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Graph Neural Networks (GNNs) are popular models for graph learning problems. GNNs show strong empirical performance in many practical tasks. However, the theoretical properties have not been completely elucidated. In this paper, we…

Machine Learning · Computer Science 2024-03-26 Ryoma Sato

Link prediction is a classical problem in graph analysis with many practical applications. For directed graphs, recently developed deep learning approaches typically analyze node similarities through contrastive learning and aggregate…

Machine Learning · Computer Science 2025-06-26 Yuyang Zhang , Xu Shen , Yu Xie , Ka-Chun Wong , Weidun Xie , Chengbin Peng

Graph neural networks (GNN) are deep learning architectures for graphs. Essentially, a GNN is a distributed message passing algorithm, which is controlled by parameters learned from data. It operates on the vertices of a graph: in each…

Logic in Computer Science · Computer Science 2024-05-21 Martin Grohe , Eran Rosenbluth

Neural-symbolic computing has now become the subject of interest of both academic and industry research laboratories. Graph Neural Networks (GNN) have been widely used in relational and symbolic domains, with widespread application of GNNs…

Artificial Intelligence · Computer Science 2021-06-15 Luis C. Lamb , Artur Garcez , Marco Gori , Marcelo Prates , Pedro Avelar , Moshe Vardi

Link prediction is one of the central problems in graph mining. However, recent studies highlight the importance of higher-order network analysis, where complex structures called motifs are the first-class citizens. We first show that…

Graph Neural Networks share with Logic Programming several key relational inference mechanisms. The datasets on which they are trained and evaluated can be seen as database facts containing ground terms. This makes possible modeling their…

Logic in Computer Science · Computer Science 2022-08-08 Paul Tarau

The expressivity of Graph Neural Networks (GNNs) has been studied broadly in recent years to reveal the design principles for more powerful GNNs. Graph canonization is known as a typical approach to distinguish non-isomorphic graphs, yet…

Machine Learning · Computer Science 2024-02-12 Zehao Dong , Muhan Zhang , Philip R. O. Payne , Michael A Province , Carlos Cruchaga , Tianyu Zhao , Fuhai Li , Yixin Chen

Graph Neural Networks (GNNs) often struggle with noisy edges. We propose Latent Space Constrained Graph Neural Networks (LSC-GNN) to incorporate external "clean" links and guide embeddings of a noisy target graph. We train two encoders--one…

Machine Learning · Computer Science 2025-07-09 Chunhui Gu , Mohammad Sadegh Nasr , James P. Long , Kim-Anh Do , Ehsan Irajizad

Similarity search is a fundamental task for exploiting information in various applications dealing with graph data, such as citation networks or knowledge graphs. While this task has been intensively approached from heuristics to graph…

Machine Learning · Computer Science 2026-05-12 Daniel Daza , Cuong Xuan Chu , Trung-Kien Tran , Daria Stepanova , Michael Cochez , Paul Groth

The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured…

Machine Learning · Computer Science 2022-06-10 Zepeng Zhang , Ziping Zhao

Graph-structured data is ubiquitous in practice and often processed using graph neural networks (GNNs). With the adoption of recent laws ensuring the ``right to be forgotten'', the problem of graph data removal has become of significant…

Machine Learning · Computer Science 2022-11-01 Eli Chien , Chao Pan , Olgica Milenkovic

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

Explainability techniques for Graph Neural Networks still have a long way to go compared to explanations available for both neural and decision decision tree-based models trained on tabular data. Using a task that straddles both graphs and…

Machine Learning · Computer Science 2021-06-25 Anjali Singh , Shamanth R Nayak K , Balaji Ganesan

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over structured data, including text-attributed graphs (TAGs), which are common in domains such as citation networks, social platforms, and knowledge graphs. GNNs are…

Machine Learning · Computer Science 2026-04-23 Peyman Baghershahi , Gregoire Fournier , Pranav Nyati , Sourav Medya

Transparency and accountability have become major concerns for black-box machine learning (ML) models. Proper explanations for the model behavior increase model transparency and help researchers develop more accountable models. Graph neural…

Machine Learning · Computer Science 2023-05-09 Shichang Zhang , Jiani Zhang , Xiang Song , Soji Adeshina , Da Zheng , Christos Faloutsos , Yizhou Sun

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

Graph Neural Networks (GNNs) are widely used for node classification, yet their opaque decision-making limits trust and adoption. While local explanations offer insights into individual predictions, global explanation methods, those that…

Machine Learning · Computer Science 2025-10-30 Burouj Armgaan , Eshan Jain , Harsh Pandey , Mahesh Chandran , Sayan Ranu

Graph Neural Networks (GNNs) has been widely used in a variety of fields because of their great potential in representing graph-structured data. However, lacking of rigorous uncertainty estimations limits their application in high-stakes.…

Machine Learning · Computer Science 2025-01-07 Ting Wang , Zhixin Zhou , Rui Luo

While graph kernels (GKs) are easy to train and enjoy provable theoretical guarantees, their practical performances are limited by their expressive power, as the kernel function often depends on hand-crafted combinatorial features of…

Machine Learning · Computer Science 2019-11-05 Simon S. Du , Kangcheng Hou , Barnabás Póczos , Ruslan Salakhutdinov , Ruosong Wang , Keyulu Xu

We introduce Graph-Structured Sum-Product Networks (GraphSPNs), a probabilistic approach to structured prediction for problems where dependencies between latent variables are expressed in terms of arbitrary, dynamic graphs. While many…

Machine Learning · Computer Science 2017-11-23 Kaiyu Zheng , Andrzej Pronobis , Rajesh P. N. Rao