arXiv:2509.21655cs.LGstat.ML2025-09被引 18

提出轻量级方法,让扩散模型推理时高效适配新分布。

DriftLite: Lightweight Drift Control for Inference-Time Scaling of Diffusion Models

  • 利用福克-普朗克方程中漂移与势能的自由度,实时调整采样路径。
  • 在多类任务中降低样本方差,生成质量优于传统引导和蒙特卡洛方法。
  • 无需训练,适合需快速适配的扩散模型应用,如蛋白质折叠。

我们研究扩散模型的推理时缩放问题,目标是在不重新训练的前提下,将预训练模型适配到新目标分布。现有基于引导的方法虽简单但引入偏差,而基于粒子的修正方法则存在权重退化和高计算开销问题。我们提出 DriftLite,一种轻量、免训练的基于粒子的方法,可在线提供最优稳定性控制以引导推理动态。DriftLite 利用福克-普朗克方程中漂移与粒子势能间未被探索的自由度,实现了两种实用变体:方差控制引导(VCG)和能量控制引导(ECG),以最小开销逼近最优漂移。在高斯混合模型、粒子系统及大规模蛋白质-配体共折叠问题上,DriftLite 均持续降低方差并提升样本质量,优于纯引导法和序列蒙特卡洛基线。这些结果揭示了可扩展推理时适应扩散模型的一种原理性、高效路径。代码已公开于 https://github.com/yinuoren/DriftLite。

原文摘要 · Abstract (English)

We study inference-time scaling for diffusion models, where the goal is to adapt a pre-trained model to new target distributions without retraining. Existing guidance-based methods are simple but introduce bias, while particle-based corrections suffer from weight degeneracy and high computational cost. We introduce DriftLite, a lightweight, training-free particle-based approach that steers the inference dynamics on the fly with provably optimal stability control. DriftLite exploits a previously unexplored degree of freedom in the Fokker-Planck equation between the drift and particle potential, and yields two practical instantiations: Variance- and Energy-Controlling Guidance (VCG/ECG) for approximating the optimal drift with minimal overhead. Across Gaussian mixture models, particle systems, and large-scale protein-ligand co-folding problems, DriftLite consistently reduces variance and improves sample quality over pure guidance and sequential Monte Carlo baselines. These results highlight a principled, efficient route toward scalable inference-time adaptation of diffusion models. Our source code is publicly available at https://github.com/yinuoren/DriftLite.

扩散模型推理优化粒子方法蛋白质折叠

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