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Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order…

Hypergraphs serve as an effective model for depicting complex connections in various real-world scenarios, from social to biological networks. The development of Hypergraph Neural Networks (HGNNs) has emerged as a valuable method to manage…

We perform the first adversarial robustness study into Graph Neural Networks (GNNs) that are provably more powerful than traditional Message Passing Neural Networks (MPNNs). In particular, we use adversarial robustness as a tool to uncover…

Graph neural networks (GNNs) have demonstrated excellent performance in semi-supervised node classification tasks. Despite this, two primary challenges persist: heterogeneity and heterophily. Each of these two challenges can significantly…

Expressivity and generalization are two critical aspects of graph neural networks (GNNs). While significant progress has been made in studying the expressivity of GNNs, much less is known about their generalization capabilities,…

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming…

Hypergraphs, as a generalization of traditional graphs, naturally capture high-order relationships. In recent years, hypergraph neural networks (HNNs) have been widely used to capture complex high-order relationships. However, most existing…

Hypergraphs are a generalized data structure of graphs to model higher-order correlations among entities, which have been successfully adopted into various research domains. Meanwhile, HyperGraph Neural Network (HGNN) is currently the…

Graph Neural Networks (GNNs) have proven effective in various medical imaging applications, such as automated disease diagnosis. However, due to the local neighborhood aggregation paradigm in message passing which characterizes these…

Hypergraph neural networks have been promising tools for handling learning tasks involving higher-order data, with notable applications in web graphs, such as modeling multi-way hyperlink structures and complex user interactions. Yet, their…

Graph Neural Networks (GNNs) excel at analyzing graph-structured data but struggle on heterophilic graphs, where connected nodes often belong to different classes. While this challenge is commonly addressed with specialized GNN…

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…

Cellular sheaves equip graphs with a "geometrical" structure by assigning vector spaces and linear maps to nodes and edges. Graph Neural Networks (GNNs) implicitly assume a graph with a trivial underlying sheaf. This choice is reflected in…

This study presents a hierarchical mining framework for high-dimensional imbalanced data, leveraging a depth graph model to address the inherent performance limitations of conventional approaches in handling complex, high-dimensional data…

For a fixed graph $H$ and for arbitrarily large host graphs $G$, the number of homomorphisms from $H$ to $G$ and the number of subgraphs isomorphic to $H$ contained in $G$ have been extensively studied in extremal graph theory and graph…

Incorporating spectral information to enhance Graph Neural Networks (GNNs) has shown promising results but raises a fundamental challenge due to the inherent ambiguity of eigenvectors. Various architectures have been proposed to address…

A fundamental challenge in understanding graph neural networks (GNNs) lies in characterizing their optimization dynamics and loss landscape geometry, critical for improving interpretability and robustness. While mode connectivity, a lens…

Hypergraph is a data structure that enables us to model higher-order associations among data entities. Conventional graph-structured data can represent pairwise relationships only, whereas hypergraph enables us to associate any number of…

In this work, we introduce a hypergraph representation learning framework called Hypergraph Neural Networks (HNN) that jointly learns hyperedge embeddings along with a set of hyperedge-dependent embeddings for each node in the hypergraph.…

Dynamic graph learning (DGL) aims to learn informative and temporally-evolving node embeddings to support downstream tasks such as link prediction. A fundamental challenge in DGL lies in effectively modeling both the temporal dynamics and…