arXiv:2502.15913cs.LGphysics.soc-ph2025-02

用神经网络模拟复杂系统多尺度演化,提升预测与泛化能力

Connecting the geometry and dynamics of many-body complex systems with message passing neural operators

  • 基于几何与拉普拉斯重整化群设计可学习的多尺度注意力机制
  • 在百万级节点、长程相互作用和噪声数据下仍保持高精度预测
  • 揭示层次化系统的参数量幂律偏离,为模型设计提供新视角

重整化群方法建立的尺度变换与动力学关系是现代物理理论的核心,从流体力学到基本粒子物理皆适用。将重整化群思想融入神经算子,可为多体复杂系统的学习提供基础归纳偏置,并揭示其多尺度结构。本文提出可扩展的AI框架ROMA(带多尺度注意力的重整化算子),通过神经网络模拟几何与拉普拉斯重整化群过程,与神经算子协同学习。采用注意力机制连接局部子图几何表示与动力学算子,建模多尺度交互。在两个典型场景——柯尔莫哥洛夫振子与类伯格斯社会动力学中,面对超过100万节点、长程相互作用及噪声输入输出数据,验证了该框架在预测与有效动力学任务间的可扩展性与正向迁移优势。同时发现,当存在层级与多尺度交互时,模型参数量呈现对典型幂律指数的偏离,揭示了其内在组织特性。

原文摘要 · Abstract (English)

The relationship between scale transformations and dynamics established by renormalization group techniques is a cornerstone of modern physical theories, from fluid mechanics to elementary particle physics. Integrating renormalization group methods into neural operators for many-body complex systems could provide a foundational inductive bias for learning their effective dynamics, while also uncovering multiscale organization. We introduce a scalable AI framework, ROMA (Renormalized Operators with Multiscale Attention), for learning multiscale evolution operators of many-body complex systems. In particular, we develop a renormalization procedure based on neural analogs of the geometric and laplacian renormalization groups, which can be co-learned with neural operators. An attention mechanism is used to model multiscale interactions by connecting geometric representations of local subgraphs and dynamical operators. We apply this framework in challenging conditions: large systems of more than 1M nodes, long-range interactions, and noisy input-output data for two contrasting examples: Kuramoto oscillators and Burgers-like social dynamics. We demonstrate that the ROMA framework improves scalability and positive transfer between forecasting and effective dynamics tasks compared to state-of-the-art operator learning techniques, while also giving insight into multiscale interactions. Additionally, we investigate power law scaling in the number of model parameters, and demonstrate a departure from typical power law exponents in the presence of hierarchical and multiscale interactions.

多尺度建模神经算子复杂系统重整化群

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