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Graph Neural Networks (GNNs) and their message passing framework that leverages both structural and feature information, have become a standard method for solving graph-based machine learning problems. However, these approaches still…

Machine Learning · Computer Science 2024-11-20 Simon Delarue , Thomas Bonald , Tiphaine Viard

Massive deployment of Graph Neural Networks (GNNs) in high-stake applications generates a strong demand for explanations that are robust to noise and align well with human intuition. Most existing methods generate explanations by…

Machine Learning · Computer Science 2022-07-14 Mohit Bajaj , Lingyang Chu , Zi Yu Xue , Jian Pei , Lanjun Wang , Peter Cho-Ho Lam , Yong Zhang

Graph Neural Networks (GNNs) are popular for graph machine learning and have shown great results on wide node classification tasks. Yet, they are less popular for practical deployments in the industry owing to their scalability challenges…

Machine Learning · Computer Science 2022-03-24 Shichang Zhang , Yozen Liu , Yizhou Sun , Neil Shah

Explaining Graph Neural Networks (GNNs) has garnered significant attention due to the need for interpretability, enabling users to understand the behavior of these black-box models better and extract valuable insights from their…

Machine Learning · Computer Science 2025-06-03 Jiaxing Zhang , Xiaoou Liu , Dongsheng Luo , Hua Wei

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the…

Machine Learning · Computer Science 2025-12-12 Lin Du , Lu Bai , Jincheng Li , Lixin Cui , Hangyuan Du , Lichi Zhang , Yuting Chen , Zhao Li

Large Language Models (LLMs) demonstrate strong reasoning abilities but face limitations such as hallucinations and outdated knowledge. Knowledge Graph (KG)-based Retrieval-Augmented Generation (RAG) addresses these issues by grounding LLM…

Computation and Language · Computer Science 2025-03-04 Mufei Li , Siqi Miao , Pan Li

We propose a multi-explanation graph attention network (MEGAN). Unlike existing graph explainability methods, our network can produce node and edge attributional explanations along multiple channels, the number of which is independent of…

Machine Learning · Computer Science 2024-02-20 Jonas Teufel , Luca Torresi , Patrick Reiser , Pascal Friederich

Graph retrieval-augmented generation (GRAG) places high demands on graph-specific retrievers. However, existing retrievers often rely on language models pretrained on plain text, limiting their effectiveness due to domain misalignment and…

Information Retrieval · Computer Science 2025-06-04 Xiaochen Wang , Zongyu Wu , Yuan Zhong , Xiang Zhang , Suhang Wang , Fenglong Ma

The user review data have been demonstrated to be effective in solving different recommendation problems. Previous review-based recommendation methods usually employ sophisticated compositional models, such as Recurrent Neural Networks…

Information Retrieval · Computer Science 2021-01-26 Yong Liu , Susen Yang , Yinan Zhang , Chunyan Miao , Zaiqing Nie , Juyong Zhang

We propose a novel model-level GNN explanation framework that shifts the explanation target from class-wise rule extraction to rule-based logit reconstruction. Our method recasts the graph-level readout of a pretrained GNN as a weighted…

Machine Learning · Computer Science 2026-05-13 Shengyao Lu , Jiuding Yang , Aedan J. DeFrates , Keith G. Mills , Baochun Li , Di Niu

The capacity of Large Language Models (LLMs) to follow complex instructions and generate factually accurate text is critical for their real-world application. However, standard decoding methods often fail to robustly satisfy these…

We present a logic based interpretable model for learning on graphs and an algorithm to distill this model from a Graph Neural Network (GNN). Recent results have shown connections between the expressivity of GNNs and the two-variable…

Machine Learning · Computer Science 2024-08-22 Alexander Pluska , Pascal Welke , Thomas Gärtner , Sagar Malhotra

Recent advancement in deep-neural network performance led to the development of new state-of-the-art approaches in numerous areas. However, the black-box nature of neural networks often prohibits their use in areas where model…

Computer Vision and Pattern Recognition · Computer Science 2024-12-13 Davor Vukadin , Petar Afrić , Marin Šilić , Goran Delač

Graph Neural Networks (GNNs) have emerged as an efficient alternative to convolutional approaches for vision tasks such as image classification, leveraging patch-based representations instead of raw pixels. These methods construct graphs…

Computer Vision and Pattern Recognition · Computer Science 2025-04-29 Nikolaos Chaidos , Angeliki Dimitriou , Nikolaos Spanos , Athanasios Voulodimos , Giorgos Stamou

Explaining deep learning models in a way that humans can easily understand is essential for responsible artificial intelligence applications. Attribution methods constitute an important area of explainable deep learning. The attribution…

Computer Vision and Pattern Recognition · Computer Science 2025-01-22 Michal Byra , Henrik Skibbe

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…

Machine Learning · Computer Science 2024-06-17 Shuai Wang , David W. Zhang , Jia-Hong Huang , Stevan Rudinac , Monika Kackovic , Nachoem Wijnberg , Marcel Worring

Graph Neural Networks (GNNs) have achieved remarkable success in various real-world applications. However, GNNs may be trained on undesirable graph data, which can degrade their performance and reliability. To enable trained GNNs to…

Machine Learning · Computer Science 2024-03-14 Jiahao Zhang , Lin Wang , Shijie Wang , Wenqi Fan

Graph neural networks (GNNs) have demonstrated excellent performance in a wide range of applications. However, the enormous size of large-scale graphs hinders their applications under real-time inference scenarios. Although existing…

Machine Learning · Computer Science 2022-12-29 Xinyi Gao , Wentao Zhang , Yingxia Shao , Quoc Viet Hung Nguyen , Bin Cui , Hongzhi Yin

The first provably efficient algorithm for learning graph neural networks (GNNs) with one hidden layer for node information convolution is provided in this paper. Two types of GNNs are investigated, depending on whether labels are attached…

Machine Learning · Computer Science 2020-12-08 Qunwei Li , Shaofeng Zou , Wenliang Zhong

Generative machine learning models offer a powerful framework for therapeutic design by efficiently exploring large spaces of biological sequences enriched for desirable properties. Unlike supervised learning methods, which require both…

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