用大模型理解实验语义信息,提升昂贵黑箱优化效率
SemanticOpt: Towards LLM-Based Semantic Black-Box Optimization
- 用结构化贝叶斯优化轨迹+自然语言上下文微调大模型
- 结合数值与语义信息,平均性能超越经典方法和现有大模型方案
- 适用于有专家经验、论文或历史实验的复杂优化场景
在每次实验代价高、耗时长或难以执行的情况下,优化实验系统极为困难。现有针对昂贵黑箱问题的优化器(如贝叶斯优化)通常仅处理数值或分类观测,无法利用专家经验、相关科学论文或过往实验等更广泛的领域知识。大语言模型(LLMs)可理解此类语义信息,但当前最先进的模型仍难以可靠解决黑箱优化问题。我们提出SemanticOpt,一种基于大模型的语义黑箱优化框架,通过在包含自然语言上下文的结构化贝叶斯优化轨迹上微调大模型,赋予其优化能力。SemanticOpt在提出新实验时联合使用数值与语义证据,并生成与贝叶斯代理模型一致的可解释预测。我们构建了一系列真实世界优化问题及其语义信息,形成多样化的评估基准。在多个领域中,当提供相关语义信息时,SemanticOpt的平均表现优于经典优化器和现有的基于大模型的方法。
原文摘要 · Abstract (English)
Optimizing an experimental system can be extremely challenging when each experiment is expensive, time-consuming, or difficult to perform. Existing optimizers for expensive black-box problems, such as Bayesian optimization, are typically limited to numerical or categorical observations. They do not make use of broader domain knowledge, such as expert heuristics, relevant scientific papers, or similar previous experiments. Large language models (LLMs) can interpret this semantic information; however, even state-of-the-art LLMs struggle to reliably solve black-box optimization problems. We introduce SemanticOpt, a framework for semantic black-box optimization that equips LLMs with optimization capabilities by fine-tuning them on structured Bayesian optimization trajectories augmented with natural-language context. SemanticOpt jointly uses numerical and semantic evidence when proposing new experiments, while producing interpretable predictions aligned with Bayesian surrogate models. We construct a range of real-world optimization problems paired with semantic information to create a diverse benchmark for evaluating semantic black-box optimization. Across these domains, SemanticOpt outperforms both classical optimizers and existing LLM-based approaches on average when given relevant semantic information.
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