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Natural Language Processing (NLP) has witnessed a transformative leap with the advent of transformer-based architectures, which have significantly enhanced the ability of machines to understand and generate human-like text. This paper…

Computation and Language · Computer Science 2025-03-27 Tianhao Wu , Yu Wang , Ngoc Quach

Graph-based recommendation has achieved great success in recent years. The classical graph recommendation model utilizes ID embedding to store essential collaborative information. However, this ID-based paradigm faces challenges in…

Information Retrieval · Computer Science 2026-05-12 Yiwen Chen , Yiqing Wu , Huishi Luo , Fuzhen Zhuang , Deqing Wang , Zhao Zhang

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…

Machine Learning · Computer Science 2025-06-30 Chaitanya K. Joshi

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

Designing accurate deep learning models for molecular property prediction plays an increasingly essential role in drug and material discovery. Recently, due to the scarcity of labeled molecules, self-supervised learning methods for learning…

Biomolecules · Quantitative Biology 2022-06-08 Han Li , Dan Zhao , Jianyang Zeng

We propose a framework that automatically transforms non-scalable GNNs into precomputation-based GNNs which are efficient and scalable for large-scale graphs. The advantages of our framework are two-fold; 1) it transforms various…

Machine Learning · Computer Science 2022-07-26 Seiji Maekawa , Yuya Sasaki , George Fletcher , Makoto Onizuka

Recently, Transformer model, which has achieved great success in many artificial intelligence fields, has demonstrated its great potential in modeling graph-structured data. Till now, a great variety of Transformers has been proposed to…

Machine Learning · Computer Science 2022-02-18 Erxue Min , Runfa Chen , Yatao Bian , Tingyang Xu , Kangfei Zhao , Wenbing Huang , Peilin Zhao , Junzhou Huang , Sophia Ananiadou , Yu Rong

In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materials science, and have shown significant improvements in…

Materials Science · Physics 2025-03-04 Shuyi Jia , Shitij Govil , Manav Ramprasad , Victor Fung

Learning on text-attributed graphs (TAGs), in which nodes are associated with one or more texts, has been the subject of much recent work. However, most approaches tend to make strong assumptions about the downstream task of interest, are…

Computation and Language · Computer Science 2024-07-11 William Brannon , Wonjune Kang , Suyash Fulay , Hang Jiang , Brandon Roy , Deb Roy , Jad Kabbara

While Graph Neural Networks (GNNs) and Large Language Models (LLMs) are powerful approaches for learning on Text-Attributed Graphs (TAGs), a comprehensive understanding of their robustness remains elusive. Current evaluations are…

Machine Learning · Computer Science 2025-10-21 Runlin Lei , Lu Yi , Mingguo He , Pengyu Qiu , Zhewei Wei , Yongchao Liu , Chuntao Hong

Graph Transformer is gaining increasing attention in the field of machine learning and has demonstrated state-of-the-art performance on benchmarks for graph representation learning. However, as current implementations of Graph Transformer…

Machine Learning · Computer Science 2023-05-08 Wenhao Zhu , Tianyu Wen , Guojie Song , Xiaojun Ma , Liang Wang

In recent years, large language models (LLMs) have demonstrated remarkable generalization capabilities across various natural language processing (NLP) tasks. Similarly, graph foundation models (GFMs) have emerged as a promising direction…

Machine Learning · Computer Science 2025-05-20 Jianxiang Yu , Jiapeng Zhu , Hao Qian , Ziqi Liu , Zhiqiang Zhang , Xiang Li

Recent work on Graph Neural Networks has demonstrated that self-supervised pretraining can further enhance performance on downstream graph, link, and node classification tasks. However, the efficacy of pretraining tasks has not been fully…

Machine Learning · Computer Science 2023-03-28 Jonathan Pilault , Michael Galkin , Bahare Fatemi , Perouz Taslakian , David Vasquez , Christopher Pal

The remarkable success of large language models (LLMs) has motivated researchers to adapt them as universal predictors for various graph-related tasks, with the ultimate goal of developing a graph foundation model that generalizes diverse…

Computation and Language · Computer Science 2026-03-03 Zhongjian Zhang , Xiao Wang , Mengmei Zhang , Jiarui Tan , Chuan Shi

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

Data-to-text (D2T) generation aims to transform structured data into natural language text. Data-to-text pre-training has proved to be powerful in enhancing D2T generation and yields impressive performances. However, previous pre-training…

Computation and Language · Computer Science 2024-01-03 Shujie Li , Liang Li , Ruiying Geng , Min Yang , Binhua Li , Guanghu Yuan , Wanwei He , Shao Yuan , Can Ma , Fei Huang , Yongbin Li

Discovering distinct features and their relations from data can help us uncover valuable knowledge crucial for various tasks, e.g., classification. In neuroimaging, these features could help to understand, classify, and possibly prevent…

Machine Learning · Computer Science 2022-02-15 Usman Mahmood , Zening Fu , Vince Calhoun , Sergey Plis

Data-to-text generation has recently attracted substantial interests due to its wide applications. Existing methods have shown impressive performance on an array of tasks. However, they rely on a significant amount of labeled data for each…

Computation and Language · Computer Science 2020-10-13 Wenhu Chen , Yu Su , Xifeng Yan , William Yang Wang

Can pre-trained BERT for one language and GPT for another be glued together to translate texts? Self-supervised training using only monolingual data has led to the success of pre-trained (masked) language models in many NLP tasks. However,…

Computation and Language · Computer Science 2021-09-14 Zewei Sun , Mingxuan Wang , Lei Li

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…

Machine Learning · Computer Science 2021-01-26 Vijay Prakash Dwivedi , Xavier Bresson
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