arXiv Machine Learning

Fast Bayesian Optimization Through Linear Models

The paper introduces fast Bayesian optimization (BO) methods that leverage linear structures in existing BO algorithms, enabling efficient optimization across a wide range of problem sizes—from 10 to over 6000 dimensions. These new methods achieve performance comparable to state‑of‑the‑art BO while being 100 to 1000 times faster, thereby expanding BO’s applicability to problems that were previously too time‑intensive. The authors also analyze the speed‑performance Pareto frontier, showing that many regions remain unfilled by current algorithms.

arXiv Machine Learning
5d ago

LLINBO: Trustworthy LLM-in-the-Loop Bayesian Optimization

LLINBO is a framework that integrates Large Language Models (LLMs) into Bayesian Optimization (BO) by deciding when to use LLM suggestions and when to fall back on classical BO. It introduces three interaction mechanisms, each with a no‑harm theoretical guarantee of sublinear cumulative regret for common kernels, without requiring performance assumptions on the LLM. Experiments show that LLINBO improves the reliability of LLM‑based BO and outperforms classical BO in both simulations and a real‑world 3D printing task.

By Chih-Yu Chang, Milad Azvar, Chinedum Okwudire, Raed Al Kontar
arXiv Machine Learning
Aug 5

Exploiting Separability in Multi-Scale Grey-Box Bayesian Optimization

arXiv:2608. 03045v1 Announce Type: new Abstract: We consider grey-box optimization problems where the decision variables naturally partition into black-box variables (as arguments to an expensive black-box function) and white-box variables, governed by a set of explicit, closed-form equations that also depend on the output of the black-box function.

By Joshua E. Hammond, Tyler A. Soderstrom, Brian A. Korgel, Michael Baldea
arXiv Machine Learning
Jul 7

Local Constrained Bayesian Optimization

arXiv:2603. 07965v2 Announce Type: replace-cross Abstract: Bayesian optimization (BO) for high-dimensional constrained problems remains a significant challenge due to the curse of dimensionality.

By Jing Jingzhe, Fan Zheyi, Szu Hui Ng, Qingpei Hu
arXiv AI
Oct 28

BoLT: A Benchmark to Democratize Black-box Optimization Research for Expensive LLM Tasks

BoLT is a new benchmark designed to make black-box optimization research for large language model (LLM) tasks more accessible. It presents a suite of realistic LLM optimization problems—covering multi‑fidelity, multi‑objective, heteroscedastic noise, and high‑dimensional search spaces—grounded in thousands of real experiments and represented by lightweight surrogate models. The authors evaluate a wide range of Bayesian and other black‑box optimization methods on BoLT, finding that some BO techniques consistently outperform others and revealing gaps in current methods for LLM optimization.

By Ruth Wan Theng Chew, Zhiliang Chen, Apivich Hemachandra, Bryan Kian Hsiang Low
arXiv Machine Learning
Aug 3

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

arXiv:2607. 29225v1 Announce Type: new Abstract: Bayesian Optimization (BO) is widely adopted for data-efficient optimization in scientific and engineering applications, yet its computational cost is rarely evaluated alongside optimization performance.

By Panagiotis Krokidas, Christoforos Rekatsinas, Vassilis Sioros, Grigorios M. Chatziathanasiou, Efi-Maria Papia, George Giannakopoulos
arXiv AI
Oct 31

Rethinking Bayesian Optimization for Co-Optimizing LLM Training Configurations

The paper introduces JoBS, a Bayesian optimization framework that co‑optimizes data and model configurations for large language model training without requiring full training runs at each iteration. JoBS first allocates part of the budget to train a scaling‑law‑inspired performance predictor using only a few training steps, then uses this predictor to guide subsequent BO iterations, thereby exploring many more configurations within the same budget. The authors analyze JoBS’s regret, derive optimal budget splits, and demonstrate that it outperforms both independent optimization and existing multi‑fidelity BO baselines across diverse downstream tasks.

By Zhiliang Chen, Alfred Wei Lun Leong, Shao Yong Ong, Apivich Hemachandra, Gregory Kang Ruey Lau, Chuan-Sheng Foo, Zhengyuan Liu, Nancy F. Chen, Bryan Kian Hsiang Low
arXiv Machine Learning
Oct 23

SABLE: Scalable Affine Bayesian Latent-space Exploration

SABLE is a Bayesian optimisation method designed for high‑dimensional latent spaces where the latent dimension far exceeds the evaluation budget. It uses a Bayesian affine surrogate that decomposes each query into an in‑span component optimized by expected improvement and an off‑span component governed by a scalar norm, with a finite‑horizon schedule to avoid under‑exploration. A recompression scheme reduces the number of pseudo‑observations to ≠O(M), keeping refitting costs manageable while achieving high sample efficiency and rapid decision times on synthetic and latent‑space optimisation tasks.

By Erik Bodin, Lisa Maria Kreusser, Donney Fan, Henry Moss, Geoff Pleiss, Nicolas Durrande