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Hypergraphs are a powerful abstraction for representing higher-order interactions between entities of interest. To exploit these relationships in making downstream predictions, a variety of hypergraph neural network architectures have…

Machine Learning · Computer Science 2023-06-21 Yuxin Wang , Quan Gan , Xipeng Qiu , Xuanjing Huang , David Wipf

Recently, Graph Neural Networks (GNNs) have significantly advanced the performance of machine learning tasks on graphs. However, this technological breakthrough makes people wonder: how does a GNN make such decisions, and can we trust its…

Machine Learning · Computer Science 2024-02-26 Xiaoqi Wang , Han-Wei Shen

Training graph classifiers able to distinguish between healthy brains and dysfunctional ones, can help identifying substructures associated to specific cognitive phenotypes. However, the mere predictive power of the graph classifier is of…

Social and Information Networks · Computer Science 2021-06-21 Carlo Abrate , Francesco Bonchi

Hypergraph neural networks are a class of powerful models that leverage the message passing paradigm to learn over hypergraphs, a generalization of graphs well-suited to describing relational data with higher-order interactions. However,…

Machine Learning · Computer Science 2024-10-11 Shiye Su , Iulia Duta , Lucie Charlotte Magister , Pietro Liò

Graph neural networks (GNNs) have been widely used in various domains such as social networks, molecular biology, or recommendation systems. Concurrently, different explanations methods of GNNs have arisen to complement its black-box…

Machine Learning · Computer Science 2025-05-14 Gregoire Fournier , Sourav Medya

Graph neural networks (GNNs) have achieved remarkable success in node classification. Building on this progress, heterogeneous graph neural networks (HGNNs) integrate relation types and node and edge semantics to leverage heterogeneous…

Machine Learning · Computer Science 2025-10-08 Xiao Yang , Xuejiao Zhao , Zhiqi Shen

Graph Neural Networks (GNNs) have been successful in modeling graph-structured data. However, similar to other machine learning models, GNNs can exhibit bias in predictions based on attributes like race and gender. Moreover, bias in GNNs…

Machine Learning · Computer Science 2025-08-21 Zengyi Wo , Chang Liu , Yumeng Wang , Minglai Shao , Wenjun Wang

Interpretability research takes counterfactual theories of causality for granted. Most causal methods rely on counterfactual interventions to inputs or the activations of particular model components, followed by observations of the change…

Machine Learning · Computer Science 2024-07-08 Aaron Mueller

Explainable Graph Neural Network (GNN) has emerged recently to foster the trust of using GNNs. Existing GNN explainers are developed from various perspectives to enhance the explanation performance. We take the first step to study GNN…

Cryptography and Security · Computer Science 2024-06-06 Jiate Li , Meng Pang , Yun Dong , Jinyuan Jia , Binghui Wang

Recommender systems rely on Collaborative Filtering (CF) to predict user preferences by leveraging patterns in historical user-item interactions. While traditional CF methods primarily focus on learning compact vector embeddings for users…

Information Retrieval · Computer Science 2025-01-29 Darnbi Sakong , Thanh Trung Huynh , Jun Jo

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…

Machine Learning · Computer Science 2023-02-28 Zhaoning Yu , Hongyang Gao

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…

Machine Learning · Computer Science 2025-12-29 Chengyu Tian , Wenbin Pei

Hypergraphs, with their capacity to depict high-order relationships, have emerged as a significant extension of traditional graphs. Although Graph Neural Networks (GNNs) have remarkable performance in graph representation learning, their…

Machine Learning · Computer Science 2024-11-07 Khaled Mohammed Saifuddin , Mehmet Emin Aktas , Esra Akbas

Reaction virtual screening and discovery are fundamental challenges in chemistry and materials science, where traditional graph neural networks (GNNs) struggle to model multi-reactant interactions. In this work, we propose ChemHGNN, a…

Machine Learning · Computer Science 2025-06-16 Xiaobao Huang , Yihong Ma , Anjali Gurajapu , Jules Schleinitz , Zhichun Guo , Sarah E. Reisman , Nitesh V. Chawla

Despite recent advances in representation learning in hypercomplex (HC) space, this subject is still vastly unexplored in the context of graphs. Motivated by the complex and quaternion algebras, which have been found in several contexts to…

Machine Learning · Computer Science 2022-02-22 Tuan Le , Marco Bertolini , Frank Noé , Djork-Arné Clevert

HyperGraph Convolutional Neural Networks (HGCNNs) have demonstrated their potential in modeling high-order relations preserved in graph structured data. However, most existing convolution filters are localized and determined by the…

Machine Learning · Computer Science 2021-06-11 Jiying Zhang , Yuzhao Chen , Xi Xiao , Runiu Lu , Shu-Tao Xia

Graph representation learning (GRL) has emerged as an effective technique for modeling graph-structured data. When modeling heterogeneity and dynamics in real-world complex networks, GRL methods designed for complex heterogeneous temporal…

Social and Information Networks · Computer Science 2026-05-19 Huan Liu , Pengfei Jiao , Mengzhou Gao , Chaochao Chen , Di Jin

Many real-world interactions are group-based rather than pairwise such as papers with multiple co-authors and users jointly engaging with items. Hypergraph neural networks have shown great promise at modeling higher-order relations, but…

Machine Learning · Computer Science 2025-08-14 Xiaoyu Li , Guangyu Tang , Jiaojiao Jiang

Graph neural networks have demonstrated state-of-the-art performance on knowledge graph tasks such as link prediction. However, interpreting GNN predictions remains a challenging open problem. While many GNN explainability methods have been…

Machine Learning · Computer Science 2025-06-17 Ryoji Kubo , Djellel Difallah

In recent years, there has been a growing interest in explainable AI methods. In addition to making accurate predictions, we also want to understand what the model's decision is based on. One of the fundamental levels of interpretability is…

Machine Learning · Computer Science 2026-03-11 Patryk Marszałek , Kamil Książek , Oleksii Furman , Ulvi Movsum-zada , Przemysław Spurek , Marek Śmieja