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tidyHEBO: Robust General-Purpose Bayesian Optimization with Model-Consistent Warping and Pareto Search

arXiv 2607.10669 ↗First posted 12 Jul 2026cs.LGcited by 0

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Abstract (arXiv)

Bayesian optimization (BO) is widely used for expensive black-box problems, yet practical performance depends not only on high-level algorithmic choices but also on how surrogate model training, input and output warping transformations, acquisition functions, and candidate search are implemented. We present tidyHEBO, a BoTorch-native single-objective optimizer designed for robust general-purpose optimization. tidyHEBO jointly fits Yeo-Johnson output warping with the Gaussian-process surrogate, evaluates acquisition functions on the original objective scale using deterministic quadrature or MC-samples, and performs constrained cumulative Pareto search over multiple acquisition criteria. Without any Olympus-specific hyperparameter tuning - using only default optimizer configurations - tidyHEBO ranked first among the evaluated methods on the Olympus benchmark. It achieved the best average ranks for typical performance (average rank 1.53), worst-tail performance (1.21), and run-to-run variability (2.00), measured by median nAUC, CVaR_nAUC, and IQR_nAUC, respectively. Using the same default configuration, tidyHEBO also performed strongly on synthetic and Needle-in-a-Haystack problems and closely matched HEBO on Bayesmark (92.64 versus 93.34) while exceeding GP with logarithmic expected improvement and random search. Adaptive batching reduced feedback rounds while revealing a controllable trade-off between parallelization and optimization quality as the batch cap increased. These results characterize tidyHEBO as a robust, reproducible general-purpose optimizer for a broad range of practical optimization problems, including scientific applications and hyperparameter tuning.

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References · 12

  1. 2019Optuna: A Next-generation Hyperparameter Optimization Frameworkcited by 2,455
  2. 2020pymoo: Multi-objective Optimization in Pythoncited by 196
  3. 2021Bayesian Optimization is Superior to Random Search for Machine Learning Hyperparameter Tuning: Analysis of the Black-Box Optimization Challenge 2020cited by 146
  4. 2023Unexpected Improvements to Expected Improvement for Bayesian Optimizationcited by 144
  5. 2024Vanilla Bayesian Optimization Performs Great in High Dimensionscited by 87
  6. 2020HEBO Pushing The Limits of Sample-Efficient Hyperparameter Optimisationcited by 81
  7. 2013A Literature Survey of Benchmark Functions For Global Optimization Problemscited by 75
  8. 2021Benchmarking the Performance of Bayesian Optimization across Multiple Experimental Materials Science Domainscited by 46
  9. 2019Bayesian Optimization of Composite Functionscited by 45
  10. 2019Bayesian Optimization using Deep Gaussian Processescited by 22
  11. 2022Fast Bayesian Optimization of Needle-in-a-Haystack Problems using Zooming Memory-Based Initialization (ZoMBI)cited by 14
  12. 2021Revisiting Bayesian Optimization in the light of the COCO benchmarkcited by 10

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