arXiv:2505.06589stat.MLcs.AI2025-05被引 8

用最优传输统一机器学习中的分布比较与生成方法

Optimal Transport for Machine Learners

  • 以质量移动为视角,构建分布间距离的几何度量
  • 融合线性规划与Sinkhorn算法,实现高效计算
  • 适合研究生成模型、域自适应与注意力机制的学者

现代机器学习频繁处理概率测度:经验数据集、生成样本、隐含分布、类别条件分布、粒子系统、宽网络权重及注意力模式。最优传输(OT)在此场景中极具价值,因其通过质料如何转移来比较这些对象,兼具统计意义的差异度量与插值几何、对偶证书及变分动力学特性。这使得OT成为损失函数、生成建模、域自适应、鲁棒学习、巴氏中心、梯度流及学习算法均场描述的通用语言。本书面向机器学习应用,系统介绍主流OT技术:从有限分配与Monge映射出发,经由Kantorovich耦合与对偶势函数,再阐释使运输可计算的关键算法——线性规划、半离散单元、Sinkhorn缩放与低维投影。相同对象随后被重用于测度几何,引出Wasserstein距离、巴氏中心、梯度流、动态形式及高斯/Bures公式。最后章节聚焦现代机器学习中最相关的变体:发散与对抗损失、熵正则与非平衡松弛、鲁棒或谱几何、Gromov与量子扩展,以及基于运输的生成模型、均场网络与注意力动力学视角。目标是保持数学清晰,同时揭示推动OT成为机器学习实用工具所需的计算与几何直觉。

原文摘要 · Abstract (English)

Modern machine learning repeatedly manipulates probability measures: empirical datasets, generated samples, latent distributions, class-conditional laws, particle systems, weights of wide networks and attention patterns. Optimal transport is useful in this setting because it compares such objects by asking how mass should move. It therefore combines a statistically meaningful notion of discrepancy with a geometry of interpolation, dual certificates and variational dynamics. This makes OT a common language for losses, generative modeling, domain adaptation, robust learning, barycenters, gradient flows and mean-field descriptions of learning algorithms. This book presents the main OT techniques with these machine-learning uses in mind. It starts from finite assignment and the Monge map viewpoint, passes to Kantorovich couplings and dual potentials, and then explains the algorithmic ideas that make transport usable: linear programming, semi-discrete cells, Sinkhorn scaling and low-dimensional projections. The same objects are then reused as a geometry of measures, giving Wasserstein distances, barycenters, gradient flows, dynamic formulations and Gaussian/Bures formulas. The final chapters emphasize the variants most relevant to modern ML: divergences and adversarial losses, entropic and unbalanced relaxations, robust or spectral ground geometries, Gromov and quantum extensions, and transport-based views of generative models, mean-field networks and attention dynamics. The goal is to keep the mathematics explicit while exposing the computational and geometric intuitions needed to turn OT into a working toolbox for machine learners.

最优传输生成模型几何学习计算优化

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