwang

We propose a novel holistic approach for safe autonomous exploration and map building based on constrained Bayesian optimisation. This method finds optimal continuous paths instead of discrete sensing locations that inherently satisfy…

Robotics · Computer Science 2017-03-02 Gilad Francis , Lionel Ott , Roman Marchant , Fabio Ramos

Engineering design optimization seeks to automatically determine the shapes, topologies, or parameters of components that maximize performance under given conditions. This process often depends on physics-based simulations, which are…

Computational Engineering, Finance, and Science · Computer Science 2025-08-12 Florian Felten , Gabriel Apaza , Gerhard Bräunlich , Cashen Diniz , Xuliang Dong , Arthur Drake , Milad Habibi , Nathaniel J. Hoffman , Matthew Keeler , Soheyl Massoudi , Francis G. VanGessel , Mark Fuge

We introduce KAPSO, a modular framework for autonomous program synthesis and optimization. Given a natural language goal and an evaluation method, KAPSO iteratively performs ideation, code synthesis and editing, execution, evaluation, and…

Artificial Intelligence · Computer Science 2026-02-03 Alireza Nadafian , Alireza Mohammadshahi , Majid Yazdani

Bayesian optimization has been successfully applied throughout Chemical Engineering for the optimization of functions that are expensive-to-evaluate, or where gradients are not easily obtainable. However, domain experts often possess…

Human-Computer Interaction · Computer Science 2024-04-18 Tom Savage , Ehecatl Antonio del Rio Chanona

Machine learning (ML) is transforming modern physics research, but practical, hands-on experience with ML techniques remains limited due to cost and complexity barriers. To address this gap, we introduce an affordable, autonomous,…

Physics Education · Physics 2026-04-16 Yang Liu , Qianjie Lei , Xiaolong He , Yizhe Xue , Kexin He , Haitao Yang , Yong Wang , Xian Zhang , Li Yang , Yichun Zhou , Ruiqi Hu , Yong Xie

Autonomous vehicles are in an intensive research and development stage, and the organizations developing these systems are targeting to deploy them on public roads in a very near future. One of the expectations from fully-automated vehicles…

Robotics · Computer Science 2019-03-27 Cumhur Erkan Tuncali , Georgios Fainekos

Automatic performance tuning (auto-tuning) is essential for optimizing high-performance applications, where vast and irregular search spaces make manual exploration infeasible. While auto-tuners traditionally rely on classical approaches…

Machine Learning · Computer Science 2026-04-01 Floris-Jan Willemsen , Niki van Stein , Ben van Werkhoven

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…

Machine Learning · Computer Science 2014-05-30 Ruben Martinez-Cantin

Combinatorial optimization algorithm is essential in computer-aided drug design by progressively exploring chemical space to design lead compounds with high affinity to target protein. However current methods face inherent challenges in…

Biomolecules · Quantitative Biology 2025-07-23 Hao Tuo , Yan Li , Xuanning Hu , Haishi Zhao , Xueyan Liu , Bo Yang

Simulation-based inference (SBI) methods tackle complex scientific models with challenging inverse problems. However, SBI models often face a significant hurdle due to their non-differentiable nature, which hampers the use of gradient-based…

Machine Learning · Computer Science 2023-06-29 Vincent D. Zaballa , Elliot E. Hui

Bayesian optimization is an elegant solution to the hyperparameter optimization problem in machine learning. Building a reliable and robust Bayesian optimization service requires careful testing methodology and sound statistical analysis.…

Machine Learning · Computer Science 2016-05-23 Ian Dewancker , Michael McCourt , Scott Clark , Patrick Hayes , Alexandra Johnson , George Ke

Onboard learning is a transformative approach in edge AI, enabling real-time data processing, decision-making, and adaptive model training directly on resource-constrained devices without relying on centralized servers. This paradigm is…

Machine Learning · Computer Science 2026-01-22 Monirul Islam Pavel , Siyi Hu , Mahardhika Pratama , Ryszard Kowalczyk