用树搜索提升LLM代理的自动机器学习能力,效果更好更稳定。
SELA: Tree-Search Enhanced LLM Agents for Automated Machine Learning
- 将机器学习流程建模为树结构,用蒙特卡洛树搜索优化决策路径。
- 在20个数据集上,胜过基线方法65%至80%的占比。
- 适合想自动化模型选择与调优的研究者和工程师使用。
自动化机器学习(AutoML)方法包括传统固定流水线的优化方法,以及新兴的基于大语言模型(LLM)的自主构建流水线框架。尽管基于LLM的代理在自动化机器学习任务中展现出潜力,但常生成多样性低、次优的代码,即使经过多次迭代亦然。为此,我们提出树搜索增强型LLM代理(SELA),一种创新的代理系统,利用蒙特卡洛树搜索(MCTS)优化自动机器学习过程。通过将流水线配置表示为树结构,该框架使代理能够智能地进行实验并迭代优化策略,从而更高效地探索机器学习解决方案空间。此新方法使SELA能根据实验反馈发现最优路径,显著提升最终方案质量。在20个机器学习数据集上的广泛评估中,我们对比了传统方法与基于代理的AutoML方法,结果表明,SELA在所有数据集上对每个基线的胜率均达65%至80%。这些结果凸显了基于代理策略在AutoML中的巨大潜力,为应对复杂机器学习挑战提供了全新视角。
原文摘要 · Abstract (English)
Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. These results underscore the significant potential of agent-based strategies in AutoML, offering a fresh perspective on tackling complex machine learning challenges.
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