arXiv Machine Learning By Beicheng Xu, Weitong Qian, Lingching Tung, Yupeng Lu, Bin Cui

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

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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.

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