提出高效计算扩散弗雷歇信息的新方法,精度高且速度快。
Efficiently Access Diffusion Fisher: Within the Outer Product Span Space
- 利用得分与初始数据的外积空间结构,避免反向传播计算。
- 实现迹和矩阵-向量乘法的高效近似,误差有理论保证。
- 适用于需要精确弗雷歇信息的生成模型优化与验证任务。
近期扩散模型研究探索将二阶扩散弗雷歇信息(DF)——即对数密度的负海森矩阵——引入下游任务与理论分析。然而,现有方法通常通过自动微分对学习到的得分网络进行近似,该黑箱方法虽简单但缺乏精度保障且耗时。本文表明,扩散弗雷歇信息实际上位于得分与初始数据外积张成的空间中。基于此外积结构,我们提出了两种高效近似算法,分别用于计算DF的迹和矩阵-向量乘积。这些算法通过时间高效的向量积运算替代自动微分,显著降低计算成本。同时,我们建立了所提算法的近似误差界。在似然评估与伴随优化实验中,新方法表现出更高的精度与更低的计算开销。此外,基于新的外积形式,我们设计了首个针对通用PF-ODE推导映射最优传输性质的数值验证实验。
原文摘要 · Abstract (English)
Recent Diffusion models (DMs) advancements have explored incorporating the second-order diffusion Fisher information (DF), defined as the negative Hessian of log density, into various downstream tasks and theoretical analysis. However, current practices typically approximate the diffusion Fisher by applying auto-differentiation to the learned score network. This black-box method, though straightforward, lacks any accuracy guarantee and is time-consuming. In this paper, we show that the diffusion Fisher actually resides within a space spanned by the outer products of score and initial data. Based on the outer-product structure, we develop two efficient approximation algorithms to access the trace and matrix-vector multiplication of DF, respectively. These algorithms bypass the auto-differentiation operations with time-efficient vector-product calculations. Furthermore, we establish the approximation error bounds for the proposed algorithms. Experiments in likelihood evaluation and adjoint optimization demonstrate the superior accuracy and reduced computational cost of our proposed algorithms. Additionally, based on the novel outer-product formulation of DF, we design the first numerical verification experiment for the optimal transport property of the general PF-ODE deduced map.
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