arXiv:2503.08131cs.LG2025-03被引 1

用大模型学习优化轨迹,1500任务下实现高效自动调参。

Large Scale Multi-Task Bayesian Optimization with Large Language Models

  • 大模型基于历史优化结果生成新任务初始点,形成反馈循环。
  • 仅需少量调用即达到比传统方法更好的优化效果。
  • 适用于数据库查询与抗菌肽设计等复杂优化场景。

多任务贝叶斯优化旨在利用已有任务的经验提升新任务的优化效率。尽管已有基于多任务高斯过程或深度核迁移的方法,但在任务数量超过中等规模时性能提升有限。本文提出一种新方法,利用大语言模型(LLM)从过往优化轨迹中学习并持续改进,可扩展至约1500个独立任务。具体而言,我们构建一个反馈环路:先用贝叶斯优化(BO)在特定任务上获得高质量解,以此微调LLM;再用该LLM为新任务生成初始化点,新的优化轨迹进一步用于更新LLM,完成闭环。我们在数据库查询优化和抗菌肽设计两个领域进行评估,结果表明该方法形成正向反馈,随着迭代,LLM生成的初始点质量逐步提升,使新任务仅需少数几轮调用即可获得优于“从零开始”贝叶斯优化的结果。

原文摘要 · Abstract (English)

In multi-task Bayesian optimization, the goal is to leverage experience from optimizing existing tasks to improve the efficiency of optimizing new ones. While approaches using multi-task Gaussian processes or deep kernel transfer exist, the performance improvement is marginal when scaling beyond a moderate number of tasks. We introduce a novel approach leveraging large language models (LLMs) to learn from, and improve upon, previous optimization trajectories, scaling to approximately 1500 distinct tasks. Specifically, we propose a feedback loop in which an LLM is fine-tuned on the high quality solutions to specific tasks found by Bayesian optimization (BO). This LLM is then used to generate initialization points for future BO searches for new tasks. The trajectories of these new searches provide additional training data for fine-tuning the LLM, completing the loop. We evaluate our method on two distinct domains: database query optimization and antimicrobial peptide design. Results demonstrate that our approach creates a positive feedback loop, where the LLM's generated initializations gradually improve, leading to better optimization performance. As this feedback loop continues, we find that the LLM is eventually able to generate solutions to new tasks in just a few shots that are better than the solutions produced by "from scratch" by Bayesian optimization while simultaneously requiring significantly fewer oracle calls.

贝叶斯优化大模型多任务自动调参

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