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Large Language Models (LLMs) have demonstrated remarkable capabilities in text generation and understanding, yet their reliance on implicit, unstructured knowledge often leads to factual inaccuracies and limited interpretability. Knowledge…

Computation and Language · Computer Science 2025-06-17 Qinggang Zhang

Graph research, the systematic study of interconnected data points represented as graphs, plays a vital role in capturing intricate relationships within networked systems. However, in the real world, as graphs scale up, concerns about data…

Machine Learning · Computer Science 2023-11-08 Qiang Wu , Yiming Huang , Yujie Zeng , Yijie Teng , Fang Zhou , Linyuan Lü

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

Graph classification is a challenging problem owing to the difficulty in quantifying the similarity between graphs or representing graphs as vectors, though there have been a few methods using graph kernels or graph neural networks (GNNs).…

Machine Learning · Computer Science 2024-08-22 Zixiao Wang , Jicong Fan

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Graph Neural Networks (GNNs) have evolved to understand graph structures through recursive exchanges and aggregations among nodes. To enhance robustness, self-supervised learning (SSL) has become a vital tool for data augmentation.…

Computation and Language · Computer Science 2024-05-08 Jiabin Tang , Yuhao Yang , Wei Wei , Lei Shi , Lixin Su , Suqi Cheng , Dawei Yin , Chao Huang

Graphs are pervasive in the real-world, such as social network analysis, bioinformatics, and knowledge graphs. Graph neural networks (GNNs) have great ability in node classification, a fundamental task on graphs. Unfortunately, conventional…

Machine Learning · Computer Science 2024-09-05 Quan Li , Tianxiang Zhao , Lingwei Chen , Junjie Xu , Suhang Wang

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Graph Neural Networks (GNNs) are the go-to model for graph data analysis. However, GNNs rely on two key operations - aggregation and update, which can pose challenges for low-latency inference tasks or resource-constrained scenarios. Simple…

Machine Learning · Computer Science 2026-01-14 Amir Eskandari , Aman Anand , Elyas Rashno , Farhana Zulkernine

Graph Neural Networks (GNNs) have revolutionized graph-based machine learning, but their heavy computational demands pose challenges for latency-sensitive edge devices in practical industrial applications. In response, a new wave of…

Machine Learning · Computer Science 2024-05-24 Weigang Lu , Ziyu Guan , Wei Zhao , Yaming Yang

Leveraging Graph Neural Networks (GNNs) as graph encoders and aligning the resulting representations with Large Language Models (LLMs) through alignment instruction tuning has become a mainstream paradigm for constructing Graph Language…

Machine Learning · Computer Science 2026-05-13 Haibo Chen , Xin Wang , Jiaheng Chao , Ling Feng , Wenwu Zhu

Predictive tasks on relational databases are critical in real-world applications spanning e-commerce, healthcare, and social media. To address these tasks effectively, Relational Deep Learning (RDL) encodes relational data as graphs,…

Machine Learning · Computer Science 2025-06-10 Tianlang Chen , Charilaos Kanatsoulis , Jure Leskovec

Graph, such as citation networks, social networks, and transportation networks, are prevalent in the real world. Graph Neural Networks (GNNs) have gained widespread attention for their robust expressiveness and exceptional performance in…

Machine Learning · Computer Science 2023-03-01 Jing Liu , Tongya Zheng , Guanzheng Zhang , Qinfen Hao

Recent advances in graph neural networks (GNNs) have enabled more comprehensive modeling of molecules and molecular systems, thereby enhancing the precision of molecular property prediction and molecular simulations. Nonetheless, as the…

Machine Learning · Computer Science 2023-10-31 Filip Ekström Kelvinius , Dimitar Georgiev , Artur Petrov Toshev , Johannes Gasteiger

Graph Neural Networks (GNNs) show great promise for Network Intrusion Detection Systems (NIDS), particularly in IoT environments, but suffer performance degradation due to distribution drift and lack robustness against realistic adversarial…

Cryptography and Security · Computer Science 2025-06-27 Zhonghao Zhan , Huichi Zhou , Hamed Haddadi

Distilling high-accuracy Graph Neural Networks (GNNs) to low-latency multilayer perceptions (MLPs) on graph tasks has become a hot research topic. However, conventional MLP learning relies almost exclusively on graph nodes and fails to…

Machine Learning · Computer Science 2024-12-10 Taiqiang Wu , Zhe Zhao , Jiahao Wang , Xingyu Bai , Lei Wang , Ngai Wong , Yujiu Yang

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

Recently, deep learning techniques have garnered substantial attention for their ability to identify vulnerable code patterns accurately. However, current state-of-the-art deep learning models, such as Convolutional Neural Networks (CNN),…

Cryptography and Security · Computer Science 2023-02-24 Marwan Omar

Combining multiple knowledge graphs (KGs) across linguistic boundaries is a persistent challenge due to semantic heterogeneity and the complexity of graph environments. We propose a framework for cross-lingual graph fusion, leveraging the…

Computation and Language · Computer Science 2026-03-24 Kaung Myat Kyaw , Khush Agarwal , Jonathan Chan

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li
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