Training-Free Constrained Generation With Stable Diffusion Models

Stable diffusion models represent the state-of-the-art in data synthesis across diverse domains and hold transformative potential for applications in science and engineering, e.g., by facilitating the discovery of novel solutions and simulating systems that are computationally intractable to model explicitly. However, their current utility in these fields is severely limited by an inability to enforce strict adherence to physical laws and domain-specific constraints. Without this grounding, the deployment of such models in critical applications, ranging from material science to safety-critical systems, remains impractical. This paper addresses this fundamental limitation by proposing a novel approach to integrate stable diffusion models with constrained optimization frameworks, enabling them to generate outputs that satisfy stringent physical and functional requirements. We demonstrate the effectiveness of this approach through material science experiments requiring adherence to precise morphometric properties, inverse design problems involving the generation of stress-strain responses using video generation with a simulator in the loop, and safety settings where outputs must avoid copyright infringement.