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Knowledge graph reasoning plays a vital role in various applications and has garnered considerable attention. Recently, path-based methods have achieved impressive performance. However, they may face limitations stemming from constraints in…

Artificial Intelligence · Computer Science 2024-12-18 Junnan Liu , Qianren Mao , Weifeng Jiang , Jianxin Li

The Transformer architecture has become a dominant choice in many domains, such as natural language processing and computer vision. Yet, it has not achieved competitive performance on popular leaderboards of graph-level prediction compared…

Machine Learning · Computer Science 2021-11-25 Chengxuan Ying , Tianle Cai , Shengjie Luo , Shuxin Zheng , Guolin Ke , Di He , Yanming Shen , Tie-Yan Liu

The performance of a deep learning model on a specific task and dataset depends heavily on its neural architecture, motivating considerable efforts to rapidly and accurately identify architectures suited to the target task and dataset. To…

Machine Learning · Computer Science 2025-10-22 Sunwoo Kim , Hyunjin Hwang , Kijung Shin

Neuronal morphology encodes critical information about circuit function, development, and disease, yet current methods analyze topology or graph structure in isolation. We introduce GraPHFormer, a multimodal architecture that unifies these…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Uzair Shah , Marco Agus , Mahmoud Gamal , Mahmood Alzubaidi , Corrado Cali , Pierre J. Magistretti , Abdesselam Bouzerdoum , Mowafa Househ

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

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared…

Machine Learning · Computer Science 2025-12-23 Heng Zhang , Tianyi Zhang , Yuling Shi , Xiaodong Gu , Yaomin Shen , Haochen You , Zijian Zhang , Yilei Yuan , Jin Huang

Generative deep learning has become pivotal in molecular design for drug discovery, materials science, and chemical engineering. A widely used paradigm is to pretrain neural networks on string representations of molecules and fine-tune them…

Machine Learning · Computer Science 2025-03-21 Jonathan Pirnay , Jan G. Rittig , Alexander B. Wolf , Martin Grohe , Jakob Burger , Alexander Mitsos , Dominik G. Grimm

This paper introduces a novel transformer-based network architecture, FlowFormer, along with the Masked Cost Volume AutoEncoding (MCVA) for pretraining it to tackle the problem of optical flow estimation. FlowFormer tokenizes the 4D…

Computer Vision and Pattern Recognition · Computer Science 2023-06-12 Zhaoyang Huang , Xiaoyu Shi , Chao Zhang , Qiang Wang , Yijin Li , Hongwei Qin , Jifeng Dai , Xiaogang Wang , Hongsheng Li

To alleviate the local receptive issue of GCN, Transformers have been exploited to capture the long range dependences of nodes for graph data representation and learning. However, existing graph Transformers generally employ regular…

Machine Learning · Computer Science 2023-05-15 Bo Jiang , Fei Xu , Ziyan Zhang , Jin Tang , Feiping Nie

The representation learning on textual graph is to generate low-dimensional embeddings for the nodes based on the individual textual features and the neighbourhood information. Recent breakthroughs on pretrained language models and graph…

Computation and Language · Computer Science 2023-10-10 Junhan Yang , Zheng Liu , Shitao Xiao , Chaozhuo Li , Defu Lian , Sanjay Agrawal , Amit Singh , Guangzhong Sun , Xing Xie

The remarkable growth and significant success of machine learning have expanded its applications into programming languages and program analysis. However, a key challenge in adopting the latest machine learning methods is the representation…

Programming Languages · Computer Science 2023-12-01 Ali TehraniJamsaz , Quazi Ishtiaque Mahmud , Le Chen , Nesreen K. Ahmed , Ali Jannesari

We introduce optical Flow transFormer, dubbed as FlowFormer, a transformer-based neural network architecture for learning optical flow. FlowFormer tokenizes the 4D cost volume built from an image pair, encodes the cost tokens into a cost…

Computer Vision and Pattern Recognition · Computer Science 2022-09-22 Zhaoyang Huang , Xiaoyu Shi , Chao Zhang , Qiang Wang , Ka Chun Cheung , Hongwei Qin , Jifeng Dai , Hongsheng Li

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

The growing use of deep learning necessitates efficient network design and deployment, making neural predictors vital for estimating attributes such as accuracy and latency. Recently, Graph Neural Networks (GNNs) and transformers have shown…

Machine Learning · Computer Science 2025-07-02 Ruihan Xu , Haokui Zhang , Yaowei Wang , Wei Zeng , Shiliang Zhang

Graph Transformer has demonstrated impressive capabilities in the field of graph representation learning. However, existing approaches face two critical challenges: (1) most models suffer from exponentially increasing computational…

Spectral Graph Neural Networks have demonstrated superior performance in graph representation learning. However, many current methods focus on employing shared polynomial coefficients for all nodes, i.e., learning node-unified filters,…

Machine Learning · Computer Science 2024-07-22 Jiahong Ma , Mingguo He , Zhewei Wei

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

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

Visual encoding and decoding models act as gateways to understanding the neural mechanisms underlying human visual perception. Typically, visual encoding models that predict brain activity from stimuli and decoding models that reproduce…

Machine Learning · Computer Science 2026-04-14 Weijian Mai , Mu Nan , Yu Zhu , Jiahang Cao , Rui Zhang , Yuqin Dai , Chunfeng Song , Andrew F. Luo , Jiamin Wu

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,…

Machine Learning · Computer Science 2024-05-29 Guy Bar-Shalom , Beatrice Bevilacqua , Haggai Maron
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