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Graphs are fundamental data structures which concisely capture the relational structure in many important real-world domains, such as knowledge graphs, physical and social interactions, language, and chemistry. Here we introduce a powerful…

Machine Learning · Computer Science 2018-03-12 Yujia Li , Oriol Vinyals , Chris Dyer , Razvan Pascanu , Peter Battaglia

Machine learning techniques have recently been adopted in various applications in medicine, biology, chemistry, and material engineering. An important task is to predict the properties of molecules, which serves as the main subroutine in…

Machine Learning · Computer Science 2019-11-12 Shengchao Liu , Mehmet Furkan Demirel , Yingyu Liang

Graph representation learning aims to effectively encode high-dimensional sparse graph-structured data into low-dimensional dense vectors, which is a fundamental task that has been widely studied in a range of fields, including machine…

Graph representation learning is a fast-growing field where one of the main objectives is to generate meaningful representations of graphs in lower-dimensional spaces. The learned embeddings have been successfully applied to perform various…

Machine Learning · Computer Science 2021-12-21 Md. Khaledur Rahman , Ariful Azad

The progress made in code modeling has been tremendous in recent years thanks to the design of natural language processing learning approaches based on state-of-the-art model architectures. Nevertheless, we believe that the current…

Software Engineering · Computer Science 2022-02-22 Martin Weyssow , Houari Sahraoui , Bang Liu

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Artificial Intelligence · Computer Science 2023-01-31 Chenqing Hua , Sitao Luan , Qian Zhang , Jie Fu

Generative AI, particularly Large Language Models, increasingly integrates graph-based representations to enhance reasoning, retrieval, and structured decision-making. Despite rapid advances, there remains limited clarity regarding when,…

Artificial Intelligence · Computer Science 2026-04-21 Hamed Jelodar , Samita Bai , Mohammad Meymani , Parisa Hamedi , Roozbeh Razavi-Far , Ali Ghorbani

The analysis of graphs has become increasingly important to a wide range of applications. Graph analysis presents a number of unique challenges in the areas of (1) software complexity, (2) data complexity, (3) security, (4) mathematical…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-19 Jeremy Kepner , David Bader , Aydın Buluc , John Gilbert , Timothy Mattson , Henning Meyerhenke

We introduce the Hierarchical Unified Graph Representation (HUGR): a novel graph based intermediate representation for mixed quantum-classical programs. HUGR's design features high expressivity and extensibility to capture the capabilities…

Advancing research in the emerging field of deep graph learning requires new tools to support tensor computation over graphs. In this paper, we present the design principles and implementation of Deep Graph Library (DGL). DGL distills the…

The performance analytics domain in High Performance Computing (HPC) uses tabular data to solve regression problems, such as predicting the execution time. Existing Machine Learning (ML) techniques leverage the correlations among features…

Machine Learning · Computer Science 2024-01-22 Tarek Ramadan , Ankur Lahiry , Tanzima Z. Islam

Real-world heterogeneous graphs are inherently noisy and usually not in the optimal graph structures for downstream tasks, which often adversely affects the performance of GRL models in downstream tasks. Although Graph Structure Learning…

Machine Learning · Computer Science 2026-04-08 He Zhao , Zhiwei Zeng , Yongwei Wang , Chunyan Miao

Graph neural networks (GNNs) are the predominant approach for graph-based machine learning. While neural networks have shown great performance at learning useful representations, they are often criticized for their limited high-level…

Machine Learning · Computer Science 2024-07-09 Markus Zopf , Francesco Alesiani

Graph data in real-world scenarios undergo rapid and frequent changes, making it challenging for existing graph models to effectively handle the continuous influx of new data and accommodate data withdrawal requests. The approach to…

Machine Learning · Computer Science 2025-08-26 Jiaxing Miao , Liang Hu , Qi Zhang , Longbing Cao

Graphs can model complex relationships between objects, enabling a myriad of Web applications such as online page/article classification and social recommendation. While graph neural networks(GNNs) have emerged as a powerful tool for graph…

Machine Learning · Computer Science 2023-02-28 Zemin Liu , Xingtong Yu , Yuan Fang , Xinming Zhang

The pretrain-transfer paradigm, which underpins the success of large language models (LLMs), has demonstrated the immense power of creating foundation models that learn generalizable representations from vast datasets. However, extending…

Machine Learning · Computer Science 2025-09-30 Yunhao Liang , Pujun Zhang , Yuan Qu , Shaochong Lin , Zuo-jun Max Shen

Graph plays a significant role in representing and analyzing complex relationships in real-world applications such as citation networks, social networks, and biological data. Recently, Large Language Models (LLMs), which have achieved…

Machine Learning · Computer Science 2024-04-25 Yuhan Li , Zhixun Li , Peisong Wang , Jia Li , Xiangguo Sun , Hong Cheng , Jeffrey Xu Yu

Existing defects in software components is unavoidable and leads to not only a waste of time and money but also many serious consequences. To build predictive models, previous studies focus on manually extracting features or using tree…

Software Engineering · Computer Science 2018-02-15 Anh Viet Phan , Minh Le Nguyen , Lam Thu Bui

Developments in Graph-Language Models (GLMs) aim to integrate the structural reasoning capabilities of Graph Neural Networks (GNNs) with the semantic understanding of Large Language Models (LLMs). However, we demonstrate that current…

Computation and Language · Computer Science 2025-08-29 Soham Petkar , Hari Aakash K , Anirudh Vempati , Akshit Sinha , Ponnurangam Kumarauguru , Chirag Agarwal

Due to the advantages of hypergraphs in modeling high-order relationships in complex systems, they have been applied to higher-order clustering, hypergraph neural networks and computer vision. These applications rely heavily on access to…

Social and Information Networks · Computer Science 2025-10-15 Bingqiao Gu , Jiale Zeng , Xingqin Qi , Dong Li