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Using Large Language Models (LLMs) to process graph-structured data is an active research area, yet current state-of-the-art approaches typically rely on multi-step pipelines with Graph Neural Network (GNN) encoders that compress rich…

Machine Learning · Computer Science 2026-05-12 Dario Vajda

Heterogeneous graphs, comprising diverse node and edge types connected through varied relations, are ubiquitous in real-world applications. Message-passing heterogeneous graph neural networks (HGNNs) have emerged as a powerful model class…

Machine Learning · Computer Science 2025-12-10 Junwei Su , Lingjun Mao , Zheng Da , Chuan Wu

Accurate predictions on tabular data rely on capturing complex, dataset-specific feature interactions. Attention-based methods and graph neural networks, referred to as graph-based tabular deep learning (GTDL), aim to improve predictions by…

Machine Learning · Computer Science 2026-03-10 Elias Dubbeldam , Reza Mohammadi , Marit Schoonhoven , S. Ilker Birbil

Reasoning on the knowledge graph (KG) aims to infer new facts from existing ones. Methods based on the relational path have shown strong, interpretable, and transferable reasoning ability. However, paths are naturally limited in capturing…

Artificial Intelligence · Computer Science 2022-01-24 Yongqi Zhang , Quanming Yao

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

Recent advances in graph learning have paved the way for innovative retrieval-augmented generation (RAG) systems that leverage the inherent relational structures in graph data. However, many existing approaches suffer from rigid, fixed…

Information Retrieval · Computer Science 2025-03-26 Yuan Li , Jun Hu , Jiaxin Jiang , Zemin Liu , Bryan Hooi , Bingsheng He

Recently, text classification model based on graph neural network (GNN) has attracted more and more attention. Most of these models adopt a similar network paradigm, that is, using pre-training node embedding initialization and two-layer…

Computation and Language · Computer Science 2023-01-26 Jiayuan Chen , Boyu Zhang , Yinfei Xu , Meng Wang

Graph Neural Networks (GNNs) have attracted immense attention in the past decade due to their numerous real-world applications built around graph-structured data. On the other hand, Large Language Models (LLMs) with extensive pretrained…

Relational deep learning (RDL) has emerged as a powerful paradigm for learning directly on relational databases by modeling entities and their relationships across multiple interconnected tables. As this paradigm evolves toward larger…

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Recurrent Neural Networks (RNNs) are among the most successful machine learning models for sequence modelling, but tend to suffer from an exponential increase in the number of parameters when dealing with large multidimensional data. To…

Machine Learning · Computer Science 2021-05-12 Yao Lei Xu , Danilo P. Mandic

Neural networks excel in detecting regular patterns but are less successful in representing and manipulating complex data structures, possibly due to the lack of an external memory. This has led to the recent development of a new line of…

Artificial Intelligence · Computer Science 2018-11-29 Trang Pham , Truyen Tran , Svetha Venkatesh

Explainable Graph Neural Networks (GNNs) have been developed and applied to drug-protein binding prediction to identify the key chemical structures in a drug that have active interactions with the target proteins. However, the key…

Biomolecules · Quantitative Biology 2023-09-25 Yang Wang , Zanyu Shi , Timothy Richardson , Kun Huang , Pathum Weerawarna , Yijie Wang

Predictive modeling over relational databases (RDBs) powers applications, yet remains challenging due to capturing both cross-table dependencies and complex feature interactions. Relational Deep Learning (RDL) methods automate feature…

Machine Learning · Computer Science 2026-02-27 Zhikai Chen , Han Xie , Jian Zhang , Jiliang Tang , Xiang Song , Huzefa Rangwala

Social recommendation which aims to leverage social connections among users to enhance the recommendation performance. With the revival of deep learning techniques, many efforts have been devoted to developing various neural network-based…

Information Retrieval · Computer Science 2021-10-11 Huance Xu , Chao Huang , Yong Xu , Lianghao Xia , Hao Xing , Dawei Yin

Graph Neural Networks (GNNs) have become popular across a diverse set of tasks in exploring structural relationships between entities. However, due to the highly connected structure of the datasets, distributed training of GNNs on…

Machine Learning · Computer Science 2025-09-08 Arefin Niam , Tevfik Kosar , M S Q Zulkar Nine

Molecular representation learning (MRL) has long been crucial in the fields of drug discovery and materials science, and it has made significant progress due to the development of natural language processing (NLP) and graph neural networks…

Information Theory · Computer Science 2023-05-25 Chen Gong , Yvon Maday

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

Machine Learning · Computer Science 2020-06-11 Amir Hosein Khasahmadi , Kaveh Hassani , Parsa Moradi , Leo Lee , Quaid Morris

Traffic prediction is the cornerstone of an intelligent transportation system. Accurate traffic forecasting is essential for the applications of smart cities, i.e., intelligent traffic management and urban planning. Although various methods…

Machine Learning · Computer Science 2021-05-04 Fuxian Li , Jie Feng , Huan Yan , Guangyin Jin , Depeng Jin , Yong Li

Graph neural architecture search has sparked much attention as Graph Neural Networks (GNNs) have shown powerful reasoning capability in many relational tasks. However, the currently used graph search space overemphasizes learning node…

Machine Learning · Computer Science 2022-06-01 Shaofei Cai , Liang Li , Xinzhe Han , Jiebo Luo , Zheng-Jun Zha , Qingming Huang
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