MLMay 31, 2023
Bures-Wasserstein Means of GraphsIsabel Haasler, Pascal Frossard
Finding the mean of sampled data is a fundamental task in machine learning and statistics. However, in cases where the data samples are graph objects, defining a mean is an inherently difficult task. We propose a novel framework for defining a graph mean via embeddings in the space of smooth graph signal distributions, where graph similarity can be measured using the Wasserstein metric. By finding a mean in this embedding space, we can recover a mean graph that preserves structural information. We establish the existence and uniqueness of the novel graph mean, and provide an iterative algorithm for computing it. To highlight the potential of our framework as a valuable tool for practical applications in machine learning, it is evaluated on various tasks, including k-means clustering of structured aligned graphs, classification of functional brain networks, and semi-supervised node classification in multi-layer graphs. Our experimental results demonstrate that our approach achieves consistent performance, outperforms existing baseline approaches, and improves the performance of state-of-the-art methods.
LGOct 1, 2021
On the complexity of the optimal transport problem with graph-structured costJiaojiao Fan, Isabel Haasler, Johan Karlsson et al.
Multi-marginal optimal transport (MOT) is a generalization of optimal transport to multiple marginals. Optimal transport has evolved into an important tool in many machine learning applications, and its multi-marginal extension opens up for addressing new challenges in the field of machine learning. However, the usage of MOT has been largely impeded by its computational complexity which scales exponentially in the number of marginals. Fortunately, in many applications, such as barycenter or interpolation problems, the cost function adheres to structures, which has recently been exploited for developing efficient computational methods. In this work we derive computational bounds for these methods. With $m$ marginal distributions supported on $n$ points, we provide a $ \mathcal{\tilde O}(d(G)m n^2ε^{-2})$ bound for a $ε$-accuracy when the problem is associated with a tree with diameter $d(G)$. For the special case of the Wasserstein barycenter problem, which corresponds to a star-shaped tree, our bound is in alignment with the existing complexity bound for it.
MLJun 26, 2020
Incremental inference of collective graphical modelsRahul Singh, Isabel Haasler, Qinsheng Zhang et al.
We consider incremental inference problems from aggregate data for collective dynamics. In particular, we address the problem of estimating the aggregate marginals of a Markov chain from noisy aggregate observations in an incremental (online) fashion. We propose a sliding window Sinkhorn belief propagation (SW-SBP) algorithm that utilizes a sliding window filter of the most recent noisy aggregate observations along with encoded information from discarded observations. Our algorithm is built upon the recently proposed multi-marginal optimal transport based SBP algorithm that leverages standard belief propagation and Sinkhorn algorithm to solve inference problems from aggregate data. We demonstrate the performance of our algorithm on applications such as inferring population flow from aggregate observations.
OCJun 25, 2020
Multi-marginal optimal transport and probabilistic graphical modelsIsabel Haasler, Rahul Singh, Qinsheng Zhang et al.
We study multi-marginal optimal transport problems from a probabilistic graphical model perspective. We point out an elegant connection between the two when the underlying cost for optimal transport allows a graph structure. In particular, an entropy regularized multi-marginal optimal transport is equivalent to a Bayesian marginal inference problem for probabilistic graphical models with the additional requirement that some of the marginal distributions are specified. This relation on the one hand extends the optimal transport as well as the probabilistic graphical model theories, and on the other hand leads to fast algorithms for multi-marginal optimal transport by leveraging the well-developed algorithms in Bayesian inference. Several numerical examples are provided to highlight the results.
LGMar 31, 2020
Inference with Aggregate Data: An Optimal Transport ApproachRahul Singh, Isabel Haasler, Qinsheng Zhang et al.
We consider inference (filtering) problems over probabilistic graphical models with aggregate data generated by a large population of individuals. We propose a new efficient belief propagation type algorithm over tree-structured graphs with polynomial computational complexity as well as a global convergence guarantee. This is in contrast to previous methods that either exhibit prohibitive complexity as the population grows or do not guarantee convergence. Our method is based on optimal transport, or more specifically, multi-marginal optimal transport theory. In particular, we consider an inference problem with aggregate observations, that can be seen as a structured multi-marginal optimal transport problem where the cost function decomposes according to the underlying graph. Consequently, the celebrated Sinkhorn/iterative scaling algorithm for multi-marginal optimal transport can be leveraged together with the standard belief propagation algorithm to establish an efficient inference scheme which we call Sinkhorn belief propagation (SBP). We further specialize the SBP algorithm to cases associated with hidden Markov models due to their significance in control and estimation. We demonstrate the performance of our algorithm on applications such as inferring population flow from aggregate observations. We also show that in the special case where the observations are generated by a single individual, our algorithm naturally reduces to the standard belief propagation algorithm.