arXiv:2510.05874cs.LG2025-10NeurIPS被引 4

用元学习让图网络模拟器快速适应新物理参数,无需重训。

MaNGO - Adaptable Graph Network Simulators via Meta-Learning

  • 通过条件神经过程编码图轨迹,学习共享潜结构
  • 在多材料属性任务中实现接近理想模型的预测精度
  • 适合需要快速切换物理参数的仿真场景

精确模拟物理过程在科学领域至关重要,应用涵盖机器人学至材料科学。传统基于网格的模拟虽准确但计算成本高,且需已知物理参数(如材料属性)。相比之下,数据驱动的图网络模拟器(GNS)推理快,但存在两大局限:一、物理参数微调即需从头训练;二、每个新参数设置都需人工采集数据,效率低下。本工作提出通过元学习学习这些变化间共享的潜在结构,实现无需重训即可快速适应新参数。我们设计新架构,利用条件神经过程(CNPs)对图轨迹编码生成潜表示,并结合新型神经算子架构缓解误差累积。在多个含不同材料属性的动力学预测任务上验证,所提方法Meta Neural Graph Operator(MaNGO)表现优于现有GNS方法,尤其在未见材料属性下预测精度接近理想模型。

原文摘要 · Abstract (English)

Accurately simulating physics is crucial across scientific domains, with applications spanning from robotics to materials science. While traditional mesh-based simulations are precise, they are often computationally expensive and require knowledge of physical parameters, such as material properties. In contrast, data-driven approaches like Graph Network Simulators (GNSs) offer faster inference but suffer from two key limitations: Firstly, they must be retrained from scratch for even minor variations in physical parameters, and secondly they require labor-intensive data collection for each new parameter setting. This is inefficient, as simulations with varying parameters often share a common underlying latent structure. In this work, we address these challenges by learning this shared structure through meta-learning, enabling fast adaptation to new physical parameters without retraining. To this end, we propose a novel architecture that generates a latent representation by encoding graph trajectories using conditional neural processes (CNPs). To mitigate error accumulation over time, we combine CNPs with a novel neural operator architecture. We validate our approach, Meta Neural Graph Operator (MaNGO), on several dynamics prediction tasks with varying material properties, demonstrating superior performance over existing GNS methods. Notably, MaNGO achieves accuracy on unseen material properties close to that of an oracle model.

图神经网络元学习物理模拟快速适应

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