提出高效约束扩散模型,实现非凸集合中生成样本的快速可行采样。
Efficient Diffusion Models under Nonconvex Equality and Inequality constraints via Landing

- 用高效着陆机制替代复杂投影,避免迭代求解和失败问题。
- 结合欠阻尼动力学加速采样,减少函数调用与内存占用。
- 在保持生成质量前提下显著降低计算成本,适合科学建模应用。
在涉及物理、几何或安全要求的科学与工程应用(如分子生成、机器人)中,约束集上的生成建模至关重要。本文提出一个统一框架,用于在任意非凸可行集Σ上构建约束扩散模型,可同时在扩散过程中满足等式与不等式约束。框架融合过阻尼与欠阻尼动力学以实现前向与后向采样。关键算法创新是计算高效的着陆机制,取代昂贵且常不明确的Σ上投影,确保可行性而无需迭代牛顿求解或面临投影失败。通过利用欠阻尼动力学,加速向先验分布的混合过程,有效缓解约束扩散通常伴随的高仿真开销。实验表明,该方法在训练与推理阶段均显著降低函数评估次数与内存使用,同时保持样本质量。在含等式与混合约束的基准测试中,生成质量媲美最先进基线,但计算成本大幅下降,为非凸可行集上的扩散模型提供了实用且可扩展的解决方案。
原文摘要 · Abstract (English)
Generative modeling within constrained sets is essential for scientific and engineering applications involving physical, geometric, or safety requirements (e.g., molecular generation, robotics). We present a unified framework for constrained diffusion models on generic nonconvex feasible sets $Σ$ that simultaneously enforces equality and inequality constraints throughout the diffusion process. Our framework incorporates both overdamped and underdamped dynamics for forward and backward sampling. A key algorithmic innovation is a computationally efficient landing mechanism that replaces costly and often ill-defined projections onto $Σ$, ensuring feasibility without iterative Newton solves or projection failures. By leveraging underdamped dynamics, we accelerate mixing toward the prior distribution, effectively alleviating the high simulation costs typically associated with constrained diffusion. Empirically, this approach reduces function evaluations and memory usage during both training and inference while preserving sample quality. On benchmarks featuring equality and mixed constraints, our method achieves comparable sample quality to state-of-the-art baselines while significantly reducing computational cost, providing a practical and scalable solution for diffusion on nonconvex feasible sets.
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