mlsanityData to 14 Oct 2026

A Guide to Bayesian Optimization in Bioprocess Engineering

arXiv 2508.10642 ↗First posted 14 Aug 2025q-bio.OT stat.MLcited by 1

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Abstract (arXiv)

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 experimentation. While still in its infancy, Bayesian optimization has recently gained traction in bioprocess engineering. However, experimentation with biological systems is highly complex and the resulting experimental uncertainty requires specific extensions to classical Bayesian optimization. Moreover, current literature often targets readers with a strong statistical background, limiting its accessibility for practitioners. In light of these developments, this review has two aims: first, to provide an intuitive and practical introduction to Bayesian optimization; and second, to outline promising application areas and open algorithmic challenges, thereby highlighting opportunities for future research in machine learning.

Key facts. Cited by 1 paper in the map (data through 14 Oct 2026). Builds on 40 of its 135 references that are in the map. First posted on arXiv 14 Aug 2025.

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40 of 135 references.

References · 40

  1. 2016Automatic chemical design using a data-driven continuous representation of moleculescited by 765
  2. 2015Convolutional Networks on Graphs for Learning Molecular Fingerprintscited by 754
  3. 2018GPyTorch: Blackbox Matrix-Matrix Gaussian Process Inference with GPU Accelerationcited by 609
  4. 2015Deep Kernel Learningcited by 445
  5. 2019Scalable Global Optimization via Local Bayesian Optimizationcited by 374
  6. 2014Predictive Entropy Search for Efficient Global Optimization of Black-box Functionscited by 204
  7. 2023Unexpected Improvements to Expected Improvement for Bayesian Optimizationcited by 149
  8. 2021High-Dimensional Bayesian Optimization with Sparse Axis-Aligned Subspacescited by 141
  9. 2018Maximizing acquisition functions for Bayesian optimizationcited by 114
  10. 2015Batch Bayesian Optimization via Local Penalizationcited by 104
  11. 2024Vanilla Bayesian Optimization Performs Great in High Dimensionscited by 92
  12. 2015Predictive Entropy Search for Multi-objective Bayesian Optimizationcited by 88
28 more
  1. 2015Bayesian optimization for materials designcited by 80
  2. 2021A survey on high-dimensional Gaussian process modeling with application to Bayesian optimizationcited by 77
  3. 2017Preferential Bayesian Optimizationcited by 74
  4. 2017Dealing with Integer-valued Variables in Bayesian Optimization with Gaussian Processescited by 66
  5. 2019Bayesian Optimisation over Multiple Continuous and Categorical Inputscited by 56
  6. 2020BOSS: Bayesian Optimization over String Spacescited by 54
  7. 2021Think Global and Act Local: Bayesian Optimisation over High-Dimensional Categorical and Mixed Search Spacescited by 53
  8. 2021Benchmarking the Performance of Bayesian Optimization across Multiple Experimental Materials Science Domainscited by 48
  9. 2021GIBBON: General-purpose Information-Based Bayesian OptimisatioNcited by 47
  10. 2022Bayesian Optimization over Discrete and Mixed Spaces via Probabilistic Reparameterizationcited by 37
  11. 2021Diversified Sampling for Batched Bayesian Optimization with Determinantal Point Processescited by 24
  12. 2019Why Non-myopic Bayesian Optimization is Promising and How Far Should We Look-ahead? A Study via Rolloutcited by 23
  13. 2017Spatial Mapping with Gaussian Processes and Nonstationary Fourier Featurescited by 16
  14. 2020An Intuitive Tutorial to Gaussian Process Regressioncited by 16
  15. 2022Combining Multi-Fidelity Modelling and Asynchronous Batch Bayesian Optimizationcited by 16
  16. 2021Large-Scale Learning with Fourier Features and Tensor Decompositionscited by 14
  17. 2022New Paradigms for Exploiting Parallel Experiments in Bayesian Optimizationcited by 9
  18. 2023Machine Learning-Assisted Discovery of Flow Reactor Designscited by 8
  19. 2023Batch Bayesian Optimization for Replicable Experimental Designcited by 8
  20. 2020Knowledge transfer across cell lines using Hybrid Gaussian Process models with entity embedding vectorscited by 7
  21. 2024Transition Constrained Bayesian Optimization via Markov Decision Processescited by 7
  22. 2023Multi-Fidelity Data-Driven Design and Analysis of Reactor and Tube Simulationscited by 6
  23. 2024BoFire: Bayesian Optimization Framework Intended for Real Experimentscited by 6
  24. 2021Safe Real-Time Optimization using Multi-Fidelity Gaussian Processescited by 5
  25. 2022Designing Robust Biotechnological Processes Regarding Variabilities using Multi-Objective Optimization Applied to a Biopharmaceutical Seed Train Designcited by 4
  26. 2024Human-Algorithm Collaborative Bayesian Optimization for Engineering Systemscited by 3
  27. 2025Deterministic Global Optimization of the Acquisition Function in Bayesian Optimization: To Do or Not To Do?cited by 3
  28. 2021Automated Insulin Delivery for Type 1 Diabetes Mellitus Patients using Gaussian Process-based Model Predictive Controlcited by 2

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