Related papers: Weisfeiler Leman for Euclidean Equivariant Machine…
Graph neural networks (GNNs) are effective models for representation learning on relational data. However, standard GNNs are limited in their expressive power, as they cannot distinguish graphs beyond the capability of the Weisfeiler-Leman…
This paper introduces a generative model equivariant to Euclidean symmetries: E(n) Equivariant Normalizing Flows (E-NFs). To construct E-NFs, we take the discriminative E(n) graph neural networks and integrate them as a differential…
We test the efficiency of applying Geometric Deep Learning to the problems in low-dimensional topology in a certain simple setting. Specifically, we consider the class of 3-manifolds described by plumbing graphs and use Graph Neural…
In this paper we present a novel graph kernel framework inspired the by the Weisfeiler-Lehman (WL) isomorphism tests. Any WL test comprises a relabelling phase of the nodes based on test-specific information extracted from the graph, for…
Graph neural networks (GNNs) have achieved tremendous success in graph mining. However, the inability of GNNs to model substructures in graphs remains a significant drawback. Specifically, message-passing GNNs (MPGNNs), as the prevailing…
Graph Neural Networks (GNNs) show promising results for graph tasks. However, existing GNNs' generalization ability will degrade when there exist distribution shifts between testing and training graph data. The cardinal impetus underlying…
In recent years, there has been a significant amount of research focused on expanding the expressivity of Graph Neural Networks (GNNs) beyond the Weisfeiler-Lehman (1-WL) framework. While many of these studies have yielded advancements in…
Graph neural network (GNN) is achieving remarkable performances in a variety of application domains. However, GNN is vulnerable to noise and adversarial attacks in input data. Making GNN robust against noises and adversarial attacks is an…
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…
We introduce the framework of Deep Weisfeiler Leman algorithms (DeepWL), which allows the design of purely combinatorial graph isomorphism tests that are more powerful than the well-known Weisfeiler-Leman algorithm. We prove that, as an…
Graphs are fundamental data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which involve predicting properties or labels for entire graphs,…
Many problems in computer vision and machine learning can be cast as learning on hypergraphs that represent higher-order relations. Recent approaches for hypergraph learning extend graph neural networks based on message passing, which is…
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…
We present a general theory of Group equivariant Convolutional Neural Networks (G-CNNs) on homogeneous spaces such as Euclidean space and the sphere. Feature maps in these networks represent fields on a homogeneous base space, and layers…
Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…
The universal approximation theorem establishes that neural networks can approximate any continuous function on a compact set. Later works in approximation theory provide quantitative approximation rates for ReLU networks on the class of…
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…
We propose a general architecture that combines the coefficient learning scheme with a residual operator layer for learning mappings between continuous functions in the 3D Euclidean space. Our proposed model is guaranteed to achieve…
The success of Graph Neural Networks (GNN) in learning on non-Euclidean data arouses many subtopics, such as Label-inputted GNN (LGNN) and Implicit GNN (IGNN). LGNN, explicitly inputting supervising information (a.k.a. labels) in GNN,…
Graph neural networks (GNN) are powerful models for many graph-structured tasks. Existing models often assume that the complete structure of the graph is available during training. In practice, however, graph-structured data is usually…