Related papers: Local Fragments, Global Gains: Subgraph Counting u…

As the popularity of graph data increases, there is a growing need to count the occurrences of subgraph patterns of interest, for a variety of applications. Many graphs are massive in scale and also fully dynamic (with insertions and…

The invariance to permutations of the adjacency matrix, i.e., graph isomorphism, is an overarching requirement for Graph Neural Networks (GNNs). Conventionally, this prerequisite can be satisfied by the invariant operations over node…

Inferring missing links or detecting spurious ones based on observed graphs, known as link prediction, is a long-standing challenge in graph data analysis. With the recent advances in deep learning, graph neural networks have been used for…

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…

Graph Neural Networks (GNNs) face fundamental limitations in expressivity and capturing structural heterogeneity. Standard message-passing architectures are constrained by the 1-dimensional Weisfeiler-Leman (1-WL) test, unable to…

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

Supervised learning has recently garnered significant attention in the field of computational physics due to its ability to effectively extract complex patterns for tasks like solving partial differential equations, or predicting material…

Knowledge Graphs (KGs) are a rich source of structured, heterogeneous data, powering a wide range of applications. A common approach to leverage this data is to train a graph neural network (GNN) on the KG. However, existing message-passing…

Spectral analysis of neighborhood graphs is one of the most widely used techniques for exploratory data analysis, with applications ranging from machine learning to social sciences. In such applications, it is typical to first encode…

We introduce $r$-loopy Weisfeiler-Leman ($r$-$\ell{}$WL), a novel hierarchy of graph isomorphism tests and a corresponding GNN framework, $r$-$\ell{}$MPNN, that can count cycles up to length $r + 2$. Most notably, we show that…

A $k$-motif (or graphlet) is a subgraph on $k$ nodes in a graph or network. Counting of motifs in complex networks has been a well-studied problem in network analysis of various real-word graphs arising from the study of social networks and…

We propose a Graph Neural Network with greater expressive power than commonly used GNNs - not constrained to only differentiate between graphs that Weisfeiler-Lehman test recognizes to be non-isomorphic. We use a graph attention network…

Graph neural networks have become the de facto model for learning from structured data. However, the decision-making process of GNNs remains opaque to the end user, which undermines their use in safety-critical applications. Several…

As it is well known, the isomorphism problem for vertex-colored graphs with color multiplicity at most 3 is solvable by the classical 2-dimensional Weisfeiler-Leman algorithm (2-WL). On the other hand, the prominent Cai-F\"urer-Immerman…

Graph learning architectures based on the k-dimensional Weisfeiler-Leman (k-WL) hierarchy offer a theoretically well-understood expressive power. However, such architectures often fail to deliver solid predictive performance on real-world…

We consider the explanation problem of Graph Neural Networks (GNNs). Most existing GNN explanation methods identify the most important edges or nodes but fail to consider substructures, which are more important for graph data. The only…

Pattern counting in graphs is fundamental to network science tasks, and there are many scalable methods for approximating counts of small patterns, often called motifs, in large graphs. However, modern graph datasets now contain richer…

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…

Graph neural networks are prominent models for representation learning over graph-structured data. While the capabilities and limitations of these models are well-understood for simple graphs, our understanding remains incomplete in the…

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…