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Graph Neural Networks (GNNs) have emerged as the predominant approach for learning over graph-structured data. However, most GNNs operate as black-box models and require post-hoc explanations, which may not suffice in high-stakes scenarios…

Machine Learning · Computer Science 2025-10-14 Maya Bechler-Speicher , Amir Globerson , Ran Gilad-Bachrach

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

Machine Learning · Computer Science 2019-06-28 KiJung Yoon , Renjie Liao , Yuwen Xiong , Lisa Zhang , Ethan Fetaya , Raquel Urtasun , Richard Zemel , Xaq Pitkow

Graph Neural Networks (GNNs) have recently emerged as a robust framework for graph-structured data. They have been applied to many problems such as knowledge graph analysis, social networks recommendation, and even Covid19 detection and…

Software Engineering · Computer Science 2022-01-04 Thanh-Dat Nguyen , Thanh Le-Cong , ThanhVu H. Nguyen , Xuan-Bach D. Le , Quyet-Thang Huynh

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

Graph Neural Networks (GNNs) have emerged as powerful representation learning tools for capturing complex dependencies within diverse graph-structured data. Despite their success in a wide range of graph mining tasks, GNNs have raised…

Machine Learning · Computer Science 2024-06-19 Wenzhao Jiang , Hao Liu , Hui Xiong

Pre-trained graph models (PGMs) aim to capture transferable inherent structural properties and apply them to different downstream tasks. Similar to pre-trained language models, PGMs also inherit biases from human society, resulting in…

Machine Learning · Computer Science 2024-02-21 Zhongjian Zhang , Mengmei Zhang , Yue Yu , Cheng Yang , Jiawei Liu , Chuan Shi

Unraveling the complexities of Gene Regulatory Networks (GRNs) is crucial for understanding cellular processes and disease mechanisms. Traditional computational methods often struggle with the dynamic nature of these networks. This study…

Machine Learning · Computer Science 2025-03-04 Hakan T. Otal , Abdulhamit Subasi , Furkan Kurt , M. Abdullah Canbaz , Yasin Uzun

Many applications of machine learning require a model to make accurate pre-dictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training. An effective approach to…

Machine Learning · Computer Science 2020-02-20 Weihua Hu , Bowen Liu , Joseph Gomes , Marinka Zitnik , Percy Liang , Vijay Pande , Jure Leskovec

We demonstrate a declarative differentiable programming framework based on the language of Lifted Relational Neural Networks, where small parameterized logic programs are used to encode relational learning scenarios. When presented with…

Machine Learning · Computer Science 2021-10-22 Gustav Sourek , Filip Zelezny , Ondrej Kuzelka

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

The rapid expansion of Internet of Things (IoT) ecosystems has led to increasingly complex and heterogeneous network topologies. Traditional network monitoring and visualization tools rely on aggregated metrics or static representations,…

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

Graph neural networks have demonstrated excellent applicability to a wide range of domains, including social networks, biological systems, recommendation systems, and wireless communications. Yet a principled theoretical understanding of…

Machine Learning · Computer Science 2026-04-14 Xinping Yi

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

Machine Learning · Computer Science 2021-06-15 Susheel Suresh , Vinith Budde , Jennifer Neville , Pan Li , Jianzhu Ma

Graph neural networks (GNNs) have various practical applications, such as drug discovery, recommendation engines, and chip design. However, GNNs lack transparency as they cannot provide understandable explanations for their predictions. To…

Machine Learning · Computer Science 2023-06-09 Samidha Verma , Burouj Armgaan , Sourav Medya , Sayan Ranu

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Many complex systems are composed of interacting parts, and the underlying laws are usually simple and universal. While graph neural networks provide a useful relational inductive bias for modeling such systems, generalization to new system…

Machine Learning · Computer Science 2022-11-21 Zhe Li , Andreas S. Tolias , Xaq Pitkow

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

Graph Neural Networks (GNNs) are able to achieve high classification accuracy on many important real world datasets, but provide no rigorous notion of predictive uncertainty. Quantifying the confidence of GNN models is difficult due to the…

Machine Learning · Statistics 2024-01-10 Jase Clarkson

Graph neural networks (GNNs) have led to major breakthroughs in a variety of domains such as drug discovery, social network analysis, and travel time estimation. However, they lack interpretability which hinders human trust and thereby…

Machine Learning · Computer Science 2023-12-05 Jonas Jürß , Lucie Charlotte Magister , Pietro Barbiero , Pietro Liò , Nikola Simidjievski
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