arXiv Machine Learning

Optuna Constrained Tree-Structured Parzen Estimator Is a Joint Density Generalization of c-TPE

arXiv:2606. 09889v1 Announce Type: new Abstract: Constrained hyperparameter optimization (HPO) is common in practice, yet Optuna's widely used constrained TPE lacks algorithmic analysis.

arXiv Machine Learning
Sep 15

Exploring new directions in enhancing the ACTS parameter optimization suite

The article investigates how Bayesian optimization can improve the ACTS parameter optimization suite for charged‑particle reconstruction. By comparing Expected Improvement and Upper Confidence Bound with TPE and random search on an eight‑parameter problem, extending the best method to fifteen parameters, and applying Expected Hypervolume Improvement for multi‑objective tuning, the study shows that Bayesian acquisition methods find strong configurations earlier and maintain advantages in held‑out validation. The results demonstrate that Bayesian optimization enhances ACTS auto‑tuning through more efficient evaluations, broader search spaces, and the ability to select from non‑dominated trade‑off solutions.

By Chance LaVoie, Qi Bin Lei, Rocky Bala Garg, Lauren Tompkins
arXiv Machine Learning
Jun 18

A Human-in-the-Loop Bayesian Optimization Framework for Constraint-Aware Bioprocess Development

arXiv:2606. 19230v1 Announce Type: new Abstract: This work presents an extension to Pareto Front Guided Sampling (PFGS), a Human-in-the-Loop (HitL) Bayesian Optimization (BO) framework in which Gaussian process (GP) surrogate-derived quantities are reformulated as objectives of a multi-objective optimization problem, and the resulting Pareto front is exposed to a domain expert for interactive candidate selection rather than returning a single automated recommendation.

By Samuel Stricker, Claus Wirnsperger, Alessandro Butt\'e, Laura Helleckes, Gonzalo Guill\'en Gos\'albez, Antonio del Rio Chanona, Mehmet Mercang\"oz
arXiv Machine Learning
Sep 11

Statistically Valid Post-Training Hyperparameter Selection: From Tuning to Guarantees

The paper introduces a statistical framework for post‑training hyperparameter selection, emphasizing the learn‑then‑test (LTT) paradigm. It treats hyperparameter tuning as a multiple hypothesis testing problem over a candidate set, enabling the selection of hyperparameters that meet specified reliability constraints such as risk bounds or information‑theoretic limits. The framework provides finite‑sample control of error probabilities using p‑values, e‑values, and concentration inequalities derived from first principles.

By Amirmohammad Farzaneh, Osvaldo Simeone
arXiv Machine Learning
Sep 18

Bayesian Optimization with Rich Auxiliary Information via LLMs

The paper introduces Bayesian Optimization (BO) techniques that incorporate rich auxiliary information—such as training curves, expert notes, images, and prior knowledge—using large language models (LLMs). Three new methods are proposed to integrate this auxiliary data into BO, and they are evaluated on hyperparameter optimization benchmarks and a real-world nuclear fusion task. The results show that these LLM-enhanced BO methods consistently outperform standard BO and existing LLM-based optimization approaches.

By Tejus Gupta, Efe Mert Karag\"ozl\"u, Rohit Sonker, Barnab\'as P\'oczos, Jeff Schnieder