Fused Gromov-Wasserstein Variance Decomposition with Linear Optimal Transport (2411.10204v1)

Abstract: Wasserstein distances form a family of metrics on spaces of probability measures that have recently seen many applications. However, statistical analysis in these spaces is complex due to the nonlinearity of Wasserstein spaces. One potential solution to this problem is Linear Optimal Transport (LOT). This method allows one to find a Euclidean embedding, called LOT embedding, of measures in some Wasserstein spaces, but some information is lost in this embedding. So, to understand whether statistical analysis relying on LOT embeddings can make valid inferences about original data, it is helpful to quantify how well these embeddings describe that data. To answer this question, we present a decomposition of the Fr\'echet variance of a set of measures in the 2-Wasserstein space, which allows one to compute the percentage of variance explained by LOT embeddings of those measures. We then extend this decomposition to the Fused Gromov-Wasserstein setting. We also present several experiments that explore the relationship between the dimension of the LOT embedding, the percentage of variance explained by the embedding, and the classification accuracy of machine learning classifiers built on the embedded data. We use the MNIST handwritten digits dataset, IMDB-50000 dataset, and Diffusion Tensor MRI images for these experiments. Our results illustrate the effectiveness of low dimensional LOT embeddings in terms of the percentage of variance explained and the classification accuracy of models built on the embedded data.