wl distance
Learning over von Mises-Fisher Distributions via a Wasserstein-like Geometry
You, Kisung, Shung, Dennis, Giuffrè, Mauro
We introduce a novel, geometry-aware distance metric for the family of von Mises-Fisher (vMF) distributions, which are fundamental models for directional data on the unit hypersphere. Although the vMF distribution is widely employed in a variety of probabilistic learning tasks involving spherical data, principled tools for comparing vMF distributions remain limited, primarily due to the intractability of normalization constants and the absence of suitable geometric metrics. Motivated by the theory of optimal transport, we propose a Wasserstein-like distance that decomposes the discrepancy between two vMF distributions into two interpretable components: a geodesic term capturing the angular separation between mean directions, and a variance-like term quantifying differences in concentration parameters. The derivation leverages a Gaussian approximation in the high-concentration regime to yield a tractable, closed-form expression that respects the intrinsic spherical geometry. We show that the proposed distance exhibits desirable theoretical properties and induces a latent geometric structure on the space of non-degenerate vMF distributions. As a primary application, we develop the efficient algorithms for vMF mixture reduction, enabling structure-preserving compression of mixture models in high-dimensional settings. Empirical results on synthetic datasets and real-world high-dimensional embeddings, including biomedical sentence representations and deep visual features, demonstrate the effectiveness of the proposed geometry in distinguishing distributions and supporting interpretable inference. This work expands the statistical toolbox for directional data analysis by introducing a tractable, transport-inspired distance tailored to the geometry of the hypersphere.
The Weisfeiler-Lehman Distance: Reinterpretation and Connection with GNNs
Chen, Samantha, Lim, Sunhyuk, Mémoli, Facundo, Wan, Zhengchao, Wang, Yusu
In this paper, we present a novel interpretation of the so-called Weisfeiler-Lehman (WL) distance, introduced by Chen et al. (2022), using concepts from stochastic processes. The WL distance aims at comparing graphs with node features, has the same discriminative power as the classic Weisfeiler-Lehman graph isomorphism test and has deep connections to the Gromov-Wasserstein distance. This new interpretation connects the WL distance to the literature on distances for stochastic processes, which also makes the interpretation of the distance more accessible and intuitive. We further explore the connections between the WL distance and certain Message Passing Neural Networks, and discuss the implications of the WL distance for understanding the Lipschitz property and the universal approximation results for these networks.
Distances for Markov Chains, and Their Differentiation
Brugère, Tristan, Wan, Zhengchao, Wang, Yusu
(Directed) graphs with node attributes are a common type of data in various applications and there is a vast literature on developing metrics and efficient algorithms for comparing them. Recently, in the graph learning and optimization communities, a range of new approaches have been developed for comparing graphs with node attributes, leveraging ideas such as the Optimal Transport (OT) and the Weisfeiler-Lehman (WL) graph isomorphism test. Two state-of-the-art representatives are the OTC distance proposed by O'Connor et al., 2022 and the WL distance by Chen et al.,2022. Interestingly, while these two distances are developed based on different ideas, we observe that they both view graphs as Markov chains, and are deeply connected. Indeed, in this paper, we propose a unified framework to generate distances for Markov chains (thus including (directed) graphs with node attributes), which we call the Optimal Transport Markov (OTM) distances, that encompass both the OTC and the WL distances. We further introduce a special one-parameter family of distances within our OTM framework, called the discounted WL distance. We show that the discounted WL distance has nice theoretical properties and can address several limitations of the existing OTC and WL distances. Furthermore, contrary to the OTC and the WL distances, we show our new discounted WL distance can be differentiated (after an entropy-regularization similar to the Sinkhorn distance), making it suitable for use in learning frameworks, e.g., as the reconstruction loss in a graph generative model.