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Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

Continual Graph Learning (CGL), which aims to accommodate new tasks over evolving graph data without forgetting prior knowledge, is garnering significant research interest. Mainstream solutions adopt the memory replay-based idea, ie,…

Machine Learning · Computer Science 2025-02-11 Qi Wang , Tianfei Zhou , Ye Yuan , Rui Mao

Recently, graph neural networks have been adopted in a wide variety of applications ranging from relational representations to modeling irregular data domains such as point clouds and social graphs. However, the space of graph neural…

Machine Learning · Computer Science 2018-12-14 Marcel Nassar

Graph Neural Networks (GNNs) have gained considerable traction for their capability to effectively process topological data, yet their interpretability remains a critical concern. Current interpretation methods are dominated by post-hoc…

Machine Learning · Computer Science 2024-02-08 Jiahua Rao , Jiancong Xie , Hanjing Lin , Shuangjia Zheng , Zhen Wang , Yuedong Yang

We propose an approach to learning with graph-structured data in the problem domain of graph classification. In particular, we present a novel type of readout operation to aggregate node features into a graph-level representation. To this…

Machine Learning · Computer Science 2021-05-18 Christoph D. Hofer , Florian Graf , Bastian Rieck , Marc Niethammer , Roland Kwitt

One significant challenge of exploiting Graph neural networks (GNNs) in real-life scenarios is that they are always treated as black boxes, therefore leading to the requirement of interpretability. To address this, model-level…

Machine Learning · Computer Science 2025-09-22 Xiao Yue , Guangzhi Qu , Lige Gan

Graphs are a highly expressive data structure, but it is often difficult for humans to find patterns from a complex graph. Hence, generating human-interpretable sequences from graphs have gained interest, called graph2seq learning. It is…

Machine Learning · Computer Science 2022-01-31 Takeshi D. Itoh , Takatomi Kubo , Kazushi Ikeda

Capsule Networks, as alternatives to Convolutional Neural Networks, have been proposed to recognize objects from images. The current literature demonstrates many advantages of CapsNets over CNNs. However, how to create explanations for…

Computer Vision and Pattern Recognition · Computer Science 2021-03-09 Jindong Gu , Volker Tresp

Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns,…

Machine Learning · Computer Science 2025-02-26 Jinluan Yang , Zhengyu Chen , Teng Xiao , Wenqiao Zhang , Yong Lin , Kun Kuang

Graph neural networks (GNNs) based methods have achieved impressive performance on node clustering task. However, they are designed on the homophilic assumption of graph and clustering on heterophilic graph is overlooked. Due to the lack of…

Social and Information Networks · Computer Science 2023-05-09 Erlin Pan , Zhao Kang

Heterogeneous graph neural networks (HGNNs) have demonstrated strong capability in modeling complex semantics across multi-type nodes and relations. However, their scalability to large-scale graphs remains challenging due to structural…

Machine Learning · Computer Science 2025-12-12 Fuyan Ou , Siqi Ai , Yulin Hu

Despite significant advances in graph representation learning, little attention has been paid to the more practical continual learning scenario in which new categories of nodes (e.g., new research areas in citation networks, or new types of…

Machine Learning · Computer Science 2021-12-01 Xikun Zhang , Dongjin Song , Dacheng Tao

Representation learning for graphs enables the application of standard machine learning algorithms and data analysis tools to graph data. Replacing discrete unordered objects such as graph nodes by real-valued vectors is at the heart of…

Machine Learning · Computer Science 2021-02-10 Konstantin Kutzkov

This study presents a hierarchical mining framework for high-dimensional imbalanced data, leveraging a depth graph model to address the inherent performance limitations of conventional approaches in handling complex, high-dimensional data…

Machine Learning · Computer Science 2025-02-07 Yijiashun Qi , Quanchao Lu , Shiyu Dou , Xiaoxuan Sun , Muqing Li , Yankaiqi Li

Graphs can model complicated interactions between entities, which naturally emerge in many important applications. These applications can often be cast into standard graph learning tasks, in which a crucial step is to learn low-dimensional…

Machine Learning · Computer Science 2023-07-04 Xuexin Chen , Ruichu Cai , Yuan Fang , Min Wu , Zijian Li , Zhifeng Hao

Graph embeddings play a critical role in graph representation learning, allowing machine learning models to explore and interpret graph-structured data. However, existing methods often rely on opaque, high-dimensional embeddings, limiting…

Machine Learning · Computer Science 2025-11-26 Astrit Tola , Funmilola Mary Taiwo , Cuneyt Gurcan Akcora , Baris Coskunuzer

Subgraph classification is an emerging field in graph representation learning where the task is to classify a group of nodes (i.e., a subgraph) within a graph. Subgraph classification has applications such as predicting the cellular…

Machine Learning · Computer Science 2023-04-19 Shweta Ann Jacob , Paul Louis , Amirali Salehi-Abari

Traditional Graph Self-Supervised Learning (GSSL) struggles to capture complex structural properties well. This limitation stems from two main factors: (1) the inadequacy of conventional Graph Neural Networks (GNNs) in representing…

Machine Learning · Computer Science 2025-02-25 Asiri Wijesinghe , Hao Zhu , Piotr Koniusz

Deep learning, particularly convolutional neural networks (CNNs), have yielded rapid, significant improvements in computer vision and related domains. But conventional deep learning architectures perform poorly when data have an underlying…

Signal Processing · Electrical Eng. & Systems 2020-12-02 Mark Cheung , John Shi , Oren Wright , Lavender Y. Jiang , Xujin Liu , José M. F. Moura

Persistent homology is a mathematical tool used for studying the shape of data by extracting its topological features. It has gained popularity in network science due to its applicability in various network mining problems, including…

Algebraic Topology · Mathematics 2023-06-21 Mehmet Emin Aktas , Thu Nguyen , Rakin Riza , Muhammad Ifte Islam , Esra Akbas
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