skip to main content


Title: Outlier-Robust Optimal Transport
Optimal transport (OT) measures distances between distributions in a way that depends on the geometry of the sample space. In light of recent advances in computational OT, OT distances are widely used as loss functions in machine learning. Despite their prevalence and advantages, OT loss functions can be extremely sensitive to outliers. In fact, a single adversarially-picked outlier can increase the standard W2-distance arbitrarily. To address this issue, we propose an outlier-robust formulation of OT. Our formulation is convex but challenging to scale at a first glance. Our main contribution is deriving an \emph{equivalent} formulation based on cost truncation that is easy to incorporate into modern algorithms for computational OT. We demonstrate the benefits of our formulation in mean estimation problems under the Huber contamination model in simulations and outlier detection tasks on real data.  more » « less
Award ID(s):
1838071
NSF-PAR ID:
10310382
Author(s) / Creator(s):
; ; ; ;
Date Published:
Journal Name:
International Conference on Machine Learning
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. 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. 
    more » « less
  2. 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. 
    more » « less
  3. 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. 
    more » « less
  4. 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. 
    more » « less
  5. The Gromov-Wasserstein (GW) formalism can be seen as a generalization of the optimal transport (OT) formalism for comparing two distributions associated with different metric spaces. It is a quadratic optimization problem and solving it usually has computational costs that can rise sharply if the problem size exceeds a few hundred points. Recently fast techniques based on entropy regularization have being developed to solve an approximation of the GW problem quickly. There are issues, however, with the numerical convergence of those regularized approximations to the true GW solution. To circumvent those issues, we introduce a novel strategy to solve the discrete GW problem using methods taken from statistical physics. We build a temperature-dependent free energy function that reflects the GW problem’s constraints. To account for possible differences of scales between the two metric spaces, we introduce a scaling factor s in the definition of the energy. From the extremum of the free energy, we derive a mapping between the two probability measures that are being compared, as well as a distance between those measures. This distance is equal to the GW distance when the temperature goes to zero. The optimal scaling factor itself is obtained by minimizing the free energy with respect to s. We illustrate our approach on the problem of comparing shapes defined by unstructured triangulations of their surfaces. We use several synthetic and “real life” datasets. We demonstrate the accuracy and automaticity of our approach in non-rigid registration of shapes. We provide numerical evidence that there is a strong correlation between the GW distances computed from low-resolution, surface-based representations of proteins and the analogous distances computed from atomistic models of the same proteins. 
    more » « less