提出新算法FRLC,用低秩因子解耦提升大样本最优传输效率
Low-Rank Optimal Transport through Factor Relaxation with Latent Coupling
- 基于潜在耦合因子分解,将复杂问题拆成三个独立运输任务
- 线性空间复杂度下处理多种目标与约束,速度远超传统方法
- 在图聚类和空间转录组中表现优异,结果可解释性强
最优传输(OT)是寻找概率分布间最小代价传输方案的通用框架,在机器学习中有广泛应用。其主要挑战在于耦合矩阵规模随数据量呈二次增长。[Forrow et al. 2019] 提出用于k-Wasserstein均值的因子耦合,[Scetbon et al. 2021] 将其扩展至低秩OT求解。本文基于 [Lin et al. 2021] 提出的潜在耦合(LC)因子分解,推导出一种新的低秩问题参数化方法,该方法可将问题解耦为三个独立的OT问题,具有更强灵活性与可解释性。我们据此提出新算法‘因子松弛-潜在耦合’(FRLC),采用坐标镜面下降优化LC因子分解。FRLC 能统一处理Wasserstein、Gromov-Wasserstein、融合式Gromov-Wasserstein等多类目标,以及平衡、非平衡和半松弛的边际约束,仅需线性空间复杂度。理论分析证明其有效性,并在图聚类与空间转录组等多样应用中展现优越性能,同时具备良好可解释性。
原文摘要 · Abstract (English)
Optimal transport (OT) is a general framework for finding a minimum-cost transport plan, or coupling, between probability distributions, and has many applications in machine learning. A key challenge in applying OT to massive datasets is the quadratic scaling of the coupling matrix with the size of the dataset. [Forrow et al. 2019] introduced a factored coupling for the k-Wasserstein barycenter problem, which [Scetbon et al. 2021] adapted to solve the primal low-rank OT problem. We derive an alternative parameterization of the low-rank problem based on the $\textit{latent coupling}$ (LC) factorization previously introduced by [Lin et al. 2021] generalizing [Forrow et al. 2019]. The LC factorization has multiple advantages for low-rank OT including decoupling the problem into three OT problems and greater flexibility and interpretability. We leverage these advantages to derive a new algorithm $\textit{Factor Relaxation with Latent Coupling}$ (FRLC), which uses $\textit{coordinate}$ mirror descent to compute the LC factorization. FRLC handles multiple OT objectives (Wasserstein, Gromov-Wasserstein, Fused Gromov-Wasserstein), and marginal constraints (balanced, unbalanced, and semi-relaxed) with linear space complexity. We provide theoretical results on FRLC, and demonstrate superior performance on diverse applications -- including graph clustering and spatial transcriptomics -- while demonstrating its interpretability.
Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。