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Despite that going deep has proven successful in many neural architectures, the existing graph transformers are relatively shallow. In this work, we explore whether more layers are beneficial to graph transformers, and find that current…

机器学习 · 计算机科学 2023-03-02 Haiteng Zhao , Shuming Ma , Dongdong Zhang , Zhi-Hong Deng , Furu Wei

Transformers have achieved remarkable success across natural language processing (NLP) and computer vision (CV). However, deep transformer models often suffer from an over-smoothing issue, in which token representations converge to similar…

机器学习 · 计算机科学 2025-10-21 Satoshi Noguchi , Yoshinobu Kawahara

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…

机器学习 · 计算机科学 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Session-based recommendation systems suggest relevant items to users by modeling user behavior and preferences using short-term anonymous sessions. Existing methods leverage Graph Neural Networks (GNNs) that propagate and aggregate…

信息检索 · 计算机科学 2022-01-10 Sai Mitheran , Abhinav Java , Surya Kant Sahu , Arshad Shaikh

The self-attention mechanism, a cornerstone of Transformer-based state-of-the-art deep learning architectures, is largely heuristic-driven and fundamentally challenging to interpret. Establishing a robust theoretical foundation to explain…

计算机视觉与模式识别 · 计算机科学 2026-02-10 Laziz U. Abdullaev , Maksim Tkachenko , Tan M. Nguyen

Transductive tasks on graphs differ fundamentally from typical supervised machine learning tasks, as the independent and identically distributed (i.i.d.) assumption does not hold among samples. Instead, all train/test/validation samples are…

机器学习 · 计算机科学 2024-11-21 Hamed Shirzad , Honghao Lin , Ameya Velingker , Balaji Venkatachalam , David Woodruff , Danica Sutherland

The Transformer architecture has recently gained considerable attention in the field of graph representation learning, as it naturally overcomes several limitations of Graph Neural Networks (GNNs) with customized attention mechanisms or…

机器学习 · 计算机科学 2025-04-01 Jianqing Liang , Min Chen , Jiye Liang

Graph neural networks are powerful architectures for structured datasets. However, current methods struggle to represent long-range dependencies. Scaling the depth or width of GNNs is insufficient to broaden receptive fields as larger GNNs…

机器学习 · 计算机科学 2022-01-24 Zhanghao Wu , Paras Jain , Matthew A. Wright , Azalia Mirhoseini , Joseph E. Gonzalez , Ion Stoica

Skeleton-based action recognition aims to recognize human actions given human joint coordinates with skeletal interconnections. By defining a graph with joints as vertices and their natural connections as edges, previous works successfully…

计算机视觉与模式识别 · 计算机科学 2023-03-23 Yuxuan Zhou , Zhi-Qi Cheng , Chao Li , Yanwen Fang , Yifeng Geng , Xuansong Xie , Margret Keuper

We present a generalization of Transformers to any-order permutation invariant data (sets, graphs, and hypergraphs). We begin by observing that Transformers generalize DeepSets, or first-order (set-input) permutation invariant MLPs. Then,…

机器学习 · 计算机科学 2022-01-25 Jinwoo Kim , Saeyoon Oh , Seunghoon Hong

Dynamic graph learning plays a pivotal role in modeling evolving relationships over time, especially for temporal link prediction tasks in domains such as traffic systems, social networks, and recommendation platforms. While…

机器学习 · 计算机科学 2025-11-18 Tao Zou , Chengfeng Wu , Tianxi Liao , Junchen Ye , Bowen Du

Graph Transformers (GTs) have demonstrated their advantages across a wide range of tasks. However, the self-attention mechanism in GTs overlooks the graph's inductive biases, particularly biases related to structure, which are crucial for…

机器学习 · 计算机科学 2024-04-25 Chuang Liu , Zelin Yao , Yibing Zhan , Xueqi Ma , Shirui Pan , Wenbin Hu

Transformers have achieved remarkable performance in a myriad of fields including natural language processing and computer vision. However, when it comes to the graph mining area, where graph neural network (GNN) has been the dominant…

机器学习 · 计算机科学 2021-10-26 Jianan Zhao , Chaozhuo Li , Qianlong Wen , Yiqi Wang , Yuming Liu , Hao Sun , Xing Xie , Yanfang Ye

Transformers have demonstrated great success in numerous domains including natural language processing and bioinformatics. This success stems from the use of the attention mechanism by these models in order to represent and propagate…

机器学习 · 计算机科学 2025-02-10 Nathaniel Tomczak , Sanmukh Kuppannagari

We establish connections between the Transformer architecture, originally introduced for natural language processing, and Graph Neural Networks (GNNs) for representation learning on graphs. We show how Transformers can be viewed as message…

机器学习 · 计算机科学 2025-06-30 Chaitanya K. Joshi

Oversmoothing in Graph Neural Networks (GNNs) refers to the phenomenon where increasing network depth leads to homogeneous node representations. While previous work has established that Graph Convolutional Networks (GCNs) exponentially lose…

机器学习 · 计算机科学 2024-06-05 Xinyi Wu , Amir Ajorlou , Zihui Wu , Ali Jadbabaie

Graph Attention Networks (GATs) are the state-of-the-art neural architecture for representation learning with graphs. GATs learn attention functions that assign weights to nodes so that different nodes have different influences in the…

机器学习 · 计算机科学 2019-10-29 Guangtao Wang , Rex Ying , Jing Huang , Jure Leskovec

Graphs have become a central representation in machine learning for capturing relational and structured data across various domains. Traditional graph neural networks often struggle to capture long-range dependencies between nodes due to…

机器学习 · 计算机科学 2025-08-26 Leon Dimitrov

Transformer is a ubiquitous model for natural language processing and has attracted wide attentions in computer vision. The attention maps are indispensable for a transformer model to encode the dependencies among input tokens. However,…

机器学习 · 计算机科学 2021-02-26 Yujing Wang , Yaming Yang , Jiangang Bai , Mingliang Zhang , Jing Bai , Jing Yu , Ce Zhang , Gao Huang , Yunhai Tong

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