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Graph neural networks (GNNs) have demonstrated remarkable capabilities in learning from graph-structured data, often outperforming traditional Multilayer Perceptrons (MLPs) in numerous graph-based tasks. Although existing works have…

Machine Learning · Computer Science 2025-06-09 Wei Huang , Yuan Cao , Haonan Wang , Xin Cao , Taiji Suzuki

In recent years, Graph Neural Networks (GNNs) have been utilized for various applications ranging from drug discovery to network design and social networks. In many applications, it is impossible to observe some properties of the graph…

Machine Learning · Computer Science 2025-03-12 Moshe Eliasof , Md Shahriar Rahim Siddiqui , Carola-Bibiane Schönlieb , Eldad Haber

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Machine Learning · Computer Science 2020-03-10 Henrique Lemos , Marcelo Prates , Pedro Avelar , Luis Lamb

Graph neural networks (GNNs) rely mainly on the message-passing paradigm to propagate node features and build interactions, and different graph learning problems require different ranges of node interactions. In this work, we explore the…

Machine Learning · Computer Science 2026-01-08 Fang Wu , Siyuan Li , Stan Z. Li

Flood models inform strategic disaster management by simulating the spatiotemporal hydrodynamics of flooding. While physics-based numerical flood models are accurate, their substantial computational cost limits their use in operational…

Graph Neural Networks (GNNs) have established themselves as a key component in addressing diverse graph-based tasks. Despite their notable successes, GNNs remain susceptible to input perturbations in the form of adversarial attacks. This…

Machine Learning · Computer Science 2024-09-13 Moshe Eliasof , Davide Murari , Ferdia Sherry , Carola-Bibiane Schönlieb

General-purpose simulators have accelerated the development of robots. Traditional simulators based on first-principles, however, typically require full-state observability or depend on parameter search for system identification. This work…

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

Machine Learning · Computer Science 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

Machine Learning · Computer Science 2022-05-23 Davide Buffelli , Fabio Vandin

Reservoir simulations are computationally expensive in the well control and well placement optimization. Generally, numerous simulation runs (realizations) are needed in order to achieve the optimal well locations. In this paper, we propose…

Machine Learning · Computer Science 2022-03-23 Haoyu Tang , Wennan Long

Graph Convolutional Networks (GCN) is a pioneering model for graph-based semi-supervised learning. However, GCN does not perform well on sparsely-labeled graphs. Its two-layer version cannot effectively propagate the label information to…

Machine Learning · Computer Science 2025-02-24 Wei Ye , Zexi Huang , Yunqi Hong , Ambuj Singh

Deep neural networks (DNNs) achieve state-of-the-art performance on many tasks, but this often requires increasingly larger model sizes, which in turn leads to more complex internal representations. Explainability techniques (XAI) have made…

Machine Learning · Computer Science 2026-01-30 Tom Pelletreau-Duris , Ruud van Bakel , Michael Cochez

Recent advancements in graph learning have revolutionized the way to understand and analyze data with complex structures. Notably, Graph Neural Networks (GNNs), i.e. neural network architectures designed for learning graph representations,…

Machine Learning · Computer Science 2024-07-09 Yu Huang , Min Zhou , Menglin Yang , Zhen Wang , Muhan Zhang , Jie Wang , Hong Xie , Hao Wang , Defu Lian , Enhong Chen

Graph neural networks (GNN) have shown outstanding applications in many fields where data is fundamentally represented as graphs (e.g., chemistry, biology, recommendation systems). In this vein, communication networks comprise many…

Dynamic Graph Neural Networks (GNNs) combine temporal information with GNNs to capture structural, temporal, and contextual relationships in dynamic graphs simultaneously, leading to enhanced performance in various applications. As the…

Machine Learning · Computer Science 2024-05-02 ZhengZhao Feng , Rui Wang , TianXing Wang , Mingli Song , Sai Wu , Shuibing He

Modeling and simulation of complex fluid flows with dynamics that span multiple spatio-temporal scales is a fundamental challenge in many scientific and engineering domains. Full-scale resolving simulations for systems such as highly…

Machine Learning · Computer Science 2025-02-13 Han Gao , Sebastian Kaltenbach , Petros Koumoutsakos

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

Machine Learning · Computer Science 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

Graph Neural Networks (GNNs) have emerged as a powerful tool to learn from graph-structured data. A paramount example of such data is the brain, which operates as a network, from the micro-scale of neurons, to the macro-scale of regions.…

Machine Learning · Computer Science 2022-11-17 Ahmed ElGazzar , Rajat Thomas , Guido van Wingen

Knowledge distillation, a technique recently gaining popularity for enhancing model generalization in Convolutional Neural Networks (CNNs), operates under the assumption that both teacher and student models are trained on identical data…

Machine Learning · Computer Science 2024-12-06 Can Wang , Zhe Wang , Defang Chen , Sheng Zhou , Yan Feng , Chun Chen