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Rates of Estimation of Optimal Transport Maps using Plug-in Estimators via Barycentric Projections

Neural Information Processing Systems

Optimal transport maps between two probability distributions $\mu$ and $\nu$ on $\R^d$ have found extensive applications in both machine learning and statistics. In practice, these maps need to be estimated from data sampled according to $\mu$ and $\nu$. Plug-in estimators are perhaps most popular in estimating transport maps in the field of computational optimal transport. In this paper, we provide a comprehensive analysis of the rates of convergences for general plug-in estimators defined via barycentric projections. Our main contribution is a new stability estimate for barycentric projections which proceeds under minimal smoothness assumptions and can be used to analyze general plug-in estimators. We illustrate the usefulness of this stability estimate by first providing rates of convergence for the natural discrete-discrete and semi-discrete estimators of optimal transport maps.


Do Neural Optimal Transport Solvers Work? A Continuous Wasserstein-2 Benchmark

Neural Information Processing Systems

Despite the recent popularity of neural network-based solvers for optimal transport (OT), there is no standard quantitative way to evaluate their performance. In this paper, we address this issue for quadratic-cost transport---specifically, computation of the Wasserstein-2 distance, a commonly-used formulation of optimal transport in machine learning. To overcome the challenge of computing ground truth transport maps between continuous measures needed to assess these solvers, we use input-convex neural networks (ICNN) to construct pairs of measures whose ground truth OT maps can be obtained analytically. This strategy yields pairs of continuous benchmark measures in high-dimensional spaces such as spaces of images. We thoroughly evaluate existing optimal transport solvers using these benchmark measures. Even though these solvers perform well in downstream tasks, many do not faithfully recover optimal transport maps. To investigate the cause of this discrepancy, we further test the solvers in a setting of image generation. Our study reveals crucial limitations of existing solvers and shows that increased OT accuracy does not necessarily correlate to better results downstream.


Greedy inference with structure-exploiting lazy maps

Neural Information Processing Systems

We propose a framework for solving high-dimensional Bayesian inference problems using \emph{structure-exploiting} low-dimensional transport maps or flows. These maps are confined to a low-dimensional subspace (hence, lazy), and the subspace is identified by minimizing an upper bound on the Kullback--Leibler divergence (hence, structured). Our framework provides a principled way of identifying and exploiting low-dimensional structure in an inference problem. It focuses the expressiveness of a transport map along the directions of most significant discrepancy from the posterior, and can be used to build deep compositions of lazy maps, where low-dimensional projections of the parameters are iteratively transformed to match the posterior. We prove weak convergence of the generated sequence of distributions to the posterior, and we demonstrate the benefits of the framework on challenging inference problems in machine learning and differential equations, using inverse autoregressive flows and polynomial maps as examples of the underlying density estimators.


Generative Bayesian Hyperparameter Tuning

Lopes, Hedibert, Polson, Nick, Sokolov, Vadim

arXiv.org Machine Learning

\noindent Hyper-parameter selection is a central practical problem in modern machine learning, governing regularization strength, model capacity, and robustness choices. Cross-validation is often computationally prohibitive at scale, while fully Bayesian hyper-parameter learning can be difficult due to the cost of posterior sampling. We develop a generative perspective on hyper-parameter tuning that combines two ideas: (i) optimization-based approximations to Bayesian posteriors via randomized, weighted objectives (weighted Bayesian bootstrap), and (ii) amortization of repeated optimization across many hyper-parameter settings by learning a transport map from hyper-parameters (including random weights) to the corresponding optimizer. This yields a ``generator look-up table'' for estimators, enabling rapid evaluation over grids or continuous ranges of hyper-parameters and supporting both predictive tuning objectives and approximate Bayesian uncertainty quantification. We connect this viewpoint to weighted $M$-estimation, envelope/auxiliary-variable representations that reduce non-quadratic losses to weighted least squares, and recent generative samplers for weighted $M$-estimators.