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Graph Transformers (GTs) have demonstrated significant advantages in graph representation learning through their global attention mechanisms. However, the self-attention mechanism in GTs tends to neglect the inductive biases inherent in…

Machine Learning · Computer Science 2024-12-04 Lei Yu , Hongyang Chen , Jingsong Lv , Linyao Yang

We present the Topology Transformation Equivariant Representation learning, a general paradigm of self-supervised learning for node representations of graph data to enable the wide applicability of Graph Convolutional Neural Networks…

Machine Learning · Computer Science 2021-12-03 Xiang Gao , Wei Hu , Guo-Jun Qi

Enabling large language models (LLMs) to effectively process and reason with graph-structured data remains a significant challenge despite their remarkable success in natural language tasks. Current approaches either convert graph…

Artificial Intelligence · Computer Science 2025-09-03 Yanbiao Ji , Chang Liu , Xin Chen , Dan Luo , Mei Li , Yue Ding , Wenqing Lin , Hongtao Lu

Recently, the emerging graph Transformers have made significant advancements for node classification on graphs. In most graph Transformers, a crucial step involves transforming the input graph into token sequences as the model input,…

Machine Learning · Computer Science 2024-06-28 Jinsong Chen , Siyu Jiang , Kun He

Graph neural networks (GNNs) provide a powerful and scalable solution for modeling continuous spatial data. However, they often rely on Euclidean distances to construct the input graphs. This assumption can be improbable in many real-world…

Machine Learning · Computer Science 2023-02-20 Konstantin Klemmer , Nathan Safir , Daniel B. Neill

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

Transformers are increasingly employed for graph data, demonstrating competitive performance in diverse tasks. To incorporate graph information into these models, it is essential to enhance node and edge features with positional encodings.…

Graph Neural Networks (GNNs) are versatile, powerful machine learning methods that enable graph structure and feature representation learning, and have applications across many domains. For applications critically requiring interpretation,…

Machine Learning · Computer Science 2020-07-02 Chris Lin , Gerald J. Sun , Krishna C. Bulusu , Jonathan R. Dry , Marylens Hernandez

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

Machine Learning · Computer Science 2024-06-24 Max Wasserman , Gonzalo Mateos

Dynamic graph representation learning has emerged as a crucial research area, driven by the growing need for analyzing time-evolving graph data in real-world applications. While recent approaches leveraging recurrent neural networks (RNNs)…

Machine Learning · Computer Science 2024-10-28 Shengxiang Hu , Guobing Zou , Song Yang , Shiyi Lin , Yanglan Gan , Bofeng Zhang

Graph representation learning has become a crucial task in machine learning and data mining due to its potential for modeling complex structures such as social networks, chemical compounds, and biological systems. Spiking neural networks…

Artificial Intelligence · Computer Science 2024-03-27 Huifeng Yin , Mingkun Xu , Jing Pei , Lei Deng

The emerging graph Transformers have achieved impressive performance for graph representation learning over graph neural networks (GNNs). In this work, we regard the self-attention mechanism, the core module of graph Transformers, as a…

Machine Learning · Computer Science 2023-10-18 Jinsong Chen , Gaichao Li , John E. Hopcroft , Kun He

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…

Machine Learning · Computer Science 2026-02-17 Divyansha Lachi , Mehdi Azabou , Vinam Arora , Eva Dyer

Contemporary graph learning algorithms are not well-defined for large molecules since they do not consider the hierarchical interactions among the atoms, which are essential to determine the molecular properties of macromolecules. In this…

Machine Learning · Computer Science 2023-08-02 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

A foundation model like GPT elicits many emergent abilities, owing to the pre-training with broad inclusion of data and the use of the powerful Transformer architecture. While foundation models in natural languages are prevalent, can we…

Machine Learning · Computer Science 2025-06-18 Ziyuan Tang , Jie Chen

We introduce the Convolutional Set Transformer (CST), a novel neural architecture designed to process image sets of arbitrary cardinality that are visually heterogeneous yet share high-level semantics - such as a common category, scene, or…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Federico Chinello , Giacomo Boracchi

Existing Graph Neural Networks (GNNs) compute the message exchange between nodes by either aggregating uniformly (convolving) the features of all the neighboring nodes, or by applying a non-uniform score (attending) to the features. Recent…

Machine Learning · Computer Science 2023-03-02 Adrián Javaloy , Pablo Sanchez-Martin , Amit Levi , Isabel Valera

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…

Machine Learning · Computer Science 2025-06-06 Jiachen Tang , Zhonghao Wang , Sirui Chen , Sheng Zhou , Jiawei Chen , Jiajun Bu

Graph learning has attracted significant attention due to its widespread real-world applications. Current mainstream approaches rely on text node features and obtain initial node embeddings through shallow embedding learning using GNNs,…

Artificial Intelligence · Computer Science 2025-02-13 Chuanqi Shi , Yiyi Tao , Hang Zhang , Lun Wang , Shaoshuai Du , Yixian Shen , Yanxin Shen

Many NLP applications can be framed as a graph-to-sequence learning problem. Previous work proposing neural architectures on this setting obtained promising results compared to grammar-based approaches but still rely on linearisation…

Computation and Language · Computer Science 2018-06-27 Daniel Beck , Gholamreza Haffari , Trevor Cohn