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

  1. Acquisition for Spherical-Linear Bayesian Optimization on the Cube

    Oct 23, 2026Nathan WycoffBayesian OptimizationSurrogate-Assisted Optimization

    Department of Mathematics and Statistics, University of Massachusetts Amherst

  2. SABLE: Scalable Affine Bayesian Latent-space Exploration

    Oct 22, 2026Erik Bodin, Lisa Maria Kreusser, Donney Fan +3Bayesian OptimizationLatent Space Optimization

    Monumo · University of British Columbia · Lancaster University +1

  3. HimmBO: High-Dimensional Interactive Model-Merging Bayesian Optimization for Image Generation

    Oct 22, 2026Jinyuan Mao, Zhihao Shen, Chenxi LiuModel MergingBayesian Optimization

    Zhejiang University · University of Victoria

  4. Fast Bayesian Optimization Through Linear Models

    Oct 21, 2026Colin Doumont, Henry Moss, Philipp HennigBayesian OptimizationSurrogate Modeling

    University of Tübingen, Tübingen AI Center · Lancaster University

  5. Design and Tuning of Multi-Agent Systems Using Bayesian Evolutionary Optimization

    Oct 21, 2026Dominik Jehle, Tom ZehleMulti-Agent System OptimizationMulti-Agent Systems

    University of Freiburg Freiburg im Breisgau, Germany

  6. Gaussian Process Bandits with Paired Auxiliary Observations

    Oct 17, 2026Weibo Huang, Qing Feng, Ruihao Zhu +1Bayesian OptimizationGaussian Process Bandits

    Antai College of Economics and Management, Shanghai Jiao Tong University · School of Operations Research and Information Engineering, Cornell University · SC Johnson College of Business, Cornell University

  7. VBO-MI: A Differentiable Black-Box Optimization Framework via Variational Mutual Information Estimation

    Oct 17, 2026Farhad MirkarimiBayesian OptimizationBlack-Box Optimization

    McGill University

  8. Acquisition Function-Guided Generation for Bayesian Optimization over Discrete Spaces

    Oct 16, 2026Tommaso Ancilli, Thomas Wedenig, Henry Moss +1Bayesian OptimizationMolecular Optimization

    Institute of Machine Learning and Neural Computation, TU Graz, Austria · Graz Center for Machine Learning (GraML), Austria · School of Mathematical Sciences, Lancaster University, UK

  9. FGSS-BO: Feedback-Guided Hypothesis Management for LLM-Based Bayesian Optimization

    Oct 15, 2026Hao Chen, Ziyang Ling, Ronald X. Xu +1Large Language Model-Guided OptimizationBayesian Optimization

    School of Biomedical Engineering, University of Science and Technology of China, Suzhou, China · School of Engineering Science, University of Science and Technology of China, Suzhou, China

  10. Convergence Rates of Gaussian Process Thompson Sampling for Efficient Global Optimization

    Oct 14, 2026Haowei Wang, Yilin ZhengThompson SamplingGlobal Optimization

    National University of Singapore Singapore

  11. ActMOF: Mapping Reticular Synthesis through Active Learning

    Oct 14, 2026Hongrui Sheng, Shutian Liang, Reid A. Coyle +5Active LearningMaterials Science

    Department of Chemistry, Washington University, St. Louis, Missouri 63130, United States · Department of Chemistry, Fudan University, Shanghai 200438, China · Department of Energy, Environmental and Chemical Engineering, Washington University, St. Louis, Missouri 63130, United States +2

  12. Fully sequential Gaussian process regression for preference learning

    Oct 14, 2026Ilya O. RyzhovBayesian OptimizationGaussian Process Regression

  13. How Low Can You Go: Fine-Tuning LLMs with Bayesian Optimization (LlMBO)

    Oct 13, 2026Aditya Kulkarni, Davide Sartor, Carlos Soto +1LLM Fine-TuningFine-Tuning Language Models

    Department of Physics, University of Massachusetts Amherst · Department of Mathematics and Statistics, University of Massachusetts Amherst

  14. Principled Design of Expected Improvement for Continuous Simulation Optimization

    Oct 13, 2026Songhao Wang, Jianglin Xia, Haowei Wang +1Stochastic OptimizationStochastic Optimization Convergence

    College of Business, Southern University of Science and Technology, Shenzhen, CHINA · Department of Industrial Systems Engineering and Management, National University of Singapore, Singapore, SINGAPORE

  15. Bayesian Optimization of CVaR with Unknown Hyperparameters

    Oct 13, 2026Valentin Margraf, Jonas Hanselle, Viktor Bengs +3Bayesian OptimizationConditional Value-at-Risk

    LMU Munich · Munich Center for Machine Learning (MCML) · German Research Center for Artificial Intelligence (DFKI) +3

  16. Agentic-MatriBO: Capability-Compiled Agentic Bayesian Optimization for Materials and Chemical Design

    Oct 13, 2026Yu Zeng, Yuchuan Chen, Ziyue Zhang +5Materials DiscoveryBayesian Optimization

    DP Technology, Beijing, China

  17. Formal-Verification-Guided Bayesian Optimization for Non-Intrusive Last-Mile Coverage Closure

    Oct 12, 2026Chengjia Liu, Priyadarsi Mishra, David Kebo Houngninou +3Bayesian OptimizationFormal Hardware Verification

    Department of Electrical and Computer Engineering, Texas A&M University, College Station, Texas, USA · Department of Computer Science and Engineering, Texas A&M University, College Station, Texas, USA

  18. Generative Models as Adaptive Trust Regions for Discrete Bayesian Optimisation

    Oct 12, 2026Michael Dodds, Erik Bodin, Sebastian W. Ober +3Bayesian OptimizationBlack-Box Optimization

    University of Cambridge · Monumo · BigHat Biosciences +2

  19. Exploration strategies for Gaussian process bandit optimization with inference regret guarantees

    Oct 12, 2026Hwanwoo Kim, Jungwoo Hong, Kyungjae LeeGaussian Process BanditsBayesian Optimization

    Department of Mathematical Sciences, University of Texas at Dallas · Department of Statistics, Korea University

  20. Understanding Hidden Spatial Preferences in Bayesian Optimization

    Oct 10, 2026Maria Bånkestad, Jens SjölundBayesian OptimizationUncertainty-Aware Exploration

  21. TagBO: LLM-Driven Task-Aware Graph Bayesian Optimization for Scientific Discovery

    Oct 10, 2026Xinzhe Yuan, Zimu Zeng, Zhuo Chen +6Bayesian OptimizationLarge Language Model-Guided Optimization

    Harbin Institute of Technology · Shanghai Artificial Intelligence Laboratory · Fudan University +4

  22. LLM-Augmented Bayesian Optimization with Adaptive Policies for Chiplet Design Space Exploration

    Oct 10, 2026Hang Liu, Zhengfei Chen, Zhengrui Chen +3Large Language Model-Guided OptimizationElectronic Design Automation

    Zhejiang University, Hangzhou, China · ChipFlux, Hangzhou, China · ShanghaiTech University, Shanghai, China

  23. STREGO: A Scalable Implementation of a Trust-Region Framework for Noisy Bayesian Optimization

    Oct 9, 2026Youssef Diouane, Issmail El Hallaoui, Meisseme Kadri +1Bayesian OptimizationTrust-Region Optimization

    GERAD & Department of Mathematics and Industrial Engineering, Polytechnique Montr´eal. · GERAD & Department of Management, Universit´e du Qu´ebec `a Trois-Rivi`eres.

  24. ISBO: Scalable Spatio-Temporal Bayesian Optimization with Log Gaussian Cox Process Models via the INLA-SPDE Approach

    Oct 8, 2026Kaichuang Yang, Håvard Rue, Jakob ZeitlerBayesian OptimizationBayesian Inference

    KAUST · University of Oxford

  25. Bayesian Optimisation under State-Preservation Constraints

    Oct 8, 2026Gabriel Diaz-Aylwin, Vignesh Gopakumar, Omkar Myatra +4Constrained OptimizationBayesian Optimization

    Lancaster University, UK · UK Atomic Energy Authority

  26. Exploiting Gradients in Bayesian Inference of Expensive Simulators

    Oct 8, 2026Šimon Soldát, Václav ŠmídlSimulation-Based InferenceBayesian Optimization

    Department of Computer Science, Faculty of Electrical Engineering, Czech Technical University in Prague, Czech Republic · Institute of Plasma Physics of the Czech Academy of Sciences, Prague, Czech Republic

  27. Example-driven Parametrisations for Bayesian Shape Optimisation

    Oct 8, 2026Gabriel Diaz-Aylwin, Joseph Neighbor, Abiel Malkani Talwar +2Bayesian Optimization

    Lancaster University

  28. Pre-training of Bayesian Optimization Algorithm through Bayesian Optimization

    Oct 7, 2026Satoshi Katayama, Shoyo Hunt, Shintaro Masuda +1Bayesian OptimizationBlack-Box Optimization

    Nagoya Institute of Technology

  29. A Unified Information-Theoretic Approach to Constrained Multi-Fidelity Multi-Objective Bayesian Optimization

    Oct 7, 2026Rikuto Matsumoto, Masanori Ishikura, Masayuki KarasuyamaBayesian OptimizationMulti-Objective Optimization

    Nagoya Institute of Technology

  30. CATune: Structural Constraint-Aware Bayesian Optimization for DBMS Configuration Tuning

    Oct 7, 2026Fangping Lan, Qi Zhang, Eduard DragutDatabase SystemsBayesian Optimization

    Temple University Philadelphia, PA, USA