arXiv:2506.04171cs.LGcs.AI2025-06NeurIPS被引 51

让生成模型的模拟结果严格满足物理定律,无需重新训练。

Physics-Constrained Flow Matching: Sampling Generative Models with Hard Constraints

  • 在采样过程中实时用物理规律修正中间解,确保最终结果满足约束。
  • 在含间断和激波的PDE问题上,既满足物理约束又优于基线方法。
  • 适用于科学仿真等需严格遵守物理规律的场景,可直接用于预训练模型。

深度生成模型已应用于由偏微分方程(PDE)描述的物理系统,实现高效模拟与不确定性推理。然而,如何强制执行物理约束(如守恒律和物理一致性)仍是难题。现有方法依赖软惩罚或结构偏置,无法保证硬约束。本文提出物理约束流匹配(PCFM),一种零样本推理框架,可在预训练流模型中强制任意非线性约束。PCFM通过在采样过程中对中间解施加基于物理的修正,持续引导生成过程,同时保持与学习到的流一致,并确保最终解精确满足物理约束。实验证明,PCFM在多种含激波、不连续性和尖锐特征的PDE问题上,均优于无约束及受约束基线方法,且完全满足约束条件。该方法为科学与通用生成模型中的硬约束提供灵活解决方案,尤其适用于约束至关重要的应用。

原文摘要 · Abstract (English)

Deep generative models have recently been applied to physical systems governed by partial differential equations (PDEs), offering scalable simulation and uncertainty-aware inference. However, enforcing physical constraints, such as conservation laws (linear and nonlinear) and physical consistencies, remains challenging. Existing methods often rely on soft penalties or architectural biases that fail to guarantee hard constraints. In this work, we propose Physics-Constrained Flow Matching (PCFM), a zero-shot inference framework that enforces arbitrary nonlinear constraints in pretrained flow-based generative models. PCFM continuously guides the sampling process through physics-based corrections applied to intermediate solution states, while remaining aligned with the learned flow and satisfying physical constraints. Empirically, PCFM outperforms both unconstrained and constrained baselines on a range of PDEs, including those with shocks, discontinuities, and sharp features, while ensuring exact constraint satisfaction at the final solution. Our method provides a flexible framework for enforcing hard constraints in both scientific and general-purpose generative models, especially in applications where constraint satisfaction is essential.

生成模型物理约束偏微分方程流匹配

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