arXiv:2503.16953cs.AI2025-03被引 1

用神经网络引导搜索,自动发现物理方程

Neural-Guided Equation Discovery

  • 用上下文无关语法定义搜索空间,神经网络指导蒙特卡洛树搜索
  • 监督学习在多数情况下优于强化学习,语法动作空间更优
  • 适合需要从数据中自动推导公式的科研人员

深度学习在方程发现中的应用日益受到关注。本文通过综述近期研究并基于我们提出的模块化方程发现系统MGMT(Multi-Task Grammar-Guided Monte-Carlo Tree Search for Equation Discovery)的实验结果,分析了神经引导方程发现的优势与局限。MGMT采用神经引导的蒙特卡洛树搜索(MCTS),支持监督学习和强化学习,搜索空间由上下文无关语法定义。我们总结了方程发现系统的七个理想特性,强调嵌入表格数据集对学习方法的重要性。利用MGMT的模块化结构,我们在对比学习任务上评估了七种架构(包括RNN、CNN和Transformer)在表格数据嵌入上的表现。实验表明,几乎所有模块组合中,监督学习均优于强化学习。此外,使用语法规则作为动作空间比使用词元更具优势。两种MCTS变体——风险导向型MCTS和AmEx-MCTS——能有效提升方程发现效果。

原文摘要 · Abstract (English)

Deep learning approaches are becoming increasingly attractive for equation discovery. We show the advantages and disadvantages of using neural-guided equation discovery by giving an overview of recent papers and the results of experiments using our modular equation discovery system MGMT ($\textbf{M}$ulti-Task $\textbf{G}$rammar-Guided $\textbf{M}$onte-Carlo $\textbf{T}$ree Search for Equation Discovery). The system uses neural-guided Monte-Carlo Tree Search (MCTS) and supports both supervised and reinforcement learning, with a search space defined by a context-free grammar. We summarize seven desirable properties of equation discovery systems, emphasizing the importance of embedding tabular data sets for such learning approaches. Using the modular structure of MGMT, we compare seven architectures (among them, RNNs, CNNs, and Transformers) for embedding tabular datasets on the auxiliary task of contrastive learning for tabular data sets on an equation discovery task. For almost all combinations of modules, supervised learning outperforms reinforcement learning. Moreover, our experiments indicate an advantage of using grammar rules as action space instead of tokens. Two adaptations of MCTS -- risk-seeking MCTS and AmEx-MCTS -- can improve equation discovery with that kind of search.

方程发现神经引导符号回归语法搜索

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