Bayesian Optimization

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Overview

Bayesian optimization studies how to find good inputs to an expensive or unknown process—such as a simulation, experiment, or model configuration—using as few evaluations as possible. It typically fits a probabilistic surrogate, often a Gaussian process, then uses an acquisition function to balance trying promising inputs with exploring uncertain ones. Current approaches extend this loop with trust regions, multi-fidelity data, constraints, multiple objectives, changing conditions, and human or language-model guidance. A central challenge is choosing models and search strategies that remain reliable in high-dimensional or structured spaces without making inference and candidate selection too costly; theoretical guarantees do not always predict practical performance.

Latest papers

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243 papers45 papers in the last four weeks, up 36% on the four weeks before. 0.3% of all new papers.

  1. Multi-Objective Bayesian Optimization for Model Merging

    Aug 14, 2026Utkarsh Agarwal, Vamshi Bonagiri, Raul Astudillo +1Language Model MergingModel Merging

    Division of Computing and Mathematical Sciences Mohamed bin Zayed University of Artificial Intelligence

  2. Finding the Needle in a Haystack: Test-Time Analog Circuit Representation Adaptation for Bayesian Optimization

    Aug 13, 2026Fin Amin, Sounak Dutta, Paul D. FranzonDeep Kernel LearningRepresentation Learning

    Department of Electrical and Computer Engineering, North Carolina State University, Raleigh, NC, USA

  3. High-dimensional Multi-objective Bayesian Optimization with Learned Variable Interactions

    Aug 12, 2026Hongyan Wang, Jiayu Huang, Haotian Zheng +6Bayesian OptimizationBlack-Box Optimization

    School of Vehicle and Mobility Tsinghua University Beijing, China · Faculty of Engineering The Hong Kong Polytechnic University Hong Kong, China

  4. Exploring new directions in enhancing the ACTS parameter optimization suite

    Aug 11, 2026Chance LaVoie, Qi Bin Lei, Rocky Bala Garg +1Hyperparameter OptimizationBayesian Optimization

    Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh, PA 15213, USA · Department of Physics, University of California, Santa Cruz, and Santa Cruz Institute for Particle Physics, 1156 High St., Santa Cruz, CA 95064, USA · Department of Physics, Stanford University, Stanford, CA 94305, USA

  5. Can Bayesian Optimization Efficiently Find a Strong Single Expert in Neural Thickets?

    Aug 11, 2026Nigel Bastian Cendra, Abdelhamid Ezzerg, Fernando Julio Cendra +2Bayesian OptimizationLLM Post-Training

    University College London · Institut Polytechnique de Paris · University of Oxford

  6. Personalized Lower-limb Exoskeleton Assistance via Preference-based Bayesian Optimization

    Aug 10, 2026Xiao-Yin Liu, Guotao Li, Weiqun Wang +1Bayesian OptimizationAnkle Exoskeleton Control

    State Key Laboratory of Multimodal Artificial Intelligence Systems, Institute of Automation, Chinese Academy of Sciences, Beijing 100190, China · School of Artificial Intelligence, University of Chinese Academy of Sciences, Beijing 100049, China · CASIA-MUST Joint Laboratory of Intelligence Science and Technology, Institute of Systems Engineering, Macau University of Science and Technology, Macao, China

  7. Adaptive KappaSharp: Condition-Number Shaping for Preferential Bayesian Optimization

    Aug 8, 2026Ketong Shao, Jialu Wang, Xuekai Pei +1Bayesian OptimizationGaussian Processes

    University of California, Berkeley · 2Independent · 3Wuhan University

  8. Active Learning Guided Design Space Refinement for Scalable Multi-Objective Bayesian Optimization in Materials Discovery

    Aug 5, 2026Alexandros Ntagiantas, Panagiotis Tsilimidos, George Giannakopoulos +2Bayesian OptimizationActive Learning

    National Centre for Scientific Research “Demokritos”

  9. Out-Of-The-Loop Multi-Fidelity Bayesian Optimization

    Aug 4, 2026Gustavo Sutter, Hao Wang, Luis Ricardez-Sandoval +2Multi-Fidelity OptimizationBayesian Optimization

    Cheriton School of Computer Science, University of Waterloo, Waterloo, ON, Canada · Vector Institute, Toronto, ON, Canada · Department of Chemical Engineering, University of Waterloo, Waterloo, ON, Canada +2

  10. Exploiting Separability in Multi-Scale Grey-Box Bayesian Optimization

    Aug 4, 2026Joshua E. Hammond, Tyler A. Soderstrom, Brian A. Korgel +1Bayesian OptimizationBilevel Optimization

    McKetta Department of Chemical Engineering, The University of Texas at Austin, 200 E. Dean Keaton St. Stop C0400, Austin, Texas 78712, USA · ExxonMobil Technology and Engineering, 22777 Springwoods Village Pkwy, Spring, Texas 77389, USA · Energy Institute, The University of Texas at Austin, 2304 Whitis Ave. Stop C2400, Austin, Texas 78712, USA +1

  11. Adaptive Sampling for Automated Post-Disaster Rapid Damage Assessment via Level-Set Cost-Aware Bayesian Optimization

    Aug 3, 2026Boyang Xu, Mostafa Reisi Gahrooei, Mohammad Ilbeigi +1Disaster Damage AssessmentBuilding Damage Assessment

    School of Computing and Augmented Intelligence, Arizona State University · Department of Industrial and Systems Engineering, University of Florida · Department of Civil, Environmental and Ocean Engineering, Stevens Institute of Technology

  12. DASH: Decoupled Adaptive Surrogate - Acquisition Harness for Automated Bayesian Optimization

    Aug 1, 2026Changquan Zhao, Yuxiang Sun, Ruihao Zhu +2Bayesian OptimizationLarge Language Model-Guided Optimization

    Global College, Shanghai Jiao Tong University, Shanghai, China · Antai College of Economics and Management, Shanghai Jiao Tong University, Shanghai, China · SC Johnson College of Business, Cornell University, Ithaca, NY, USA

  13. Agentic Bayesian Optimization through Surrogate-Augmented Autoresearch

    Jul 31, 2026Paul Brunzema, Louis Tiao, Nhat Le +3Surrogate-Assisted OptimizationBayesian Optimization

    Meta · RWTH Aachen University, Germany

  14. Simple-regret rates and minimax optimality of fixed-prior expected improvement in Matérn and squared-exponential RKHSs

    Jul 31, 2026Emmanuel Vazquez, Sébastien PetitBayesian OptimizationGaussian Processes

    Université Paris-Saclay, CNRS, CentraleSupélec, Laboratoire des Signaux et Systèmes, 91190 Gif-sur-Yvette, France · Laboratoire national de métrologie et d’essais (LNE), 1 rue Gaston Boissier, 75724 Paris Cedex 15, France

  15. Frugal Bayesian Optimization: Scalable Surrogates for Data- and Resource-Limited Discovery

    Jul 31, 2026Panagiotis Krokidas, Christoforos Rekatsinas, Vassilis Sioros +3Surrogate ModelingBayesian Optimization

    Institute of Informatics and Telecommunications, National Centre for Scientific Research "Demokritos", Agia Paraskevi, Greece. · Department of Mechanical Engineering and Aeronautics, University of Patras, Patras Greece. · Department of Informatics and Telecommunications, National and Kapodistrian University of Athens, Athens, Greece. +4

  16. Robust Wavelength Selection for Partial Least Squares Sugar Content Estimation Using Combinatorial Bayesian Optimization

    Jul 30, 2026Mitsunobu Kanebako, Ami S. Koshikawa, Masaru Hitomi +4Bayesian OptimizationFeature Selection

    Graduate School of Information Sciences, Tohoku University, Miyagi 980-8564, Japan · DIC Corporation, Tokyo 103-8233, Japan · Department of Physics, Institute of Science Tokyo, Tokyo 152-8551, Japan +2

  17. Efficient Heteroscedastic Bayesian Optimization for Risk-Aware AutoRL

    Jul 29, 2026Mingxuan Che, Tsung-Yuan Tseng, Theresa Eimer +2Bayesian OptimizationRisk-Sensitive RL

    Leibniz University Hannover · CARIAD SE · University of Wuppertal +2

  18. Cost-Aware Recovery-Pathway Identification and Bayesian Optimization for Autonomous Materials Discovery

    Jul 26, 2026Debajyoti Ray, Niranjan SrinivasCost-Sensitive LearningBayesian Optimization

    Coactive Science

  19. Constraint-Bound Agnostic Bayesian Optimization: One Model for All Thresholds

    Jul 26, 2026Jin Wang, Xi Lin, Handing WangBayesian OptimizationConstrained Optimization

    School of Artificial Intelligence, Xidian University, China · School of Mathematics and Statistics, Xi’an Jiaotong University, China

  20. Transfer Learning Architectures for Scalable Multi-Fidelity Bayesian Optimization

    Jul 26, 2026Jaewook Lee, Ethan Errington, Christian D. Lorenz +1Multi-Fidelity OptimizationSurrogate Modeling

    Department of Engineering, King’s College London, London, WC2R 2LS, United Kingdom.

  21. Optimization of time-consuming experimental conditions using pseudo-experimental data guided by adaptive polynomial regression

    Jul 24, 2026Hirotaka Sugawara, Yujin Taguchi, Kei Minagawa +3Surrogate-Assisted OptimizationBayesian Optimization

    1Graduate School of Science and Technology, Keio University, Kanagawa, Japan · Department of Biosciences and Informatics, Keio University, Kanagawa, Japan

  22. Reliability-Aware Bayesian Optimization of 1310 nm PCSELs with FDTD Verification

    Jul 23, 2026Jinglin Yu, Feiyang Wu, Longying Wen +3Bayesian Optimization

    School of Science and Engineering (SSE), The Chinese University of Hong Kong, Shenzhen, Shenzhen 518172, China · Nick Holonyak Micro and Nanotechnology Laboratory, University of Illinois Urbana-Champaign, Urbana, IL 61801 USA

  23. Maximally Robust Satisficing Bayesian Optimization

    Jul 15, 2026Samuli Kinnunen, Petrus Mikkola, Antti Niskanen +1Bayesian OptimizationBlack-Box Optimization

    Department of Computer Science, University of Helsinki, Finland · ASM International N.V.

  24. Sample Efficient Generative Optimization for Molecular Design

    Jul 14, 2026Sarina Kopf, Cristina Nevado, Philippe SchwallerMolecular OptimizationSurrogate-Assisted Optimization

    LIAC, ISIC, EPFL, Lausanne, Switzerland · Department of Chemistry, University of Zurich, Zurich, Switzerland · Centre of Competence in Research (NCCR) Catalysis, Zurich, Switzerland

  25. Privacy-Aware Collaborative and Distributed Bayesian Optimization

    Jul 13, 2026Aditya Rane, Sathwik Yamana, Paritosh Ramanan +2Bayesian OptimizationPrivacy-Utility Tradeoff

    School of Industrial Engineering and Management Oklahoma State University, Stillwater, OK, USA

  26. tidyHEBO: Improving the Robustness of Heteroskedastic Evolutionary Bayesian Optimization

    Jul 12, 2026L. A. Zhukov, E. V. Shaburova, D. V. AntonetsSurrogate-Assisted OptimizationBayesian Optimization

    AI Center MSU, Lomonosov Moscow State University, Moscow, Russia · MSU Institute for Artificial Intelligence, Lomonosov Moscow State University, Moscow, Russia

  27. Pitfalls and Remedies for Multi-Task Bayesian Optimization

    Jul 10, 2026Carl Hvarfner, Sam Daulton, Max Balandat +1Bayesian OptimizationHyperparameter Transfer

    Meta

  28. Bayesian Optimization of Genetic Algorithm Hyperparameters in a Multi-Fidelity Framework for Efficient Lattice Material Design

    Jul 8, 2026Sergei Zorkaltsev, Maciej Haranczyk, Christina SchenkMulti-Fidelity OptimizationBayesian Optimization

    1IMDEA Materials Institute, Eric Kandel 2, Getafe, 28906, Madrid, Spain. · Department of Materials Science and Engineering and Chemical Engineering, Universidad Carlos III de Madrid, Av. Universidad 90, Leganes, 28911, Madrid, Spain.

  29. LLM-Driven Evolutionary Generation of Multi-Objective Bayesian Optimization Algorithms

    Jul 6, 2026Georgios Laskaris, Reuben Brasher, Niki van Stein +3Automated Algorithm DiscoveryEvolutionary Optimization

    Terra Quantum AG, Kornhausstrasse 25, 9000 St. Gallen, Switzerland · LIACS, Leiden University, Leiden, Netherlands

  30. How Many Initial Points Does Bayesian Optimization Need?

    Jul 5, 2026Mujin Cheon, James Odgers, Dong-Yeun Koh +1Bayesian OptimizationGlobal Optimization

    Korea Advanced Institute of Science & Technology (KAIST) · HayanMind Inc. · Technical University of Nuremberg (UTN) +3