DiOpt: Self-supervised Diffusion for Constrained Optimization

Recent advances in diffusion models show promising potential for learning-based optimization by leveraging their multimodal sampling capability to escape local optima. However, existing diffusion-based optimization approaches, often reliant on supervised training, lacks a mechanism to ensure strict constraint satisfaction which is often required in real-world applications. One resulting observation is the distributional misalignment, i.e. the generated solution distribution often exhibits small overlap with the feasible domain. In this paper, we propose DiOpt, a novel diffusion paradigm that systematically learns near-optimal feasible solution distributions through iterative self-training. Our framework introduces several key innovations: a target distribution specifically designed to maximize overlap with the constrained solution manifold; a bootstrapped self-training mechanism that adaptively weights candidate solutions based on the severity of constraint violations and optimality gaps; and a dynamic memory buffer that accelerates convergence by retaining high-quality solutions over training iterations. To our knowledge, DiOpt represents the first successful integration of self-supervised diffusion with hard constraint satisfaction. Evaluations on diverse tasks, including power grid control, motion retargeting, wireless allocation demonstrate its superiority in terms of both optimality and constraint satisfaction.