arXiv:2511.05456cs.LG2025-11被引 2

让物理模拟模型轻松适配新材料,仅需少量数据。

Parameter-Efficient Conditioning for Material Generalization in Graph-Based Simulators

  • 只微调早期消息传递层,实现高效材料参数适应。
  • 用12条短轨迹即可精准预测未见材料属性(如摩擦角±2.5°)。
  • 适合需要快速迭代设计的工程逆问题与闭环控制场景。

基于图网络的物理模拟器(GNS)在学习粒子物理系统(如流体、可变形固体和颗粒流)方面表现出色,且能泛化至未见几何结构。然而,现有模型通常针对单一材料类型训练,无法跨不同本构行为泛化,限制了其在真实工程中的应用。以颗粒流为例,我们提出一种参数高效的条件机制,使GNS模型能够适应材料参数变化。研究发现,材料属性敏感性集中于早期消息传递(MP)层,这与局部本构模型(如Mohr-Coulomb)及其对信息传播的影响有关。实验证明,仅微调前1-5层(共10层)即能达到全网微调的测试性能。在此基础上,我们设计了一种面向早期层的特征线性调制(FiLM)条件机制。该方法在仅使用12条新物料的短模拟轨迹时,仍能准确进行长期滚动预测,涵盖未见、插值或适度外推的参数范围(如摩擦角±2.5°,黏聚力±0.25 kPa),相较基线多任务学习方法减少5倍数据需求。最后,我们在逆问题中验证其有效性,成功从轨迹数据中恢复未知黏聚力参数。该方法为将GNS应用于逆向设计与闭环控制提供了可能。

原文摘要 · Abstract (English)

Graph network-based simulators (GNS) have demonstrated strong potential for learning particle-based physics (such as fluids, deformable solids, and granular flows) while generalizing to unseen geometries due to their inherent inductive biases. However, existing models are typically trained for a single material type and fail to generalize across distinct constitutive behaviors, limiting their applicability in real-world engineering settings. Using granular flows as a running example, we propose a parameter-efficient conditioning mechanism that makes the GNS model adaptive to material parameters. We identify that sensitivity to material properties is concentrated in the early message-passing (MP) layers, a finding we link to the local nature of constitutive models (e.g., Mohr-Coulomb) and their effects on information propagation. We empirically validate this by showing that fine-tuning only the first few (1-5) of 10 MP layers of a pretrained model achieves comparable test performance as compared to fine-tuning the entire network. Building on this insight, we propose a parameter-efficient Feature-wise Linear Modulation (FiLM) conditioning mechanism designed to specifically target these early layers. This approach produces accurate long-term rollouts on unseen, interpolated, or moderately extrapolated values (e.g., up to 2.5 degrees for friction angle and 0.25 kPa for cohesion) when trained exclusively on as few as 12 short simulation trajectories from new materials, representing a 5-fold data reduction compared to a baseline multi-task learning method. Finally, we validate the model's utility by applying it to an inverse problem, successfully identifying unknown cohesion parameters from trajectory data. This approach enables the use of GNS in inverse design and closed-loop control tasks where material properties are treated as design variables.

物理模拟材料泛化参数高效逆问题

Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。