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 optimal transport cost


Lower Bounds on Adversarial Robustness from Optimal Transport

Neural Information Processing Systems

While progress has been made in understanding the robustness of machine learning classifiers to test-time adversaries (evasion attacks), fundamental questions remain unresolved. In this paper, we use optimal transport to characterize the minimum possible loss in an adversarial classification scenario. In this setting, an adversary receives a random labeled example from one of two classes, perturbs the example subject to a neighborhood constraint, and presents the modified example to the classifier. We define an appropriate cost function such that the minimum transportation cost between the distributions of the two classes determines the minimum 0 1 loss for any classifier. When the classifier comes from a restricted hypothesis class, the optimal transportation cost provides a lower bound. We apply our framework to the case of Gaussian data with norm-bounded adversaries and explicitly show matching bounds for the classification and transport problems as well as the optimality of linear classifiers. We also characterize the sample complexity of learning in this setting, deriving and extending previously known results as a special case. Finally, we use our framework to study the gap between the optimal classification performance possible and that currently achieved by state-of-the-art robustly trained neural networks for datasets of interest, namely, MNIST, Fashion MNIST and CIFAR-10.



Measuring Generalization with Optimal Transport

Neural Information Processing Systems

Understanding the generalization of deep neural networks is one of the most important tasks in deep learning. Although much progress has been made, theoretical error bounds still often behave disparately from empirical observations. In this work, we develop margin-based generalization bounds, where the margins are normalized with optimal transport costs between independent random subsets sampled from the training distribution. In particular, the optimal transport cost can be interpreted as a generalization of variance which captures the structural properties of the learned feature space. Our bounds robustly predict the generalization error, given training data and network parameters, on large scale datasets. Theoretically, we demonstrate that the concentration and separation of features play crucial roles in generalization, supporting empirical results in the literature.


Wasserstein GAN-Based Precipitation Downscaling with Optimal Transport for Enhancing Perceptual Realism

arXiv.org Artificial Intelligence

High-resolution (HR) precipitation prediction is essential for reducing damage from stationary and localized heavy rainfall; however, HR precipitation forecasts using process-driven numerical weather prediction models remains challenging. This study proposes using Wasserstein Generative Adversarial Network (WGAN) to perform precipitation downscaling with an optimal transport cost. In contrast to a conventional neural network trained with mean squared error, the WGAN generated visually realistic precipitation fields with fine-scale structures even though the WGAN exhibited slightly lower performance on conventional evaluation metrics. The learned critic of WGAN correlated well with human perceptual realism. Case-based analysis revealed that large discrepancies in critic scores can help identify both unrealistic WGAN outputs and potential artifacts in the reference data. These findings suggest that the WGAN framework not only improves perceptual realism in precipitation downscaling but also offers a new perspective for evaluating and quality-controlling precipitation datasets.


Proximal optimal transport divergences

arXiv.org Machine Learning

We introduce proximal optimal transport divergence, a novel discrepancy measure that interpolates between information divergences and optimal transport distances via an infimal convolution formulation. This divergence provides a principled foundation for optimal transport proximals and proximal optimization methods frequently used in generative modeling. We explore its mathematical properties, including smoothness, boundedness, and computational tractability, and establish connections to primal-dual formulation and adversarial learning. Building on the Benamou-Brenier dynamic formulation of optimal transport cost, we also establish a dynamic formulation for proximal OT divergences. The resulting dynamic formulation is a first order mean-field game whose optimality conditions are governed by a pair of nonlinear partial differential equations, a backward Hamilton-Jacobi and a forward continuity partial differential equations.


Measuring Generalization with Optimal Transport

Neural Information Processing Systems

Understanding the generalization of deep neural networks is one of the most important tasks in deep learning. Although much progress has been made, theoretical error bounds still often behave disparately from empirical observations. In this work, we develop margin-based generalization bounds, where the margins are normalized with optimal transport costs between independent random subsets sampled from the training distribution. In particular, the optimal transport cost can be interpreted as a generalization of variance which captures the structural properties of the learned feature space. Our bounds robustly predict the generalization error, given training data and network parameters, on large scale datasets.


Unlocking Slot Attention by Changing Optimal Transport Costs

arXiv.org Artificial Intelligence

Slot attention is a powerful method for object-centric modeling in images and videos. However, its set-equivariance limits its ability to handle videos with a dynamic number of objects because it cannot break ties. To overcome this limitation, we first establish a connection between slot attention and optimal transport. Based on this new perspective we propose MESH (Minimize Entropy of Sinkhorn): a cross-attention module that combines the tiebreaking properties of unregularized optimal transport with the speed of regularized optimal transport. We evaluate slot attention using MESH on multiple object-centric learning benchmarks and find significant improvements over slot attention in every setting.


Estimation of Stationary Optimal Transport Plans

arXiv.org Machine Learning

We study optimal transport problems in which finite-valued quantities of interest evolve dynamically over time in a stationary fashion. Mathematically, this is a special case of the general optimal transport problem in which the distributions under study represent stationary processes and the cost depends on a finite number of time points. In this setting, we argue that one should restrict attention to stationary couplings, also known as joinings, which have close connections with long run average cost. We introduce estimators of both optimal joinings and the optimal joining cost, and we establish their consistency under mild conditions. Under stronger mixing assumptions we establish finite-sample error rates for the same estimators that extend the best known results in the iid case. Finally, we extend the consistency and rate analysis to an entropy-penalized version of the optimal joining problem.


On the Existence of Optimal Transport Gradient for Learning Generative Models

arXiv.org Machine Learning

The use of optimal transport cost for learning generative models has become popular with Wasserstein Generative Adversarial Networks (WGAN). Training of WGAN relies on a theoretical background: the calculation of the gradient of the optimal transport cost with respect to the generative model parameters. We first demonstrate that such gradient may not be defined, which can result in numerical instabilities during gradient-based optimization. We address this issue by stating a valid differentiation theorem in the case of entropic regularized transport and specify conditions under which existence is ensured. By exploiting the discrete nature of empirical data, we formulate the gradient in a semi-discrete setting and propose an algorithm for the optimization of the generative model parameters. Finally, we illustrate numerically the advantage of the proposed framework.


Regression via Implicit Models and Optimal Transport Cost Minimization

arXiv.org Machine Learning

This paper addresses the classic problem of regression, which involves the inductive learning of a map, $y=f(x,z)$, $z$ denoting noise, $f:\mathbb{R}^n\times \mathbb{R}^k \rightarrow \mathbb{R}^m$. Recently, Conditional GAN (CGAN) has been applied for regression and has shown to be advantageous over the other standard approaches like Gaussian Process Regression, given its ability to implicitly model complex noise forms. However, the current CGAN implementation for regression uses the classical generator-discriminator architecture with the minimax optimization approach, which is notorious for being difficult to train due to issues like training instability or failure to converge. In this paper, we take another step towards regression models that implicitly model the noise, and propose a solution which directly optimizes the optimal transport cost between the true probability distribution $p(y|x)$ and the estimated distribution $\hat{p}(y|x)$ and does not suffer from the issues associated with the minimax approach. On a variety of synthetic and real-world datasets, our proposed solution achieves state-of-the-art results. The code accompanying this paper is available at "https://github.com/gurdaspuriya/ot_regression".