相关论文: Weisfeiler-Lehman meets Gromov-Wasserstein

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 Weisfeiler-Lehman (WL) test is a widely used algorithm in graph machine learning, including graph kernels, graph metrics, and graph neural networks. However, it focuses only on the consistency of the graph, which means that it is unable…

Graph neural networks are designed to learn functions on graphs. Typically, the relevant target functions are invariant with respect to actions by permutations. Therefore the design of some graph neural network architectures has been…

In recent years, graph neural networks (GNNs) have emerged as a promising tool for solving machine learning problems on graphs. Most GNNs are members of the family of message passing neural networks (MPNNs). There is a close connection…

Graph isomorphism, a classical algorithmic problem, determines whether two input graphs are structurally identical or not. Interestingly, it is one of the few problems that is not yet known to belong to either the P or NP-complete…

The Weisfeiler-Leman (WL) algorithm is a well-known combinatorial procedure for detecting symmetries in graphs and it is widely used in graph-isomorphism tests. It proceeds by iteratively refining a colouring of vertex tuples. The number of…

(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…

Recent work shows that the expressive power of Graph Neural Networks (GNNs) in distinguishing non-isomorphic graphs is exactly the same as that of the Weisfeiler-Lehman (WL) graph test. In particular, they show that the WL test can be…

Current GNN architectures use a vertex neighborhood aggregation scheme, which limits their discriminative power to that of the 1-dimensional Weisfeiler-Lehman (WL) graph isomorphism test. Here, we propose a novel graph convolution operator…

Link prediction is one important application of graph neural networks (GNNs). Most existing GNNs for link prediction are based on one-dimensional Weisfeiler-Lehman (1-WL) test. 1-WL-GNNs first compute node representations by iteratively…

Seminal research in the field of graph neural networks (GNNs) has revealed a direct correspondence between the expressive capabilities of GNNs and the $k$-dimensional Weisfeiler-Leman ($k$WL) test, a widely-recognized method for verifying…

The Weisfeiler-Leman algorithm ($1$-WL) is a well-studied heuristic for the graph isomorphism problem. Recently, the algorithm has played a prominent role in understanding the expressive power of message-passing graph neural networks…

The Weisfeiler-Leman (WL) algorithms form a family of incomplete approaches to the graph isomorphism problem. They recently found various applications in algorithmic group theory and machine learning. In fact, the algorithms form a…

The Weisfeiler--Lehman (WL) test is a fundamental iterative algorithm for checking isomorphism of graphs. It has also been observed that it underlies the design of several graph neural network architectures, whose capabilities and…

Given a graph $G$, the graph $[G]$ obtained by adding, for each pair of vertices of $G$, a unique vertex adjacent to both vertices is called the binding graph of $G$. In this work, we show that the class of binding graphs is…

The expressive power of graph neural networks is usually measured by comparing how many pairs of graphs or nodes an architecture can possibly distinguish as non-isomorphic to those distinguishable by the $k$-dimensional Weisfeiler-Leman…

The Gromov-Wasserstein (GW) distance enables comparing metric measure spaces based solely on their internal structure, making it invariant to isomorphic transformations. This property is particularly useful for comparing datasets that…

Accurate RNA secondary structure prediction is vital for understanding cellular regulation and disease mechanisms. Deep learning (DL) methods have surpassed traditional algorithms by predicting complex features like pseudoknots and…

It is unknown whether two graphs can be tested for isomorphism in polynomial time. A classical approach to the Graph Isomorphism Problem is the d-dimensional Weisfeiler-Lehman algorithm. The d-dimensional WL-algorithm can distinguish many…

Most graph kernels are an instance of the class of $\mathcal{R}$-Convolution kernels, which measure the similarity of objects by comparing their substructures. Despite their empirical success, most graph kernels use a naive aggregation of…