arXiv:2507.06529cs.LG2025-07被引 1

直接优化多步后悔值,让贝叶斯优化更智能、更稳健。

Direct Regret Optimization in Bayesian Optimization

  • 用集成高斯过程模拟多种探索路径,生成训练数据
  • 端到端训练决策变压器,直接预测最优查询点
  • 适合高维或噪声大的真实优化场景

贝叶斯优化(BO)是优化昂贵黑箱函数的强大方法。传统方法通常依赖独立设计的采集函数和代理模型,且常采用短视策略。本文提出一种新的直接后悔值优化方法,通过从候选模型与采集函数中提炼信息,联合学习最优模型与非短视采集函数,显式最小化多步后悔值。该框架利用一组具有不同超参数的高斯过程(GPs)生成模拟的贝叶斯优化轨迹,每条轨迹由一组经典采集函数引导,直至满足贝叶斯早停准则。这些模拟轨迹捕捉了多步探索策略,用于训练一个端到端的决策变压器,直接学习选择能提升最终目标的下一个查询点。我们进一步采用密集训练-稀疏学习范式:决策变压器离线使用大量来自集成GP与采集函数的模拟数据进行训练,而仅需少量真实评估在线更新GP。在合成与真实世界基准上的实验表明,本方法持续优于基线方法,在更低简单后悔值下表现出更强的鲁棒性,尤其在高维或噪声环境中表现突出。

原文摘要 · Abstract (English)

Bayesian optimization (BO) is a powerful paradigm for optimizing expensive black-box functions. Traditional BO methods typically rely on separate hand-crafted acquisition functions and surrogate models for the underlying function, and often operate in a myopic manner. In this paper, we propose a novel direct regret optimization approach that jointly learns the optimal model and non-myopic acquisition by distilling from a set of candidate models and acquisitions, and explicitly targets minimizing the multi-step regret. Our framework leverages an ensemble of Gaussian Processes (GPs) with varying hyperparameters to generate simulated BO trajectories, each guided by an acquisition function chosen from a pool of conventional choices, until a Bayesian early stop criterion is met. These simulated trajectories, capturing multi-step exploration strategies, are used to train an end-to-end decision transformer that directly learns to select next query points aimed at improving the ultimate objective. We further adopt a dense training--sparse learning paradigm: The decision transformer is trained offline with abundant simulated data sampled from ensemble GPs and acquisitions, while a limited number of real evaluations refine the GPs online. Experimental results on synthetic and real-world benchmarks suggest that our method consistently outperforms BO baselines, achieving lower simple regret and demonstrating more robust exploration in high-dimensional or noisy settings.

贝叶斯优化决策变压器多步优化

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