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Graph Transformers have emerged as a powerful alternative to Message-Passing Graph Neural Networks (MP-GNNs) to address limitations such as over-squashing of information exchange. However, incorporating graph inductive bias into transformer…

机器学习 · 计算机科学 2024-04-09 Zihan Pengmei , Zimu Li

Link prediction in heterogeneous networks is crucial for understanding the intricacies of network structures and forecasting their future developments. Traditional methodologies often face significant obstacles, including…

计算工程、金融与科学 · 计算机科学 2025-01-07 Shengming Zhang , Le Zhang , Jingbo Zhou , Hui Xiong

Presently with technology node scaling, an accurate prediction model at early design stages can significantly reduce the design cycle. Especially during logic synthesis, predicting cell congestion due to improper logic combination can…

机器学习 · 计算机科学 2021-11-12 Amur Ghose , Vincent Zhang , Yingxue Zhang , Dong Li , Wulong Liu , Mark Coates

Recently, Graph Neural Networks (GNNs) have gained popularity in a variety of real-world scenarios. Despite the great success, the architecture design of GNNs heavily relies on manual labor. Thus, automated graph neural network (AutoGNN)…

机器学习 · 计算机科学 2021-12-03 Zhili Wang , Shimin Di , Lei Chen

Link prediction is central to many real-world applications, but its performance may be hampered when the graph of interest is sparse. To alleviate issues caused by sparsity, we investigate a previously overlooked phenomenon: in many cases,…

机器学习 · 计算机科学 2023-06-21 Wenqing Zheng , Edward W Huang , Nikhil Rao , Zhangyang Wang , Karthik Subbian

The message-passing mechanism underlying Graph Neural Networks (GNNs) is not naturally suited for heterophilic datasets, where adjacent nodes often have different labels. Most solutions to this problem remain confined to the task of node…

机器学习 · 计算机科学 2025-06-30 Andrea Giuseppe Di Francesco , Francesco Caso , Maria Sofia Bucarelli , Fabrizio Silvestri

Graph Neural Networks (GNNs) often struggle to capture the link-specific structural patterns crucial for accurate link prediction, as their node-centric message-passing schemes overlook the subgraph structures connecting a pair of nodes.…

机器学习 · 计算机科学 2025-07-11 Francesco Ferrini , Veronica Lachi , Antonio Longa , Bruno Lepri , Andrea Passerini

Transformer based models, especially large language models (LLMs) dominate the field of NLP with their mass adoption in tasks such as text generation, summarization and fake news detection. These models offer ease of deployment and…

计算与语言 · 计算机科学 2025-11-21 Darpan Aswal , Manjira Sinha

The growing use of deep learning necessitates efficient network design and deployment, making neural predictors vital for estimating attributes such as accuracy and latency. Recently, Graph Neural Networks (GNNs) and transformers have shown…

机器学习 · 计算机科学 2025-07-02 Ruihan Xu , Haokui Zhang , Yaowei Wang , Wei Zeng , Shiliang Zhang

The dominant paradigm for relation prediction in knowledge graphs involves learning and operating on latent representations (i.e., embeddings) of entities and relations. However, these embedding-based methods do not explicitly capture the…

机器学习 · 计算机科学 2020-02-13 Komal K. Teru , Etienne Denis , William L. Hamilton

Transformers have achieved remarkable success across domains, motivating the rise of Graph Transformers (GTs) as attention-based architectures for graph-structured data. A key design choice in GTs is the use of Graph Neural Network…

机器学习 · 计算机科学 2026-05-29 Javier Porras-Valenzuela , Zhiyang Wang , Xiaotao Shang , Yusu Wang , Alejandro Ribeiro

Graph Neural Networks (GNNs) are well-suited for learning on homophilous graphs, i.e., graphs in which edges tend to connect nodes of the same type. Yet, achievement of consistent GNN performance on heterophilous graphs remains an open…

机器学习 · 计算机科学 2023-08-30 Andrea Cavallo , Claas Grohnfeldt , Michele Russo , Giulio Lovisotto , Luca Vassio

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

机器学习 · 计算机科学 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

Graph neural networks (GNNs) largely rely on the message-passing paradigm, where nodes iteratively aggregate information from their neighbors. Yet, standard message passing neural networks (MPNNs) face well-documented theoretical and…

机器学习 · 计算机科学 2026-05-15 Juan Amboage , Ernst Röell , Patrick Schnider , Bastian Rieck

In recent years, graph neural networks (GNNs) combined with variants of recurrent neural networks (RNNs) have reached state-of-the-art performance in spatiotemporal forecasting tasks. This is particularly the case for traffic forecasting,…

机器学习 · 计算机科学 2022-09-09 Naghmeh Shafiee Roudbari , Zachary Patterson , Ursula Eicker , Charalambos Poullis

Graph Neural Networks (GNNs) have demonstrated remarkable success in various applications, yet they often struggle to capture long-range dependencies (LRD) effectively. This paper introduces GraphMinNet, a novel GNN architecture that…

机器学习 · 计算机科学 2025-02-04 Md Atik Ahamed , Andrew Cheng , Qiang Ye , Qiang Cheng

Learning to compute, the ability to model the functional behavior of a circuit graph, is a fundamental challenge for graph representation learning. Yet, the dominant paradigm is architecturally mismatched for this task. This flawed…

人工智能 · 计算机科学 2026-02-10 Ziyang Zheng , Jiaying Zhu , Jingyi Zhou , Qiang Xu

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

机器学习 · 计算机科学 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Graph neural networks (GNNs) have been widely adopted in engineering applications such as social network analysis, chemical research and computer vision. However, their efficacy is severely compromised by the inherent homophily assumption,…

机器学习 · 计算机科学 2026-04-13 Yi Luo , Xu Sun , Guangchun Luo , Aiguo Chen

Graph Transformers (GTs) have demonstrated a strong capability in modeling graph structures by addressing the intrinsic limitations of graph neural networks (GNNs), such as over-smoothing and over-squashing. Recent studies have proposed…