Related papers: Aligning Transformers with Weisfeiler-Leman

Graph Neural Networks (GNNs) are known to match the distinguishing power of the 1-Weisfeiler-Lehman (1-WL) test, and the resulting partitions coincide with the unfolding tree equivalence classes of graphs. Preserving this equivalence, GNNs…

Graph Neural Networks (GNNs) are a large class of relational models for graph processing. Recent theoretical studies on the expressive power of GNNs have focused on two issues. On the one hand, it has been proven that GNNs are as powerful…

A graph neural network (GNN) is a good choice for predicting the chemical properties of molecules. Compared with other deep networks, however, the current performance of a GNN is limited owing to the "curse of depth." Inspired by…

We argue that Transformers are essentially graph-to-graph models, with sequences just being a special case. Attention weights are functionally equivalent to graph edges. Our Graph-to-Graph Transformer architecture makes this ability…

In recent years, algorithms and neural architectures based on the Weisfeiler--Leman algorithm, a well-known heuristic for the graph isomorphism problem, have emerged as a powerful tool for machine learning with graphs and relational data.…

Robustness in complex systems is of significant engineering and economic importance. However, conventional attack-based a posteriori robustness assessments incur prohibitive computational overhead. Recently, deep learning methods, such as…

Positional Encodings (PEs) are essential for injecting structural information into Graph Neural Networks (GNNs), particularly Graph Transformers, yet their empirical impact remains insufficiently understood. We introduce a unified…

We study and compare different Graph Neural Network extensions that increase the expressive power of GNNs beyond the Weisfeiler-Leman test. We focus on (i) GNNs based on higher order WL methods, (ii) GNNs that preprocess small substructures…

Twin-width is a graph parameter introduced in the context of first-order model checking, and has since become a central parameter in algorithmic graph theory. While many algorithmic problems become easier on arbitrary classes of bounded…

We propose CRaWl, a novel neural network architecture for graph learning. Like graph neural networks, CRaWl layers update node features on a graph and thus can freely be combined or interleaved with GNN layers. Yet CRaWl operates…

Graph neural networks (GNNs) are deep learning architectures for machine learning problems on graphs. It has recently been shown that the expressiveness of GNNs can be characterised precisely by the combinatorial Weisfeiler-Leman algorithms…

Numerous subgraph-enhanced graph neural networks (GNNs) have emerged recently, provably boosting the expressive power of standard (message-passing) GNNs. However, there is a limited understanding of how these approaches relate to each other…

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…

A hypergraph consists of a set of nodes along with a collection of subsets of the nodes called hyperedges. Higher-order link prediction is the task of predicting the existence of a missing hyperedge in a hypergraph. A hyperedge…

Graph Transformer has recently received wide attention in the research community with its outstanding performance, yet its structural expressive power has not been well analyzed. Inspired by the connections between Weisfeiler-Lehman (WL)…

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…

The expressive power of Graph Neural Networks (GNNs) has been studied extensively through the Weisfeiler-Leman (WL) graph isomorphism test. However, standard GNNs and the WL framework are inapplicable for geometric graphs embedded in…

Graph neural networks (GNNs) have become the \textit{de facto} standard for representational learning in graphs, and have achieved state-of-the-art performance in many graph-related tasks; however, it has been shown that the expressive…

Two simple undirected graphs are cospectral if their respective adjacency matrices have the same multiset of eigenvalues. Cospectrality yields an equivalence relation on the family of graphs which is provably weaker than isomorphism. In…

The Weisfeiler-Leman (WL) dimension is an established measure for the inherent descriptive complexity of graphs and relational structures. It corresponds to the number of variables that are needed and sufficient to define the object of…