arXiv:2507.03498cs.LGcs.AI2025-07中稿 · Journal of Compute…被引 1

用强化学习自动生成科学数据特征,提升模型预测能力。

Reinforcement Learning-based Feature Generation Algorithm for Scientific Data

  • 多智能体协作构建数学变换方程,通过强化学习演化策略。
  • 在多个科学数据集上显著提升下游任务性能,最高增益达15.3%。
  • 结合大模型实现特征可解释性评估,适合科研与工业场景。

特征生成(FG)旨在通过构造高阶特征组合并去除冗余特征来提升原始数据的预测能力,是提升表格型科学数据下游机器学习模型性能的关键预处理步骤。传统方法面临两大挑战:一是科学数据中高阶特征组合的有效构建需深厚领域知识;二是随着特征组合阶数增加,搜索空间呈指数级增长,导致人力成本过高。数据中心人工智能(DCAI)范式的发展为自动化特征生成提供了新路径。本文重新审视传统特征生成流程,提出多智能体特征生成(MAFG)框架。具体而言,在迭代探索阶段,多智能体协同构建数学变换方程,合成并识别信息量高的特征组合,并利用强化学习机制优化其策略。探索阶段结束后,MAFG融合大语言模型(LLMs)对关键模型性能突破所生成的特征进行可解释性评估。实验结果与案例研究一致表明,MAFG框架有效实现了特征生成的自动化,并显著提升了多种下游科学数据挖掘任务的表现。

原文摘要 · Abstract (English)

Feature generation (FG) aims to enhance the prediction potential of original data by constructing high-order feature combinations and removing redundant features. It is a key preprocessing step for tabular scientific data to improve downstream machine-learning model performance. Traditional methods face the following two challenges when dealing with the feature generation of scientific data: First, the effective construction of high-order feature combinations in scientific data necessitates profound and extensive domain-specific expertise. Secondly, as the order of feature combinations increases, the search space expands exponentially, imposing prohibitive human labor consumption. Advancements in the Data-Centric Artificial Intelligence (DCAI) paradigm have opened novel avenues for automating feature generation processes. Inspired by that, this paper revisits the conventional feature generation workflow and proposes the Multi-agent Feature Generation (MAFG) framework. Specifically, in the iterative exploration stage, multi-agents will construct mathematical transformation equations collaboratively, synthesize and identify feature combinations ex-hibiting high information content, and leverage a reinforcement learning mechanism to evolve their strategies. Upon completing the exploration phase, MAFG integrates the large language models (LLMs) to interpreta-tively evaluate the generated features of each significant model performance breakthrough. Experimental results and case studies consistently demonstrate that the MAFG framework effectively automates the feature generation process and significantly enhances various downstream scientific data mining tasks.

特征生成强化学习科学数据多智能体

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