Related papers: Going beyond persistent homology using persistent …

Graph-structured data consisting of objects (i.e., nodes) and relationships among objects (i.e., edges) are ubiquitous. Graph-level learning is a matter of studying a collection of graphs instead of a single graph. Traditional graph-level…

An assignment of colours to the vertices of a graph is stable if any two vertices of the same colour have identically coloured neighbourhoods. The goal of colour refinement is to find a stable colouring that uses a minimum number of…

Recently a new feature representation and data analysis methodology based on a topological tool called persistent homology (and its corresponding persistence diagram summary) has started to attract momentum. A series of methods have been…

This paper presents a new Graph Neural Network (GNN) type using feature-wise linear modulation (FiLM). Many standard GNN variants propagate information along the edges of a graph by computing "messages" based only on the representation of…

Given an undirected graph $G=(V,E)$ with a set of vertices $V$ and a set of edges $E$, a graph coloring problem involves finding a partition of the vertices into different independent sets. In this paper we present a new framework that…

Graph Neural Networks (GNNs) have emerged as a powerful tool for data-driven learning on various graph domains. They are usually based on a message-passing mechanism and have gained increasing popularity for their intuitive formulation,…

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…

This work generalizes graph neural networks (GNNs) beyond those based on the Weisfeiler-Lehman (WL) algorithm, graph Laplacians, and diffusions. Our approach, denoted Relational Pooling (RP), draws from the theory of finite partial…

Graph Neural Networks (GNNs) and Graph Transformers (GTs) are now a fundamental paradigm for graph learning, combining the representation-learning capabilities of deep models with the sample efficiency induced by their inductive biases.…

Graph Neural Networks (GNNs) show strong expressive power on graph data mining, by aggregating information from neighbors and using the integrated representation in the downstream tasks. The same aggregation methods and parameters for each…

Graph neural networks have been widely used on modeling graph data, achieving impressive results on node classification and link prediction tasks. Yet, obtaining an accurate representation for a graph further requires a pooling function…

Rethink convolution-based graph neural networks (GNN) -- they characteristically suffer from limited expressiveness, over-smoothing, and over-squashing, and require specialized sparse kernels for efficient computation. Here, we design a…

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…

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

While Graph Neural Networks (GNNs) have achieved enormous success in multiple graph analytical tasks, modern variants mostly rely on the strong inductive bias of homophily. However, real-world networks typically exhibit both homophilic and…

Graph isomorphism testing is usually approached via the comparison of graph invariants. Two popular alternatives that offer a good trade-off between expressive power and computational efficiency are combinatorial (i.e., obtained via the…

Heterogeneous Graph Neural Networks (HGNNs) have gained significant popularity in various heterogeneous graph learning tasks. However, most existing HGNNs rely on spatial domain-based methods to aggregate information, i.e., manually…

Recent results show that the structural similarity of graphs can be characterized by counting homomorphisms to them: the Tree Theorem states that the well-known color-refinement algorithm does not distinguish two graphs G and H if and only…

Recently a variety of methods have been developed to encode graphs into low-dimensional vectors that can be easily exploited by machine learning algorithms. The majority of these methods start by embedding the graph nodes into a…

This paper addresses the challenging problem of retrieval and matching of graph structured objects, and makes two key contributions. First, we demonstrate how Graph Neural Networks (GNN), which have emerged as an effective model for various…