arXiv:2506.08916cs.LGmath.DS2025-06

通过多实验学习提升模型在参数空间中的泛化能力

Enhancing generalizability of model discovery across parameter space with multi-experiment equation learning (ME-EQL)

  • 基于多组实验数据构建统一模型库,减少对单次模拟的依赖
  • 相比传统方法,参数恢复相对误差显著降低
  • 适合需要跨参数泛化的复杂生物系统建模研究者

基于智能体的建模(ABM)是理解自组织生物系统的有力工具,但计算成本高且难以解析求解。方程学习(EQL)可从ABM数据中推导连续模型,但通常需为每个参数组合进行大量仿真,影响泛化能力。本文提出多实验方程学习(ME-EQL),包括一次一参数法(OAT ME-EQL)和嵌入结构法(ES ME-EQL)。前者为各参数组合分别建模并插值连接,后者构建跨参数的统一模型库。在均场出生-死亡模型与具有空间结构的迁移-出生-死亡代理模型上验证,两种方法均显著降低从代理模型恢复参数的相对误差,其中OAT ME-EQL在参数空间中展现更优泛化性。结果表明,基于多实验的方程学习可有效提升复杂生物系统模型的泛化性与可解释性。

原文摘要 · Abstract (English)

Agent-based modeling (ABM) is a powerful tool for understanding self-organizing biological systems, but it is computationally intensive and often not analytically tractable. Equation learning (EQL) methods can derive continuum models from ABM data, but they typically require extensive simulations for each parameter set, raising concerns about generalizability. In this work, we extend EQL to Multi-experiment equation learning (ME-EQL) by introducing two methods: one-at-a-time ME-EQL (OAT ME-EQL), which learns individual models for each parameter set and connects them via interpolation, and embedded structure ME-EQL (ES ME-EQL), which builds a unified model library across parameters. We demonstrate these methods using a birth--death mean-field model and an on-lattice agent-based model of birth, death, and migration with spatial structure. Our results show that both methods significantly reduce the relative error in recovering parameters from agent-based simulations, with OAT ME-EQL offering better generalizability across parameter space. Our findings highlight the potential of equation learning from multiple experiments to enhance the generalizability and interpretability of learned models for complex biological systems.

方程学习生物建模参数泛化

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