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We revisit the effectiveness of topological descriptors for molecular graph classification and design a simple, yet strong baseline. We demonstrate that a simple approach to feature engineering - employing histogram aggregation of edge…

Machine Learning · Computer Science 2024-07-24 Jakub Adamczyk , Wojciech Czech

Inferring missing links or detecting spurious ones based on observed graphs, known as link prediction, is a long-standing challenge in graph data analysis. With the recent advances in deep learning, graph neural networks have been used for…

Social and Information Networks · Computer Science 2023-01-03 Xingping Xian , Tao Wu , Xiaoke Ma , Shaojie Qiao , Yabin Shao , Chao Wang , Lin Yuan , Yu Wu

The rise of massive networks across diverse domains necessitates sophisticated graph analytics, often involving sensitive data and raising privacy concerns. This paper addresses these challenges using local differential privacy (LDP), which…

Data Structures and Algorithms · Computer Science 2025-08-28 Pranay Mundra , Charalampos Papamanthou , Julian Shun , Quanquan C. Liu

Conformal prediction (CP) provides a distribution-free approach to uncertainty quantification with finite-sample guarantees. However, applying CP to graph neural networks (GNNs) remains challenging as the combinatorial nature of graphs…

Machine Learning · Computer Science 2026-05-11 Peyman Baghershahi , Fangxin Wang , Debmalya Mandal , Sourav Medya

Graph neural networks (GNNs) have emerged as a powerful tool for graph classification and representation learning. However, GNNs tend to suffer from over-smoothing problems and are vulnerable to graph perturbations. To address these…

Machine Learning · Computer Science 2021-11-01 Yuzhou Chen , Baris Coskunuzer , Yulia R. Gel

The task of graph node classification is often approached by utilizing a local Graph Neural Network (GNN), that learns only local information from the node input features and their adjacency. In this paper, we propose to improve the…

Machine Learning · Computer Science 2024-06-18 Moshe Eliasof , Eran Treister

Graphs are complex objects that do not lend themselves easily to typical learning tasks. Recently, a range of approaches based on graph kernels or graph neural networks have been developed for graph classification and for representation…

Machine Learning · Computer Science 2022-05-19 Chen Cai , Yusu Wang

Dynamic graphs serve as a generic abstraction and description of the evolutionary behaviors of various complex systems (e.g., social networks and communication networks). Temporal link prediction (TLP) is a classic yet challenging inference…

Social and Information Networks · Computer Science 2023-06-30 Meng Qin , Dit-Yan Yeung

Graph Neural Networks (GNNs) have been predominant for graph learning tasks; however, recent studies showed that a well-known graph algorithm, Label Propagation (LP), combined with a shallow neural network can achieve comparable performance…

Machine Learning · Computer Science 2022-12-01 Zhiqiang Zhong , Sergey Ivanov , Jun Pang

Recently, large language models (LLMs) have been widely researched in the field of graph machine learning due to their outstanding abilities in language comprehension and learning. However, the significant gap between natural language tasks…

Artificial Intelligence · Computer Science 2024-06-21 Zhong Guan , Hongke Zhao , Likang Wu , Ming He , Jianpin Fan

Link prediction (LP), inferring the connectivity between nodes, is a significant research area in graph data, where a link represents essential information on relationships between nodes. Although graph neural network (GNN)-based models…

Machine Learning · Computer Science 2025-12-12 Junwon You , Eunwoo Heo , Jae-Hun Jung

Recent studies have underscored the capabilities of natural imaging foundation models to serve as powerful feature extractors, even in a zero-shot setting for medical imaging data. Most commonly, a shallow multi-layer perceptron (MLP) is…

Computer Vision and Pattern Recognition · Computer Science 2024-07-25 Johannes Kiechle , Daniel M. Lang , Stefan M. Fischer , Lina Felsner , Jan C. Peeken , Julia A. Schnabel

Graph classification benchmarks, vital for assessing and developing graph neural networks (GNNs), have recently been scrutinized, as simple methods like MLPs have demonstrated comparable performance. This leads to an important question: Do…

Machine Learning · Computer Science 2024-08-14 Zhengdao Li , Yong Cao , Kefan Shuai , Yiming Miao , Kai Hwang

Recent efforts leverage Large Language Models (LLMs) for modeling text-attributed graph structures in node classification tasks. These approaches describe graph structures for LLMs to understand or aggregate LLM-generated textual attribute…

Computation and Language · Computer Science 2025-05-27 Huachi Zhou , Jiahe Du , Chuang Zhou , Chang Yang , Yilin Xiao , Yuxuan Xie , Xiao Huang

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies aim to improve the overall LP performance of GNNs, none have explored its varying performance across…

Machine Learning · Computer Science 2023-10-10 Yu Wang , Tong Zhao , Yuying Zhao , Yunchao Liu , Xueqi Cheng , Neil Shah , Tyler Derr

Link prediction is a crucial task in many downstream applications of graph machine learning. To this end, Graph Neural Network (GNN) is a widely used technique for link prediction, mainly in transductive settings, where the goal is to…

Machine Learning · Computer Science 2025-03-06 Ahmed E. Samy , Zekarias T. Kefato , Sarunas Girdzijauskas

Learning fair graph representations for downstream applications is becoming increasingly important, but existing work has mostly focused on improving fairness at the global level by either modifying the graph structure or objective function…

Social and Information Networks · Computer Science 2022-12-26 April Chen , Ryan Rossi , Nedim Lipka , Jane Hoffswell , Gromit Chan , Shunan Guo , Eunyee Koh , Sungchul Kim , Nesreen K. Ahmed

Learning a graph topology to reveal the underlying relationship between data entities plays an important role in various machine learning and data analysis tasks. Under the assumption that structured data vary smoothly over a graph, the…

Machine Learning · Statistics 2023-08-23 Xingyue Pu , Tianyue Cao , Xiaoyun Zhang , Xiaowen Dong , Siheng Chen

Topology identification and inference of processes evolving over graphs arise in timely applications involving brain, transportation, financial, power, as well as social and information networks. This chapter provides an overview of graph…

Signal Processing · Electrical Eng. & Systems 2025-12-12 Gonzalo Mateos , Yanning Shen , Georgios B. Giannakis , Ananthram Swami

The latest advancements in large language models (LLMs) have revolutionized the field of natural language processing (NLP). Inspired by the success of LLMs in NLP tasks, some recent work has begun investigating the potential of applying…

Artificial Intelligence · Computer Science 2025-02-25 Shengyin Sun , Yuxiang Ren , Jiehao Chen , Chen Ma
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