无需梯度计算即可让生成模型严格满足物理约束,适合科学建模场景。
Gradient-Free Generation for Hard-Constrained Systems
- 通过交替执行外推-修正-插值三阶段,在采样中直接融入约束信息。
- 在多个PDE系统上实现零样本约束满足,生成结果精确符合物理规律。
- 适用于需严格遵守约束的科研与工程生成任务,无需微调或额外训练。
在众多科学与工程应用中,满足硬性约束的生成模型至关重要,必须严格遵守物理定律或系统要求。现有许多受限生成模型,尤其是计算机视觉领域的方法,严重依赖梯度信息,但在部分领域(如偏微分方程)中梯度稀疏或计算成本高昂。本文提出一种新框架ECI采样,可零样本地将预训练的无约束流匹配模型适配为严格满足约束的生成器,无需昂贵梯度计算或微调。该框架在流匹配采样每一步中交替进行外推(E)、修正(C)和插值(I),确保约束信息被准确整合同时保持生成有效性。我们在多个PDE系统上验证了该方法的有效性,结果显示ECI引导生成能严格遵守物理约束,并准确捕捉由约束引起的复杂分布变化。实证表明,该框架在多种零样本受限生成任务中持续优于基线方法,且在回归任务中也取得具有竞争力的结果,无需额外微调。
原文摘要 · Abstract (English)
Generative models that satisfy hard constraints are critical in many scientific and engineering applications, where physical laws or system requirements must be strictly respected. Many existing constrained generative models, especially those developed for computer vision, rely heavily on gradient information, which is often sparse or computationally expensive in some fields, e.g., partial differential equations (PDEs). In this work, we introduce a novel framework for adapting pre-trained, unconstrained flow-matching models to satisfy constraints exactly in a zero-shot manner without requiring expensive gradient computations or fine-tuning. Our framework, ECI sampling, alternates between extrapolation (E), correction (C), and interpolation (I) stages during each iterative sampling step of flow matching sampling to ensure accurate integration of constraint information while preserving the validity of the generation. We demonstrate the effectiveness of our approach across various PDE systems, showing that ECI-guided generation strictly adheres to physical constraints and accurately captures complex distribution shifts induced by these constraints. Empirical results demonstrate that our framework consistently outperforms baseline approaches in various zero-shot constrained generation tasks and also achieves competitive results in the regression tasks without additional fine-tuning.
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