arXiv:2609.06598cs.LGcs.AI2026-09

提出BROT方法,用深度网络精准估计最优传输映射。

Deep Barycentric Regression for Optimal Transport Map Estimation and its Statistical Optimality

论文配图:Deep Barycentric Regression for Optimal Transport Map Estimation and its Statistical Optimality
图 1 · 摘自论文原文
  • 先算无正则化最优传输计划,再用深度网络拟合其重心目标。
  • 在真值映射为Lipschitz条件下,达到极小极大最优收敛率。
  • 适合需要高精度传输映射的下游任务,如单细胞预测与域自适应。

最优传输(OT)映射能几何地对齐概率分布,在机器学习中日益重要。然而现有估计器在理论严格性和实际可训练性之间存在差距:理论方法虽达极小极大最优率,但多为非参数且实现复杂;实用方法为参数化且可扩展,但统计性质不明确,且对抗式训练对优化算法敏感。本文提出BROT(Barycentric Regression for OT),一种两步法:先计算无正则化的OT计划,再通过最小二乘回归拟合由该计划诱导的重心目标。在标准正则性条件下,证明当真实OT映射为Lipschitz时,所提深度神经网络估计器能达到极小极大最优收敛率。合成数据集与图像数据集上的数值实验表明,BROT在映射估计精度、目标分布匹配度和运输成本上均表现优异,优于现有方法。在单细胞扰动预测与无监督域自适应两个下游任务中的实验进一步验证,其精确估计可带来更强的任务性能。

原文摘要 · Abstract (English)

The optimal transport (OT) map provides a geometric transformation for aligning probability distributions and has become a useful tool in machine learning. However, existing estimators of the OT map still exhibit a gap between sharp statistical guarantees and practical parametric estimation based on stable training objectives. Theoretical estimators achieve minimax optimal convergence rates, but they are typically nonparametric and can incur demanding implementation design or inference costs. Practical estimators are parametric and scalable, but their statistical guarantees remain underexplored, and their min-max, adversarial-like training objectives can be sensitive to optimization algorithms. We propose BROT (Barycentric Regression for OT), a simple two-step method that first computes the unregularized OT plan and then fits a deep neural network (DNN) to the induced barycentric targets by least-squares regression. Under standard regularity conditions, we prove that the DNN estimator of BROT attains the minimax convergence rate, when the ground-truth OT map is Lipschitz. Numerical studies on synthetic datasets and an image dataset show that BROT provides accurate map estimates, strong target distribution matching, and competitive transport costs, compared to existing estimation methods. Experiments on two downstream tasks, single-cell perturbation prediction and unsupervised domain adaptation, further suggest that the accurate estimation of BROT can translate into stronger task performance.

最优传输深度回归统计最优

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