Pairwise comparison of graphs is key to many applications in Machine learning ranging from clustering, kernel-based classification/regression and more recently supervised graph prediction. Distances between graphs usually rely on informative representations of these structured objects such as bag of substructures or other graph embeddings. A recently popular solution consists in representing graphs as metric measure spaces, allowing to successfully leverage Optimal Transport, which provides meaningful distances allowing to compare them: the Gromov-Wasserstein distances. However, this family of distances overlooks edge attributes, which are essential for many structured objects. In this work, we introduce an extension of Gromov-Wasserstein distance for comparing graphs whose both nodes and edges have features. We propose novel algorithms for distance and barycenter computation. We empirically show the effectiveness of the novel distance in learning tasks where graphs occur in either input space or output space, such as classification and graph prediction.

对于机器学习中的许多应用而言，图的成对比较是关键，涉及到聚类、基于核的分类/回归和最近监督图预测等。图之间的距离通常依赖于这些结构化对象的有效表示，例如子结构的集合或其他图嵌入。本研究引入了一种用于比较具有节点和边特征的图的Gromov-Wasserstein距离的扩展，提出了距离和重心计算的新算法，并在分类和图预测等图出现在输入空间或输出空间时的学习任务中经验证明了新距离的有效性。

融合网络格罗莫夫－华松斯坦距离来利用图中的边缘特征