sw distance
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Bayesian Multiple Multivariate Density-Density Regression
Nguyen, Khai, Ni, Yang, Mueller, Peter
We propose the first approach for multiple multivariate density-density regression (MDDR), making it possible to consider the regression of a multivariate density-valued response on multiple multivariate density-valued predictors. The core idea is to define a fitted distribution using a sliced Wasserstein barycenter (SWB) of push-forwards of the predictors and to quantify deviations from the observed response using the sliced Wasserstein (SW) distance. Regression functions, which map predictors' supports to the response support, and barycenter weights are inferred within a generalized Bayes framework, enabling principled uncertainty quantification without requiring a fully specified likelihood. The inference process can be seen as an instance of an inverse SWB problem. We establish theoretical guarantees, including the stability of the SWB under perturbations of marginals and barycenter weights, sample complexity of the generalized likelihood, and posterior consistency. For practical inference, we introduce a differentiable approximation of the SWB and a smooth reparameterization to handle the simplex constraint on barycenter weights, allowing efficient gradient-based MCMC sampling. We demonstrate MDDR in an application to inference for population-scale single-cell data. Posterior analysis under the MDDR model in this example includes inference on communication between multiple source/sender cell types and a target/receiver cell type. The proposed approach provides accurate fits, reliable predictions, and interpretable posterior estimates of barycenter weights, which can be used to construct sparse cell-cell communication networks.
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Generalized Sliced Wasserstein Distances
The Wasserstein distance and its variations, e.g., the sliced-Wasserstein (SW) distance, have recently drawn attention from the machine learning community. The SW distance, specifically, was shown to have similar properties to the Wasserstein distance, while being much simpler to compute, and is therefore used in various applications including generative modeling and general supervised/unsupervised learning. In this paper, we first clarify the mathematical connection between the SW distance and the Radon transform. We then utilize the generalized Radon transform to define a new family of distances for probability measures, which we call generalized sliced-Wasserstein (GSW) distances. We further show that, similar to the SW distance, the GSW distance can be extended to a maximum GSW (max-GSW) distance. We then provide the conditions under which GSW and max-GSW distances are indeed proper metrics. Finally, we compare the numerical performance of the proposed distances on the generative modeling task of SW flows and report favorable results.
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Fast Estimation of Wasserstein Distances via Regression on Sliced Wasserstein Distances
Nguyen, Khai, Nguyen, Hai, Ho, Nhat
We address the problem of efficiently computing Wasserstein distances for multiple pairs of distributions drawn from a meta-distribution. To this end, we propose a fast estimation method based on regressing Wasserstein distance on sliced Wasserstein (SW) distances. Specifically, we leverage both standard SW distances, which provide lower bounds, and lifted SW distances, which provide upper bounds, as predictors of the true Wasserstein distance. To ensure parsimony, we introduce two linear models: an unconstrained model with a closed-form least-squares solution, and a constrained model that uses only half as many parameters. We show that accurate models can be learned from a small number of distribution pairs. Once estimated, the model can predict the Wasserstein distance for any pair of distributions via a linear combination of SW distances, making it highly efficient. Empirically, we validate our approach on diverse tasks, including Gaussian mixtures, point-cloud classification, and Wasserstein-space visualizations for 3D point clouds. Across various datasets such as MNIST point clouds, ShapeNetV2, MERFISH Cell Niches, and scRNA-seq, our method consistently provides a better approximation of Wasserstein distance than the state-of-the-art Wasserstein embedding model, Wasserstein Wormhole, particularly in low-data regimes. Finally, we demonstrate that our estimator can also accelerate Wormhole training, yielding \textit{RG-Wormhole}.
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Sliced-Wasserstein Distance-based Data Selection
Pallage, Julien, Lesage-Landry, Antoine
We propose a new unsupervised anomaly detection method based on the sliced-Wasserstein distance for training data selection in machine learning approaches. Our filtering technique is interesting for decision-making pipelines deploying machine learning models in critical sectors, e.g., power systems, as it offers a conservative data selection and an optimal transport interpretation. To ensure the scalability of our method, we provide two efficient approximations. The first approximation processes reduced-cardinality representations of the datasets concurrently. The second makes use of a computationally light Euclidian distance approximation. Additionally, we open the first dataset showcasing localized critical peak rebate demand response in a northern climate. We present the filtering patterns of our method on synthetic datasets and numerically benchmark our method for training data selection. Finally, we employ our method as part of a first forecasting benchmark for our open-source dataset.
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Generalized Sliced Wasserstein Distances
The Wasserstein distance and its variations, e.g., the sliced-Wasserstein (SW) distance, have recently drawn attention from the machine learning community. The SW distance, specifically, was shown to have similar properties to the Wasserstein distance, while being much simpler to compute, and is therefore used in various applications including generative modeling and general supervised/unsupervised learning. In this paper, we first clarify the mathematical connection between the SW distance and the Radon transform. We then utilize the generalized Radon transform to define a new family of distances for probability measures, which we call generalized sliced-Wasserstein (GSW) distances. We further show that, similar to the SW distance, the GSW distance can be extended to a maximum GSW (max-GSW) distance.
Sliced-Wasserstein Estimation with Spherical Harmonics as Control Variates
Leluc, Rémi, Dieuleveut, Aymeric, Portier, François, Segers, Johan, Zhuman, Aigerim
The Sliced-Wasserstein (SW) distance between probability measures is defined as the average of the Wasserstein distances resulting for the associated one-dimensional projections. As a consequence, the SW distance can be written as an integral with respect to the uniform measure on the sphere and the Monte Carlo framework can be employed for calculating the SW distance. Spherical harmonics are polynomials on the sphere that form an orthonormal basis of the set of square-integrable functions on the sphere. Putting these two facts together, a new Monte Carlo method, hereby referred to as Spherical Harmonics Control Variates (SHCV), is proposed for approximating the SW distance using spherical harmonics as control variates. The resulting approach is shown to have good theoretical properties, e.g., a no-error property for Gaussian measures under a certain form of linear dependency between the variables. Moreover, an improved rate of convergence, compared to Monte Carlo, is established for general measures. The convergence analysis relies on the Lipschitz property associated to the SW integrand. Several numerical experiments demonstrate the superior performance of SHCV against state-of-the-art methods for SW distance computation.
Energy-Based Sliced Wasserstein Distance
The sliced Wasserstein (SW) distance has been widely recognized as a statistically effective and computationally efficient metric between two probability measures. A key component of the SW distance is the slicing distribution. There are two existing approaches for choosing this distribution. The first approach is using a fixed prior distribution. The second approach is optimizing for the best distribution which belongs to a parametric family of distributions and can maximize the expected distance. However, both approaches have their limitations. A fixed prior distribution is non-informative in terms of highlighting projecting directions that can discriminate two general probability measures. Doing optimization for the best distribution is often expensive and unstable. Moreover, designing the parametric family of the candidate distribution could be easily misspecified. To address the issues, we propose to design the slicing distribution as an energy-based distribution that is parameter-free and has the density proportional to an energy function of the projected one-dimensional Wasserstein distance. We then derive a novel sliced Wasserstein metric, energy-based sliced Waserstein (EBSW) distance, and investigate its topological, statistical, and computational properties via importance sampling, sampling importance resampling, and Markov Chain methods. Finally, we conduct experiments on point-cloud gradient flow, color transfer, and point-cloud reconstruction to show the favorable performance of the EBSW.
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