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1. Robust Optimal Transport with Applications in Generative Modeling and Domain Adaptation

   Balaji, Yogesh ; Chellappa, Rama ; Feizi, Soheil ( January 2020 , Advances in Neural Information Processing Systems Foundation (NeurIPS))

   null (Ed.)

   Optimal Transport (OT) distances such as Wasserstein have been used in several areas such as GANs and domain adaptation. OT, however, is very sensitive to outliers (samples with large noise) in the data since in its objective function, every sample, including outliers, is weighed similarly due to the marginal constraints. To remedy this issue, robust formulations of OT with unbalanced marginal constraints have previously been proposed. However, employing these methods in deep learning problems such as GANs and domain adaptation is challenging due to the instability of their dual optimization solvers. In this paper, we resolve these issues by deriving a computationally-efficient dual form of the robust OT optimization that is amenable to modern deep learning applications. We demonstrate the effectiveness of our formulation in two applications of GANs and domain adaptation. Our approach can train state-of-the-art GAN models on noisy datasets corrupted with outlier distributions. In particular, our optimization computes weights for training samples reflecting how difficult it is for those samples to be generated in the model. In domain adaptation, our robust OT formulation leads to improved accuracy compared to the standard adversarial adaptation methods. 

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2. Improving Approximate Optimal Transport Distances using Quantization

   Beugnot, Gaspard ; Genevay, Aude ; Greenewald, Kristjan ; Solomon, Justin ( July 2021 , Uncertainty in Artificial Intelligence)

   Optimal transport (OT) is a popular tool in machine learning to compare probability measures geometrically, but it comes with substantial computational burden. Linear programming algorithms for computing OT distances scale cubically in the size of the input, making OT impractical in the large-sample regime. We introduce a practical algorithm, which relies on a quantization step, to estimate OT distances between measures given cheap sample access. We also provide a variant of our algorithm to improve the performance of approximate solvers, focusing on those for entropy-regularized transport. We give theoretical guarantees on the benefits of this quantization step and display experiments showing that it behaves well in practice, providing a practical approximation algorithm that can be used as a drop-in replacement for existing OT estimators. 

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3. PARROT: Position-Aware Regularized Optimal Transport for Network Alignment

   https://doi.org/10.1145/3543507.3583357  

   Zeng, Zhichen ; Zhang, Si ; Xia, Yinglong ; Tong, Hanghang ( April 2023 , WWW '23: Proceedings of the ACM Web Conference 2023)

   Network alignment is a critical steppingstone behind a variety of multi-network mining tasks. Most of the existing methods essentially optimize a Frobenius-like distance or ranking-based loss, ignoring the underlying geometry of graph data. Optimal transport (OT), together with Wasserstein distance, has emerged to be a powerful approach accounting for the underlying geometry explicitly. Promising as it might be, the state-of-the-art OT-based alignment methods suffer from two fundamental limitations, including (1) effectiveness due to the insufficient use of topology and consistency information and (2) scalability due to the non-convex formulation and repeated computationally costly loss calculation. In this paper, we propose a position-aware regularized optimal transport framework for network alignment named PARROT. To tackle the effectiveness issue, the proposed PARROT captures topology information by random walk with restart, with three carefully designed consistency regularization terms. To tackle the scalability issue, the regularized OT problem is decomposed into a series of convex subproblems and can be efficiently solved by the proposed constrained proximal point method with guaranteed convergence. Extensive experiments show that our algorithm achieves significant improvements in both effectiveness and scalability, outperforming the state-of-the-art network alignment methods and speeding up existing OT-based methods by up to 100 times. 

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4. Hierarchical Optimal Transport for Multimodal Distribution Alignment

   Lee, John ; Dabagia, Max ; Dyer, Eva L. ; Rozell, Chris ( January 2019 , Advances in neural information processing systems)

   null (Ed.)

   In many machine learning applications, it is necessary to meaningfully aggregate, through alignment, different but related datasets. Optimal transport (OT)-based approaches pose alignment as a divergence minimization problem: the aim is to transform a source dataset to match a target dataset using the Wasserstein distance as a divergence measure. We introduce a hierarchical formulation of OT which leverages clustered structure in data to improve alignment in noisy, ambiguous, or multimodal settings. To solve this numerically, we propose a distributed ADMM algorithm that also exploits the Sinkhorn distance, thus it has an efficient computational complexity that scales quadratically with the size of the largest cluster. When the transformation between two datasets is unitary, we provide performance guarantees that describe when and how well aligned cluster correspondences can be recovered with our formulation, as well as provide worst-case dataset geometry for such a strategy. We apply this method to synthetic datasets that model data as mixtures of low-rank Gaussians and study the impact that different geometric properties of the data have on alignment. Next, we applied our approach to a neural decoding application where the goal is to predict movement directions and instantaneous velocities from populations of neurons in the macaque primary motor cortex. Our results demonstrate that when clustered structure exists in datasets, and is consistent across trials or time points, a hierarchical alignment strategy that leverages such structure can provide significant improvements in cross-domain alignment. 

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5. Statistical inference with regularized optimal transport

   https://doi.org/10.1093/imaiai/iaad056  

   Goldfeld, Ziv ; Kato, Kengo ; Rioux, Gabriel ; Sadhu, Ritwik ( February 2024 , Information and Inference: A Journal of the IMA)

   Optimal transport (OT) is a versatile framework for comparing probability measures, with many applications to statistics, machine learning and applied mathematics. However, OT distances suffer from computational and statistical scalability issues to high dimensions, which motivated the study of regularized OT methods like slicing, smoothing and entropic penalty. This work establishes a unified framework for deriving limit distributions of empirical regularized OT distances, semiparametric efficiency of the plug-in empirical estimator and bootstrap consistency. We apply the unified framework to provide a comprehensive statistical treatment of (i) average- and max-sliced $p$-Wasserstein distances, for which several gaps in existing literature are closed; (ii) smooth distances with compactly supported kernels, the analysis of which is motivated by computational considerations; and (iii) entropic OT, for which our method generalizes existing limit distribution results and establishes, for the first time, efficiency and bootstrap consistency. While our focus is on these three regularized OT distances as applications, the flexibility of the proposed framework renders it applicable to broad classes of functionals beyond these examples.

    

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