无需梯度即可实现高效低维降维,提升贝叶斯推断精度
Dimension reduction via score ratio matching
- 基于得分匹配学习数据得分比函数,绕过梯度需求
- 在有限数据下通过特征值消去法更准识别低维基向量
- 适用于无梯度场景,如物理方程约束反问题和生成建模
基于梯度的降维方法通过寻找数据与参数的高信息量低维投影,降低贝叶斯推断与概率建模成本,将高维问题转化为低维近似。这类方法依赖对数似然的梯度甚至海森矩阵来构造诊断矩阵并进行特征分解,但难以应用于纯数据驱动或模拟推断场景。本文提出一种基于得分匹配的新框架,直接学习计算诊断矩阵所需的得分比函数,设计专用网络参数化形式,并引入利用低维结构假设的正则化方法。同时提出一种新算法,基于特征值消去法在数据有限条件下迭代优化低维基向量。实验表明,该方法在具有低维结构的问题上优于标准得分匹配,在偏微分方程约束的贝叶斯反问题与条件生成建模任务中均表现优异。
原文摘要 · Abstract (English)
Gradient-based dimension reduction decreases the cost of Bayesian inference and probabilistic modeling by identifying maximally informative (and informed) low-dimensional projections of the data and parameters, allowing high-dimensional problems to be reformulated as cheaper low-dimensional problems. A broad family of such techniques identify these projections and provide error bounds on the resulting posterior approximations, via eigendecompositions of certain diagnostic matrices. Yet these matrices require gradients or even Hessians of the log-likelihood, excluding the purely data-driven setting and many problems of simulation-based inference. We propose a framework, derived from score-matching, to extend gradient-based dimension reduction to problems where gradients are unavailable. Specifically, we formulate an objective function to directly learn the score ratio function needed to compute the diagnostic matrices, propose a tailored parameterization for the score ratio network, and introduce regularization methods that capitalize on the hypothesized low-dimensional structure. We also introduce a novel algorithm to iteratively identify the low-dimensional reduced basis vectors more accurately with limited data based on eigenvalue deflation methods. We show that our approach outperforms standard score-matching for problems with low-dimensional structure, and demonstrate its effectiveness for PDE-constrained Bayesian inverse problems and conditional generative modeling.
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