arXiv:2601.06505cs.LGcs.AI2026-01

让优化算法学会预判成本变化,实现长距离规划。

Neural Nonmyopic Bayesian Optimization in Dynamic Cost Settings

  • 用神经策略+路径采样,实现20步以上非贪婪规划。
  • 在9个合成任务和2个真实场景中超越现有方法。
  • 适合需长期决策的复杂优化问题研究者。

贝叶斯优化(BO)常用于黑箱函数优化,但现有方法多假设查询成本恒定且依赖短期策略。本文提出LookaHES,一种面向动态、历史依赖成本环境的非贪婪贝叶斯优化框架,适用于评估成本随先前动作变化的场景,如空间任务中的移动距离或序列设计中的编辑距离。该方法结合多步$H$-熵搜索与路径采样,引入神经策略优化,实现超过20步的长程规划,避免了传统非贪婪方法的指数级复杂度。核心创新在于利用神经策略(包括大语言模型)有效处理蛋白质序列等结构化组合动作空间,实现推理时的规划摊销,并支持在回溯过程中融入领域约束。实验表明,LookaHES在两个至八维的九个合成基准上及两个真实任务——基于NASA夜光影像的地理空间优化和带令牌级约束的蛋白质序列设计中,均显著优于强基线(包括贪心与非贪心方法)。总体而言,LookaHES提供了一种通用、可扩展、成本感知的鲁棒长程优化方案,适用于机器学习、统计学及应用领域研究人员。代码已开源:https://github.com/sangttruong/nonmyopia。

原文摘要 · Abstract (English)

Bayesian optimization (BO) is a common framework for optimizing black-box functions, yet most existing methods assume static query costs and rely on myopic acquisition strategies. We introduce LookaHES, a nonmyopic BO framework designed for dynamic, history-dependent cost environments, where evaluation costs vary with prior actions, such as travel distance in spatial tasks or edit distance in sequence design. LookaHES combines a multi-step variant of $H$-Entropy Search with pathwise sampling and neural policy optimization, enabling long-horizon planning beyond twenty steps without the exponential complexity of existing nonmyopic methods. The key innovation is the integration of neural policies, including large language models, to effectively navigate structured, combinatorial action spaces such as protein sequences. These policies amortize lookahead planning and can be integrated with domain-specific constraints during rollout. Empirically, LookaHES outperforms strong myopic and nonmyopic baselines across nine synthetic benchmarks from two to eight dimensions and two real-world tasks: geospatial optimization using NASA night-light imagery and protein sequence design with constrained token-level edits. In short, LookaHES provides a general, scalable, and cost-aware solution for robust long-horizon optimization in complex decision spaces, which makes it a useful tool for researchers in machine learning, statistics, and applied domains. Our implementation is available at https://github.com/sangttruong/nonmyopia.

贝叶斯优化长程规划神经策略动态成本

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