使用弦方法探究扩散模型的几何结构 / Probing the Geometry of Diffusion Models with the String Method
1️⃣ 一句话总结
这篇论文引入了一种基于弦方法的新框架,能够在不重新训练模型的情况下,为扩散模型计算出连接不同样本的连续、高概率路径,从而揭示其学习到的复杂数据分布的几何结构,并在图像生成和蛋白质结构预测中验证了其有效性。
Understanding the geometry of learned distributions is fundamental to improving and interpreting diffusion models, yet systematic tools for exploring their landscape remain limited. Standard latent-space interpolations fail to respect the structure of the learned distribution, often traversing low-density regions. We introduce a framework based on the string method that computes continuous paths between samples by evolving curves under the learned score function. Operating on pretrained models without retraining, our approach interpolates between three regimes: pure generative transport, which yields continuous sample paths; gradient-dominated dynamics, which recover minimum energy paths (MEPs); and finite-temperature string dynamics, which compute principal curves -- self-consistent paths that balance energy and entropy. We demonstrate that the choice of regime matters in practice. For image diffusion models, MEPs contain high-likelihood but unrealistic ''cartoon'' images, confirming prior observations that likelihood maxima appear unrealistic; principal curves instead yield realistic morphing sequences despite lower likelihood. For protein structure prediction, our method computes transition pathways between metastable conformers directly from models trained on static structures, yielding paths with physically plausible intermediates. Together, these results establish the string method as a principled tool for probing the modal structure of diffusion models -- identifying modes, characterizing barriers, and mapping connectivity in complex learned distributions.
使用弦方法探究扩散模型的几何结构 / Probing the Geometry of Diffusion Models with the String Method
这篇论文引入了一种基于弦方法的新框架,能够在不重新训练模型的情况下,为扩散模型计算出连接不同样本的连续、高概率路径,从而揭示其学习到的复杂数据分布的几何结构,并在图像生成和蛋白质结构预测中验证了其有效性。
源自 arXiv: 2602.22122