Neural Estimation for Scaling Entropic Multimarginal Optimal Transport

원문 초록

Multimarginal optimal transport (MOT) is a powerful framework for modeling interactions between multiple distributions, yet its applicability is bottlenecked by a high computational overhead. Entropic regularization provides computational speedups via the multimarginal Sinkhorn algorithm, whose time complexity, for a dataset size $n$ and $k$ marginals, generally scales as $O(n^k)$. However, this dependence on the dataset size $n$ is computationally prohibitive for many machine learning problems. In this work, we propose a new computational framework for entropic MOT, dubbed Neural Entropic MOT (NEMOT), that enjoys significantly improved scalability. NEMOT employs neural networks trained using mini-batches, which transfers the computational complexity from the dataset size to the size of the mini-batch, leading to substantial gains. We provide formal guarantees on the accuracy of NEMOT via non-asymptotic error bounds. We supplement these with numerical results that demonstrate the performance gains of NEMOT over Sinkhorn's algorithm, as well as extensions to neural computation of multimarginal entropic Gromov-Wasserstein alignment. In particular, orders-of-magnitude speedups are observed relative to the state-of-the-art, with a notable increase in the feasible number of samples and marginals. NEMOT seamlessly integrates as a module in large-scale machine learning pipelines, and can serve to expand the practical applicability of entropic MOT for tasks involving multimarginal data.