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We argue that Transformers are essentially graph-to-graph models, with sequences just being a special case. Attention weights are functionally equivalent to graph edges. Our Graph-to-Graph Transformer architecture makes this ability…

计算与语言 · 计算机科学 2023-10-30 James Henderson , Alireza Mohammadshahi , Andrei C. Coman , Lesly Miculicich

Existing Graph Neural Networks (GNNs) follow the message-passing mechanism that conducts information interaction among nodes iteratively. While considerable progress has been made, such node interaction paradigms still have the following…

机器学习 · 计算机科学 2023-04-14 Jie Chen , Zilong Li , Yin Zhu , Junping Zhang , Jian Pu

Pretraining plays a pivotal role in acquiring generalized knowledge from large-scale data, achieving remarkable successes as evidenced by large models in CV and NLP. However, progress in the graph domain remains limited due to fundamental…

人工智能 · 计算机科学 2024-06-21 Yu Song , Haitao Mao , Jiachen Xiao , Jingzhe Liu , Zhikai Chen , Wei Jin , Carl Yang , Jiliang Tang , Hui Liu

Graph representation learning (GRL) methods, such as graph neural networks and graph transformer models, have been successfully used to analyze graph-structured data, mainly focusing on node classification and link prediction tasks.…

机器学习 · 计算机科学 2023-08-21 Van Thuy Hoang , O-Joun Lee

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

机器学习 · 计算机科学 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Obtaining a single-vector representation from a Large Language Model's (LLM) token-level outputs is a critical step for nearly all sentence-level tasks. However, standard pooling methods like mean or max aggregation treat tokens as an…

机器学习 · 计算机科学 2026-03-05 Krishna Sri Ipsit Mantri , Carola-Bibiane Schönlieb , Zorah Lähner , Moshe Eliasof

Graph convolutional networks (GCNs) enable end-to-end learning on graph structured data. However, many works assume a given graph structure. When the input graph is noisy or unavailable, one approach is to construct or learn a latent graph…

计算机视觉与模式识别 · 计算机科学 2023-07-19 Avishkar Saha , Oscar Mendez , Chris Russell , Richard Bowden

While Graph Neural Network (GNN) has shown superiority in learning node representations of homogeneous graphs, leveraging GNN on heterogeneous graphs remains a challenging problem. The dominating reason is that GNN learns node…

社会与信息网络 · 计算机科学 2020-09-22 Ziyue Qiao , Pengyang Wang , Yanjie Fu , Yi Du , Pengfei Wang , Yuanchun Zhou

The task of graph node classification is often approached by utilizing a local Graph Neural Network (GNN), that learns only local information from the node input features and their adjacency. In this paper, we propose to improve the…

机器学习 · 计算机科学 2024-06-18 Moshe Eliasof , Eran Treister

Despite the success of Heterogeneous Graph Neural Networks (HGNNs) in modeling real-world Heterogeneous Information Networks (HINs), challenges such as expressiveness limitations and over-smoothing have prompted researchers to explore Graph…

机器学习 · 计算机科学 2024-07-19 Qiuyu Zhu , Liang Zhang , Qianxiong Xu , Kaijun Liu , Cheng Long , Xiaoyang Wang

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

机器学习 · 计算机科学 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

We show that viewing graphs as sets of node features and incorporating structural and positional information into a transformer architecture is able to outperform representations learned with classical graph neural networks (GNNs). Our…

机器学习 · 计算机科学 2021-06-11 Grégoire Mialon , Dexiong Chen , Margot Selosse , Julien Mairal

Graph neural networks (GNNs) are often trained on individual datasets, requiring specialized models and significant hyperparameter tuning due to the unique structures and features of each dataset. This approach limits the scalability and…

机器学习 · 计算机科学 2026-02-17 Divyansha Lachi , Mehdi Azabou , Vinam Arora , Eva Dyer

Multi-graph learning is crucial for extracting meaningful signals from collections of heterogeneous graphs. However, effectively integrating information across graphs with differing topologies, scales, and semantics, often in the absence of…

机器学习 · 计算机科学 2026-02-02 Zahra Moslemi , Ziyi Liang , Norbert Fortin , Babak Shahbaba

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…

The extraction of a scene graph with objects as nodes and mutual relationships as edges is the basis for a deep understanding of image content. Despite recent advances, such as message passing and joint classification, the detection of…

计算机视觉与模式识别 · 计算机科学 2021-07-22 Rajat Koner , Suprosanna Shit , Volker Tresp

The design of Graph Transformers (GTs) generally neglects considerations for fairness, resulting in biased outcomes against certain sensitive subgroups. Since GTs encode graph information without relying on message-passing mechanisms,…

机器学习 · 计算机科学 2024-04-29 Renqiang Luo , Huafei Huang , Shuo Yu , Xiuzhen Zhang , Feng Xia

Graph convolutional network (GCN) is an emerging neural network approach. It learns new representation of a node by aggregating feature vectors of all neighbors in the aggregation process without considering whether the neighbors or…

机器学习 · 计算机科学 2022-04-01 Li Zhang , Heda Song , Nikolaos Aletras , Haiping Lu

Graph neural networks have been extensively studied for learning with inter-connected data. Despite this, recent evidence has revealed GNNs' deficiencies related to over-squashing, heterophily, handling long-range dependencies, edge…

机器学习 · 计算机科学 2023-06-16 Qitian Wu , Wentao Zhao , Zenan Li , David Wipf , Junchi Yan

Transformers have become widely used in various tasks, such as natural language processing and machine vision. This paper proposes Gransformer, an algorithm based on Transformer for generating graphs. We modify the Transformer encoder to…

机器学习 · 计算机科学 2024-06-03 Ahmad Khajenezhad , Seyed Ali Osia , Mahmood Karimian , Hamid Beigy