通过等式图压缩表达式冗余,提升科学发现中的符号回归效率
EGG-SR: Embedding Symbolic Equivalence into Symbolic Regression via Equality Graph
- 用等式图统一表示语法不同但语义相同的表达式
- 在多个基准上以相同时间更快找到更准确的物理公式
- 适用于基于搜索、强化学习或大模型的符号回归方法
符号回归旨在从实验数据中搜寻闭合形式表达式以揭示物理规律,是人工智能驱动科学发现的重要任务。然而,表达式搜索空间呈指数增长,计算挑战巨大。一个有前景但未被充分探索的方向是利用符号等价性:许多语法不同的表达式定义同一函数,例如 $\\(log(x_1^2x_2^3)$, $\\(log(x_1^2)+\\(log(x_2^3)$, 和 $2\\(log(x_1)+3\\(log(x_2)$。现有算法将这些变体视为不同输出,导致冗余探索和学习缓慢。本文提出 EGG-SR,一种将符号等价性融入现代符号回归方法(包括蒙特卡洛树搜索、深度强化学习和大语言模型)的统一框架。EGG-SR 通过提出的等式图模块(EGG)紧凑表示等价表达式,加速学习:(1) 在 EGG-MCTS 中剪枝冗余子树探索,(2) 在 EGG-DRL 中聚合等价生成序列的奖励,(3) 在 EGG-LLM 中丰富反馈提示。理论上,我们证明嵌入 EGG 可收紧 MCTS 的遗憾界并降低 DRL 梯度估计方差。实证表明,EGG-SR 在多个基准上持续提升符号回归模型性能,在相同时间内发现更准确的表达式。
原文摘要 · Abstract (English)
Symbolic regression seeks to uncover physical laws from experimental data by searching for closed-form expressions, which is an important task in AI-driven scientific discovery. Yet the exponential growth of the search space of expression renders the task computationally challenging. A promising yet underexplored direction for reducing the search space and accelerating training lies in *symbolic equivalence*: many expressions, although syntactically different, define the same function -- for example, $\log(x_1^2x_2^3)$, $\log(x_1^2)+\log(x_2^3)$, and $2\log(x_1)+3\log(x_2)$. Existing algorithms treat such variants as distinct outputs, leading to redundant exploration and slow learning. We introduce EGG-SR, a unified framework that integrates symbolic equivalence into a class of modern symbolic regression methods, including Monte Carlo Tree Search (MCTS), Deep Reinforcement Learning (DRL), and Large Language Models (LLMs). EGG-SR compactly represents equivalent expressions through the proposed EGG module (via equality graphs), accelerating learning by: (1) pruning redundant subtree exploration in EGG-MCTS, (2) aggregating rewards across equivalent generated sequences in EGG-DRL, and (3) enriching feedback prompts in EGG-LLM. Theoretically, we show the benefit of embedding EGG into learning: it tightens the regret bound of MCTS and reduces the variance of the DRL gradient estimator. Empirically, EGG-SR consistently enhances a class of symbolic regression models across several benchmarks, discovering more accurate expressions within the same time limit. Project page is at: https://nan-jiang-group.github.io/egg-sr.
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