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Graph classification aims to extract accurate information from graph-structured data for classification and is becoming more and more important in graph learning community. Although Graph Neural Networks (GNNs) have been successfully…

Machine Learning · Computer Science 2020-06-24 Ning Ma , Jiajun Bu , Jieyu Yang , Zhen Zhang , Chengwei Yao , Zhi Yu , Sheng Zhou , Xifeng Yan

Modern supervised learning neural network models require a large amount of manually labeled data, which makes the construction of domain-specific knowledge graphs time-consuming and labor-intensive. In parallel, although there has been much…

Graph neural networks (GNNs) have significantly improved the representation power for graph-structured data. Despite of the recent success of GNNs, the graph convolution in most GNNs have two limitations. Since the graph convolution is…

Machine Learning · Computer Science 2021-12-30 Jinyoung Park , Sungdong Yoo , Jihwan Park , Hyunwoo J. Kim

Directed graphs naturally model systems with asymmetric, ordered relationships, essential to applications in biology, transportation, social networks, and visual understanding. Generating such graphs enables tasks such as simulation, data…

Machine Learning · Computer Science 2026-02-20 Alba Carballo-Castro , Manuel Madeira , Yiming Qin , Dorina Thanou , Pascal Frossard

Graph Neural Networks (GNNs) have emerged as a powerful tool to capture intricate network patterns, achieving success across different domains. However, existing GNNs require careful domain-specific architecture designs and training from…

Machine Learning · Computer Science 2025-05-30 Jingzhe Liu , Haitao Mao , Zhikai Chen , Bingheng Li , Wenqi Fan , Mingxuan Ju , Tong Zhao , Neil Shah , Jiliang Tang

Current applications have produced graphs on the order of hundreds of thousands of nodes and millions of edges. To take advantage of such graphs, one must be able to find patterns, outliers and communities. These tasks are better performed…

Social and Information Networks · Computer Science 2015-05-29 Jose F. Rodrigues , Hanghang Tong , Jia-Yu Pan , Agma J. M. Traina , Caetano Traina , Christos Faloutsos

Graph signals are functions of the underlying graph. When the edge-weight between a pair of nodes is high, the corresponding signals generally have a higher correlation. As a result, the signals can be represented in terms of a graph-based…

Signal Processing · Electrical Eng. & Systems 2024-09-09 Rishabh Ravi , Kaushani Majumder , Kalp Vyas , Satish Mulleti

Our work is concerned with the generation and targeted design of RNA, a type of genetic macromolecule that can adopt complex structures which influence their cellular activities and functions. The design of large scale and complex…

Biomolecules · Quantitative Biology 2021-02-02 Zichao Yan , William L. Hamilton , Mathieu Blanchette

$\textbf{Graph Coarsening (GC)}$ is a prominent graph reduction technique that compresses large graphs to enable efficient learning and inference. However, existing GC methods generate only one coarsened graph per run and must recompute…

Social and Information Networks · Computer Science 2025-05-23 Mohit Kataria , Shreyash Bhilwade , Sandeep Kumar , Jayadeva

The processes of constructing some graphs from others using binary operations of union with intersection (gluing) are studied. For graph classes closed with respect to gluing operations the elemental and operational bases are introduced.…

Combinatorics · Mathematics 2020-11-24 M. A. Iordanski

Molecular de novo design is a critical yet challenging task in scientific fields, aiming to design novel molecular structures with desired property profiles. Significant progress has been made by resorting to generative models for graphs.…

Machine Learning · Computer Science 2023-05-16 Yiheng Zhu , Zhenqiu Ouyang , Ben Liao , Jialu Wu , Yixuan Wu , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

Graphs can represent relational information among entities and graph structures are widely used in many intelligent tasks such as search, recommendation, and question answering. However, most of the graph-structured data in practice suffers…

Information Retrieval · Computer Science 2021-12-30 Hanxiong Chen , Yunqi Li , Shaoyun Shi , Shuchang Liu , He Zhu , Yongfeng Zhang

Graph-structured data exhibit substantial heterogeneity in where their predictive signals originate: in some domains, node-level semantics dominate, while in others, structural patterns play a central role. This structure-semantics…

Computation and Language · Computer Science 2026-04-03 Safal Thapaliya , Zehong Wang , Jiazheng Li , Ziming Li , Yanfang Ye , Chuxu Zhang

We propose a general modeling and inference framework that composes probabilistic graphical models with deep learning methods and combines their respective strengths. Our model family augments graphical structure in latent variables with…

Machine Learning · Statistics 2017-07-10 Matthew J. Johnson , David Duvenaud , Alexander B. Wiltschko , Sandeep R. Datta , Ryan P. Adams

Large Language Models (LLMs) have shown strong potential for tabular data generation by modeling textualized feature-value pairs. However, tabular data inherently exhibits sparse feature-level dependencies, where many feature interactions…

Computation and Language · Computer Science 2025-09-09 Zheyu Zhang , Shuo Yang , Bardh Prenkaj , Gjergji Kasneci

Structure aware graph generation aims to generate graphs that satisfy given topological properties. It has applications in domains such as drug discovery, social network modeling, and knowledge graph construction. Unlike existing methods…

Artificial Intelligence · Computer Science 2026-05-05 Nidhi Vakil , Hadi Amiri

Self-supervised learning (SSL) on graphs generates node and graph representations (i.e., embeddings) that can be used for downstream tasks such as node classification, node clustering, and link prediction. Graph SSL is particularly useful…

Machine Learning · Computer Science 2025-09-26 Jiali Chen , Avijit Mukherjee

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

Machine Learning · Computer Science 2021-11-02 Tetsu Kasanishi , Xueting Wang , Toshihiko Yamasaki

Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a…

Machine Learning · Computer Science 2023-02-14 Zehao Niu , Mihai Anitescu , Jie Chen

Graph neural networks (GNNs) face significant challenges with class imbalance, leading to biased inference results. To address this issue in heterogeneous graphs, we propose a novel framework that combines Graph Neural Network (GNN) and…

Machine Learning · Computer Science 2024-11-26 Hung-Chun Hsu , Bo-Jun Wu , Ming-Yi Hong , Che Lin , Chih-Yu Wang
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