Shi Yong, Zheng Lei, Quan Pei, Xiao Yang, Niu Lingfeng
School of Economics and Management, University of Chinese Academy of Sciences, Beijing, 100190, China; Research Center on Fictitious Economy and Data Science, Chinese Academy of Sciences, Beijing, 100190, China; Key Laboratory of Big Data Mining and Knowledge Management, Chinese Academy of Sciences, Beijing, 100190, China.
School of Mathematical Sciences, University of Chinese Academy of Sciences, Beijing, 100049, China; Research Center on Fictitious Economy and Data Science, Chinese Academy of Sciences, Beijing, 100190, China; Key Laboratory of Big Data Mining and Knowledge Management, Chinese Academy of Sciences, Beijing, 100190, China.
Neural Netw. 2025 Apr;184:107038. doi: 10.1016/j.neunet.2024.107038. Epub 2024 Dec 13.
Optimal transport (OT) is an effective tool for measuring discrepancies in probability distributions and histograms of features. To reduce its high computational complexity, entropy-regularized OT is proposed, which is computed through Sinkhorn algorithm and can be readily integrated into neural networks. However, each time the parameters of networks are updated, both the value and derivative of OT need to be calculated. When there is a relatively high demand for solving accuracy, the number of layers in the computation graph for Sinkhorn algorithm is fairly large, requiring plenty of time and memory. To address this problem, we propose a novel network strategy to estimate the transport matrix instead of Sinkhorn algorithm, which significantly reduces the computation graph size. Compared with other neural OT, our method is suitable for arbitrary cost functions and varying marginal distributions. To avoid numerical instability induced by a small regularization coefficient, we devise the new method in log domain with the dual form. We estimate the error bound of the resulting algorithm for approximate inputs in theory, and extend our approach to robust OT and barycenter computation in practice. Extensive experiments show that our method outperforms baselines on both required computation cost and accuracy significantly.
最优传输(OT)是一种用于衡量概率分布和特征直方图差异的有效工具。为了降低其高计算复杂度,人们提出了熵正则化OT,它通过Sinkhorn算法进行计算,并且可以很容易地集成到神经网络中。然而,每次更新网络参数时,都需要计算OT的值和导数。当对求解精度有较高要求时,Sinkhorn算法计算图中的层数相当多,需要大量的时间和内存。为了解决这个问题,我们提出了一种新颖的网络策略来估计传输矩阵,而不是使用Sinkhorn算法,这显著减小了计算图的大小。与其他神经OT相比,我们的方法适用于任意成本函数和变化的边际分布。为了避免由小正则化系数引起的数值不稳定,我们在对数域中使用对偶形式设计了新方法。我们在理论上估计了所得算法对于近似输入的误差界,并在实践中将我们的方法扩展到鲁棒OT和重心计算。大量实验表明,我们的方法在所需计算成本和精度方面均显著优于基线方法。