arXiv AI

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.

arXiv Machine Learning
Oct 15

Tree-Structured Synergy of Large Language Models and Bayesian Optimization for Efficient CASH

The paper introduces LB-MCTS, a trajectory-structured optimization framework that combines Monte Carlo Tree Search, Bayesian Optimization, and Large Language Models to address the CASH problem in AutoML. It uses a shared tree state for algorithm selection, hyperparameter refinement, and synergy between BO and LLM proposals, with a reliability-aware policy that shifts from LLM-driven to BO-driven suggestions as the surrogate model improves. Experiments on 104 AMLB datasets show that LB-MCTS consistently outperforms existing BO-based, LLM-based, and hybrid baselines.

By Beicheng Xu, Weitong Qian, Lingching Tung, Yupeng Lu, Bin Cui
arXiv AI
Oct 9

A Closer Look at Agentic BBO: Benchmarking LLM Agents for Black-Box Optimization

The paper introduces AgenticBBO-Bench, a cross‑domain benchmark for evaluating large language model agents on black‑box optimization tasks such as synthetic functions, hyperparameter tuning, database tuning, chip design, and molecular design. Experiments show that agentic BBO outperforms direct LLM‑based methods in all five domains and beats the best numerical optimizers in four. The study also analyzes the impact of optimization tools, task semantics, prior knowledge, and the LLM’s role, finding that numerical tools are not consistently helpful, task semantics are broadly useful, and numerical optimizers can capitalize on agent‑generated search trajectories.

By Ming Chen, Rong-Xi Tan, Ke Xue, Yu-Jie Zhou, Taiye Lu, Zhi-Xuan Gao, Peng Xie, Zijun Shen, Chen Lu, Haopu Shang, Chao Qian
arXiv AI
Jun 2

FrontierOR: Benchmarking LLMs' Capacity for Efficient Algorithm Design in Large-Scale Optimization

arXiv:2605. 25246v3 Announce Type: replace Abstract: Large language models (LLMs) are increasingly used for optimization modeling and solver-code generation, yet practical operations research and optimization problems often require a harder capability: designing scalable algorithms that exploit problem structure and outperform direct formulation-and-solve baselines.

By Minwei Kong, Chonghe Jiang, Ao Qu, Wenbin Ouyang, Zhaoming Zeng, Xiaotong Guo, Zhekai Li, Junyi Li, Yi Fan, Xinshou Zheng, Xi Jing, Yikai Zhang, Zhiwei Liang, Seonghoo Kim, Runqing Yang, Zijian Zhou, Sirui Li, Han Zheng, Wangyang Ying, Ou Zheng, Chonghuan Wang, Jinglong Zhao, Hanzhang Qin, Cathy Wu, Paul Pu Liang, Jinhua Zhao, Hai Wang
arXiv Machine Learning
Aug 27

Gradient-based Sample Selection for Faster Bayesian Optimization

The paper introduces Gradient-based Sample Selection Bayesian Optimization (GSSBO), a method that builds the Gaussian process surrogate on a strategically chosen subset of samples rather than the full dataset. By using gradient information to eliminate redundant points while keeping diversity and representativeness, GSSBO achieves sublinear regret bounds and reduces the cubic computational cost of standard BO. Experiments on synthetic and real-world tasks show that this approach maintains comparable optimization performance while significantly cutting GP fitting time and resource usage.

By Qiyu Wei, Haowei Wang, Zirui Cao, Songhao Wang, Richard Allmendinger, Mauricio A \'Alvarez