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Graph Neural Networks (GNNs) often struggle in preserving high-frequency components of nodal signals when dealing with directed graphs. Such components are crucial for modeling flow dynamics, without which a traditional GNN tends to treat a…

Machine Learning · Computer Science 2025-06-09 Haoyang Jiang , Jindong Wang , Xingquan Zhu , Yi He

Graph neural networks (GNNs) aim to learn well-trained representations in a lower-dimension space for downstream tasks while preserving the topological structures. In recent years, attention mechanism, which is brilliant in the fields of…

Social and Information Networks · Computer Science 2026-05-12 Chengcheng Sun , Chenhao Li , Xiang Lin , Tianji Zheng , Fanrong Meng , Xiaobin Rui , Zhixiao Wang

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

We aim to better understand attention over nodes in graph neural networks (GNNs) and identify factors influencing its effectiveness. We particularly focus on the ability of attention GNNs to generalize to larger, more complex or noisy…

Machine Learning · Computer Science 2019-10-29 Boris Knyazev , Graham W. Taylor , Mohamed R. Amer

Graph Neural Networks (GNNs) have shown tremendous strides in performance for graph-structured problems especially in the domains of natural language processing, computer vision and recommender systems. Inspired by the success of the…

Machine Learning · Computer Science 2022-06-08 Kaustubh D. Dhole , Carl Yang

Graph Neural Networks (GNNs) have been highly successful for the node classification task. GNNs typically assume graphs are homophilic, i.e. neighboring nodes are likely to belong to the same class. However, a number of real-world graphs…

Machine Learning · Computer Science 2024-09-20 Yurui Lai , Taiyan Zhang , Rui Fan

While the expressive power and computational capabilities of graph neural networks (GNNs) have been theoretically studied, their optimization and learning dynamics, in general, remain largely unexplored. Our study undertakes the Graph…

Machine Learning · Computer Science 2023-10-26 Nimrah Mustafa , Aleksandar Bojchevski , Rebekka Burkholz

With the increased penetration of wind energy into the power grid, it has become increasingly important to be able to predict the expected power production for larger wind farms. Deep learning (DL) models can learn complex patterns in the…

Machine Learning · Computer Science 2022-06-07 Lars Ødegaard Bentsen , Narada Dilp Warakagoda , Roy Stenbro , Paal Engelstad

Graph neural networks (GNNs) learn the representation of graph-structured data, and their expressiveness can be further enhanced by inferring node relations for propagation. Attention-based GNNs infer neighbor importance to manipulate the…

Machine Learning · Computer Science 2023-06-06 Soo Yong Lee , Fanchen Bu , Jaemin Yoo , Kijung Shin

Graph Neural Networks (GNNs) have emerged as the de facto standard for modeling graph data, with attention mechanisms and transformers significantly enhancing their performance on graph-based tasks. Despite these advancements, the…

Machine Learning · Computer Science 2025-04-07 Nikhil Shivakumar Nayak

Graph Neural Networks (GNN) has demonstrated the superior performance in many challenging applications, including the few-shot learning tasks. Despite its powerful capacity to learn and generalize the model from few samples, GNN usually…

Machine Learning · Computer Science 2020-10-05 Hao Cheng , Joey Tianyi Zhou , Wee Peng Tay , Bihan Wen

Graph representation learning has become a crucial task in machine learning and data mining due to its potential for modeling complex structures such as social networks, chemical compounds, and biological systems. Spiking neural networks…

Artificial Intelligence · Computer Science 2024-03-27 Huifeng Yin , Mingkun Xu , Jing Pei , Lei Deng

Machine learning on graphs, especially using graph neural networks (GNNs), has seen a surge in interest due to the wide availability of graph data across a broad spectrum of disciplines, from life to social and engineering sciences. Despite…

Graph Neural Networks (GNNs) are powerful to learn the representation of graph-structured data. Most of the GNNs use the message-passing scheme, where the embedding of a node is iteratively updated by aggregating the information of its…

Machine Learning · Computer Science 2020-07-28 Shuo Zhang , Lei Xie

Graph Neural Networks (GNNs) have become important tools for machine learning on graph-structured data. In this paper, we explore the synergistic combination of graph encoding, graph rewiring, and graph attention, by introducing Graph…

Machine Learning · Computer Science 2025-03-18 Tongzhou Liao , Barnabás Póczos

Accurate and efficient power flow (PF) analysis is crucial in modern electrical networks' operation and planning. Therefore, there is a need for scalable algorithms that can provide accurate and fast solutions for both small and large scale…

Machine Learning · Computer Science 2024-02-14 Nan Lin , Stavros Orfanoudakis , Nathan Ordonez Cardenas , Juan S. Giraldo , Pedro P. Vergara

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power.…

Machine Learning · Computer Science 2025-01-13 Bingxu Zhang , Changjun Fan , Shixuan Liu , Kuihua Huang , Xiang Zhao , Jincai Huang , Zhong Liu

Attention mechanisms have become a cornerstone in modern neural networks, driving breakthroughs across diverse domains. However, their application to graph structured data, where capturing topological connections is essential, remains…

Machine Learning · Computer Science 2025-09-19 Xuanting Xie , Bingheng Li , Erlin Pan , Rui Hou , Wenyu Chen , Zhao Kang

Machine learning is gaining growing momentum in various recent models for the dynamic analysis of information flows in data communications networks. These preliminary models often rely on off-the-shelf learning models to predict from…

Machine Learning · Computer Science 2023-04-04 Xiangle Cheng , James He , Shihan Xiao , Yingxue Zhang , Zhitang Chen , Pascal Poupart , Fenglin Li
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