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Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under…

机器学习 · 计算机科学 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance…

机器学习 · 计算机科学 2023-03-01 Yi-Lun Liao , Tess Smidt

Linear attention mechanisms have emerged as efficient alternatives to full self-attention in Graph Transformers, offering linear time complexity. However, existing linear attention models often suffer from a significant drop in…

计算机视觉与模式识别 · 计算机科学 2026-01-29 Zhaolin Hu , Kun Li , Hehe Fan , Yi Yang

Pretrained transformer models have demonstrated remarkable performance across various natural language processing tasks. These models leverage the attention mechanism to capture long- and short-range dependencies in the sequence. However,…

计算与语言 · 计算机科学 2023-10-20 Qingru Zhang , Dhananjay Ram , Cole Hawkins , Sheng Zha , Tuo Zhao

We introduce a transformer-based GNN model, named UGformer, to learn graph representations. In particular, we present two UGformer variants, wherein the first variant (publicized in September 2019) is to leverage the transformer on a set of…

机器学习 · 计算机科学 2022-03-09 Dai Quoc Nguyen , Tu Dinh Nguyen , Dinh Phung

The recent development of multimodal single-cell technology has made the possibility of acquiring multiple omics data from individual cells, thereby enabling a deeper understanding of cellular states and dynamics. Nevertheless, the…

基因组学 · 定量生物学 2023-10-16 Wenzhuo Tang , Hongzhi Wen , Renming Liu , Jiayuan Ding , Wei Jin , Yuying Xie , Hui Liu , Jiliang Tang

In the realm of Graph Neural Networks (GNNs), two exciting research directions have recently emerged: Subgraph GNNs and Graph Transformers. In this paper, we propose an architecture that integrates both approaches, dubbed Subgraphormer,…

机器学习 · 计算机科学 2024-05-29 Guy Bar-Shalom , Beatrice Bevilacqua , Haggai Maron

Transformers flexibly operate over sets of real-valued vectors representing task-specific entities and their attributes, where each vector might encode one word-piece token and its position in a sequence, or some piece of information that…

机器学习 · 计算机科学 2023-03-14 Cameron Diao , Ricky Loynd

We propose a graph-oriented attention-based explainability method for tabular data. Tasks involving tabular data have been solved mostly using traditional tree-based machine learning models which have the challenges of feature selection and…

机器学习 · 计算机科学 2024-06-05 Andrea Treviño Gavito , Diego Klabjan , Jean Utke

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

Hypergraphs as an expressive and general structure have attracted considerable attention from various research domains. Most existing hypergraph node representation learning techniques are based on graph neural networks, and thus adopt the…

机器学习 · 计算机科学 2023-12-04 Shilin Qu , Weiqing Wang , Yuan-Fang Li , Xin Zhou , Fajie Yuan

Graphs are widely used to model relational data. As graphs are getting larger and larger in real-world scenarios, there is a trend to store and compute subgraphs in multiple local systems. For example, recently proposed \emph{subgraph…

机器学习 · 计算机科学 2024-01-30 Zaixi Zhang , Qingyong Hu , Yang Yu , Weibo Gao , Qi Liu

Recently popularized graph neural networks achieve the state-of-the-art accuracy on a number of standard benchmark datasets for graph-based semi-supervised learning, improving significantly over existing approaches. These architectures…

机器学习 · 统计学 2018-03-13 Kiran K. Thekumparampil , Chong Wang , Sewoong Oh , Li-Jia Li

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

Graph Transformers (GTs) have recently demonstrated remarkable performance across diverse domains. By leveraging attention mechanisms, GTs are capable of modeling long-range dependencies and complex structural relationships beyond local…

机器学习 · 计算机科学 2025-06-06 Jiachen Tang , Zhonghao Wang , Sirui Chen , Sheng Zhou , Jiawei Chen , Jiajun Bu

The growing interest in Temporal Graph Neural Networks (TGNNs) stems from their ability to model complex dynamics and deliver superior performance. However, TGNNs encounter fundamental challenges in capturing long-term dependencies and…

机器学习 · 计算机科学 2026-05-26 Hongjiang Chen , Pengfei Jiao , Ming Du , Xuan Guo , Zhidong Zhao , Di Jin , Xiao Liu

Graph transformers are the state-of-the-art for learning from graph-structured data and are empirically known to avoid several pitfalls of message-passing architectures. However, there is limited theoretical analysis on why these models…

机器学习 · 统计学 2026-03-19 Nil Ayday , Lingchu Yang , Debarghya Ghoshdastidar

We propose a generalization of transformer neural network architecture for arbitrary graphs. The original transformer was designed for Natural Language Processing (NLP), which operates on fully connected graphs representing all connections…

机器学习 · 计算机科学 2021-01-26 Vijay Prakash Dwivedi , Xavier Bresson

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

Transformer has been popular in recent crowd counting work since it breaks the limited receptive field of traditional CNNs. However, since crowd images always contain a large number of similar patches, the self-attention mechanism in…

计算机视觉与模式识别 · 计算机科学 2024-01-09 Hui Lin , Zhiheng Ma , Xiaopeng Hong , Qinnan Shangguan , Deyu Meng