arXiv:2606.25039cs.LGcs.AI2026-06被引 1

用大模型引导动态系统方程搜索,边学边采样,效率更高更准。

LLM-ACES: Closed-Loop Discovery of Dynamical Systems with LLM-Guided Adaptive Search

论文配图:LLM-ACES: Closed-Loop Discovery of Dynamical Systems with LLM-Guided Adaptive Search
图 1 · 摘自论文原文
  • 大模型分区域生成方程候选,缩小搜索空间。
  • 仅用十分之一数据就超越现有方法,中位NMSE最低。
  • 自动采样关键轨迹,抗噪强,能还原真实方程结构。

从数据中恢复支配常微分方程(ODE)是科学建模的核心挑战。现有方法将发现视为固定数据集上的静态推断,假设观测轨迹足够信息丰富。然而,动态系统在大状态空间演化,有限数据可能导致多个方程观测上不可区分,引发可识别性缺口并恢复错误方程。为此,我们提出LLM-ACES,即大语言模型引导的主动闭环方程搜索框架,联合优化符号假设构建与自适应数据采集。在LLM-ACES中,大语言模型(LLM)提出算子先验,将巨大搜索空间划分为不同区域,在每个区域内拟合候选方程;候选方程间的分歧指导新轨迹的获取,形成反馈循环,迭代精炼假设空间与发现的动力学。在涵盖ODEBench和ODEBase的122个ODE系统上,LLM-ACES达到最低中位数归一化均方误差(NMSE),显著优于最先进基线,分别实现46.2%和52.4%的符号准确率。分析显示,该方法样本高效,仅需十分之一数据即可达到更好性能。此外,其反馈驱动的数据采集使其对噪声鲁棒,能正确恢复符号结构,而基线则引入虚假项,局部拟合但掩盖真实关系。

原文摘要 · Abstract (English)

Recovering governing Ordinary Differential Equations (ODEs) from data is a central challenge in modeling dynamical systems across scientific domains. Existing approaches cast discovery as a static inference problem over fixed datasets, assuming that the observed trajectories are sufficiently informative. However, dynamical systems evolve over large state spaces, and limited data can make multiple equations observationally indistinguishable, leading to identifiability gaps and the recovery of incorrect governing equations. To address this, we introduce LLM-ACES, or LLM-guided Active Closed-loop Equation Search, a closed-loop framework that jointly optimizes symbolic hypothesis construction and adaptive data acquisition. In LLM-ACES, a large language model (LLM) proposes operator priors that partition the large search space into distinct regions, within which candidate equations are fit to the observed data. The disagreement among these candidates guides the acquisition of informative trajectories, creating a feedback loop that iteratively refines both the hypothesis space and the discovered dynamics. On 122 ODE systems spanning ODEBench and ODEBase, LLM-ACES achieves the lowest median NMSE, outperforming state-of-the-art baselines by several orders of magnitude while achieving a high symbolic accuracy of 46.2% and 52.4%, respectively. Our analysis further shows that LLM-ACES is sample-efficient, achieving better performance with one-tenth the data. Furthermore, LLM-ACES's feedback-driven data acquisition makes it robust to noise and recovers the correct symbolic structure, while baselines introduce spurious terms that fit the data locally but obscure the true governing relationships.

方程发现大模型应用闭环学习动力系统

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