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Transformers, adapted from natural language processing, are emerging as a leading approach for graph representation learning. Contemporary graph transformers often treat nodes or edges as separate tokens. This approach leads to…

Machine Learning · Computer Science 2023-10-04 Zihan Pengmei , Zimu Li , Chih-chan Tien , Risi Kondor , Aaron R. Dinner

Reasoning over Knowledge Graphs (KGs) plays a pivotal role in knowledge graph completion or question answering systems, providing richer and more accurate triples and attributes. As numerical attributes become increasingly essential in…

Artificial Intelligence · Computer Science 2025-04-22 Ze Zhao , Bin Lu , Xiaoying Gan , Gu Tang , Luoyi Fu , Xinbing 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

Users interacting with voice assistants today need to phrase their requests in a very specific manner to elicit an appropriate response. This limits the user experience, and is partly due to the lack of reasoning capabilities of dialogue…

Computation and Language · Computer Science 2022-03-22 Yi-Lin Tuan , Sajjad Beygi , Maryam Fazel-Zarandi , Qiaozi Gao , Alessandra Cervone , William Yang Wang

The success of a specific neural network architecture is closely tied to the dataset and task it tackles; there is no one-size-fits-all solution. Thus, considerable efforts have been made to quickly and accurately estimate the performances…

Machine Learning · Computer Science 2024-03-22 Dongyeong Hwang , Hyunju Kim , Sunwoo Kim , Kijung Shin

Learning representations on large-sized graphs is a long-standing challenge due to the inter-dependence nature involved in massive data points. Transformers, as an emerging class of foundation encoders for graph-structured data, have shown…

Machine Learning · Computer Science 2024-08-19 Qitian Wu , Wentao Zhao , Chenxiao Yang , Hengrui Zhang , Fan Nie , Haitian Jiang , Yatao Bian , Junchi Yan

There has been a recent surge in transformer-based architectures for learning on graphs, mainly motivated by attention as an effective learning mechanism and the desire to supersede handcrafted operators characteristic of message passing…

Machine Learning · Computer Science 2025-06-10 David Buterez , Jon Paul Janet , Dino Oglic , Pietro Lio

A few models have tried to tackle the link prediction problem, also known as knowledge graph completion, by embedding knowledge graphs in comparably lower dimensions. However, the state-of-the-art results are attained at the cost of…

Machine Learning · Computer Science 2022-11-29 Peyman Baghershahi , Reshad Hosseini , Hadi Moradi

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…

Machine Learning · Computer Science 2024-06-05 Andrea Treviño Gavito , Diego Klabjan , Jean Utke

The Transformer architecture has gained growing attention in graph representation learning recently, as it naturally overcomes several limitations of graph neural networks (GNNs) by avoiding their strict structural inductive biases and…

Machine Learning · Statistics 2022-06-14 Dexiong Chen , Leslie O'Bray , Karsten Borgwardt

Graph Transformer (GT), as a special type of Graph Neural Networks (GNNs), utilizes multi-head attention to facilitate high-order message passing. However, this also imposes several limitations in node classification applications: 1) nodes…

Machine Learning · Computer Science 2024-10-16 Jiajun Zhou , Xuanze Chen , Chenxuan Xie , Yu Shanqing , Qi Xuan , Xiaoniu Yang

Despite the success of Transformer models in vision and language tasks, they often learn knowledge from enormous data implicitly and cannot utilize structured input data directly. On the other hand, structured learning approaches such as…

Computer Vision and Pattern Recognition · Computer Science 2023-05-02 Xuehai He , Xin Eric Wang

Transformer-based language models have achieved impressive success in various natural language processing tasks due to their ability to capture complex dependencies and contextual information using self-attention mechanisms. However, they…

Computation and Language · Computer Science 2023-06-26 Kaushik Roy , Yuxin Zi , Vignesh Narayanan , Manas Gaur , Amit Sheth

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…

Computation and Language · Computer Science 2023-10-30 James Henderson , Alireza Mohammadshahi , Andrei C. Coman , Lesly Miculicich

Recurrent Neural Networks were, until recently, one of the best ways to capture the timely dependencies in sequences. However, with the introduction of the Transformer, it has been proven that an architecture with only attention-mechanisms…

Machine Learning · Computer Science 2021-08-19 Radostin Cholakov , Todor Kolev

Rule mining is an effective approach for reasoning over knowledge graph (KG). Existing works mainly concentrate on mining rules. However, there might be several rules that could be applied for reasoning for one relation, and how to select…

Logic in Computer Science · Computer Science 2022-09-14 Zezhong Xu , Peng Ye , Hui Chen , Meng Zhao , Huajun Chen , Wen Zhang

Graph Transformers typically rely on explicit positional or structural encodings and dense global attention to incorporate graph topology. In this work, we show that neither is essential. We introduce HopFormer, a graph Transformer that…

Machine Learning · Computer Science 2026-02-03 Sanggeon Yun , Raheeb Hassan , Ryozo Masukawa , Sungheon Jeong , Mohsen Imani

Knowledge graph (KG) embeddings have been a mainstream approach for reasoning over incomplete KGs. However, limited by their inherently shallow and static architectures, they can hardly deal with the rising focus on complex logical queries,…

Machine Learning · Computer Science 2022-08-17 Xiao Liu , Shiyu Zhao , Kai Su , Yukuo Cen , Jiezhong Qiu , Mengdi Zhang , Wei Wu , Yuxiao Dong , Jie Tang

Predicting pedestrian motion trajectories is crucial for path planning and motion control of autonomous vehicles. Accurately forecasting crowd trajectories is challenging due to the uncertain nature of human motions in different…

Computer Vision and Pattern Recognition · Computer Science 2024-01-11 Yu Liu , Yuexin Zhang , Kunming Li , Yongliang Qiao , Stewart Worrall , You-Fu Li , He Kong

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…

Machine Learning · Computer Science 2023-06-16 Qitian Wu , Wentao Zhao , Zenan Li , David Wipf , Junchi Yan
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