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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

Multimodal-attributed graphs (MMAGs) provide a unified framework for modeling complex relational data by integrating heterogeneous modalities with graph structures. While centralized learning has shown promising performance, MMAGs in…

Machine Learning · Computer Science 2026-02-02 Xunkai Li , Yuming Ai , Yinlin Zhu , Haodong Lu , Yi Zhang , Guohao Fu , Bowen Fan , Qiangqiang Dai , Rong-Hua Li , Guoren Wang

In order to advance large-scale graph machine learning, the Open Graph Benchmark Large Scale Challenge (OGB-LSC) was proposed at the KDD Cup 2021. The PCQM4M-LSC dataset defines a molecular HOMO-LUMO property prediction task on about 3.8M…

Multimodal-Attributed Graph (MAG) learning has achieved remarkable success in modeling complex real-world systems by integrating graph topology with rich attributes from multiple modalities. With the rapid proliferation of novel MAG models…

Machine Learning · Computer Science 2026-02-06 Chenxi Wan , Xunkai Li , Yilong Zuo , Haokun Deng , Sihan Li , Bowen Fan , Hongchao Qin , Ronghua Li , Guoren Wang

Graph machine learning has gained great attention in both academia and industry recently. Most of the graph machine learning models, such as Graph Neural Networks (GNNs), are trained over massive graph data. However, in many real-world…

Machine Learning · Computer Science 2022-10-19 Xingbo Fu , Binchi Zhang , Yushun Dong , Chen Chen , Jundong Li

Mapping the connectome of the human brain using structural or functional connectivity has become one of the most pervasive paradigms for neuroimaging analysis. Recently, Graph Neural Networks (GNNs) motivated from geometric deep learning…

Neurons and Cognition · Quantitative Biology 2022-11-30 Hejie Cui , Wei Dai , Yanqiao Zhu , Xuan Kan , Antonio Aodong Chen Gu , Joshua Lukemire , Liang Zhan , Lifang He , Ying Guo , Carl Yang

Despite advances in the field of Graph Neural Networks (GNNs), only a small number (~5) of datasets are currently used to evaluate new models. This continued reliance on a handful of datasets provides minimal insight into the performance…

Machine Learning · Computer Science 2022-07-11 John Palowitch , Anton Tsitsulin , Brandon Mayer , Bryan Perozzi

Continual Learning (CL) aims to incrementally acquire new knowledge while mitigating catastrophic forgetting. Within this setting, Online Continual Learning (OCL) focuses on updating models promptly and incrementally from single or small…

Machine Learning · Computer Science 2025-12-19 Giovanni Donghi , Luca Pasa , Daniele Zambon , Cesare Alippi , Nicolò Navarin

Fair graph learning plays a pivotal role in numerous practical applications. Recently, many fair graph learning methods have been proposed; however, their evaluation often relies on poorly constructed semi-synthetic datasets or substandard…

Machine Learning · Computer Science 2024-06-19 Xiaowei Qian , Zhimeng Guo , Jialiang Li , Haitao Mao , Bingheng Li , Suhang Wang , Yao Ma

Large multimodal models (LMMs) have exhibited proficiencies across many visual tasks. Although numerous well-known benchmarks exist to evaluate model performance, they increasingly have insufficient headroom. As such, there is a pressing…

Computer Vision and Pattern Recognition · Computer Science 2025-10-17 Jonathan Roberts , Kai Han , Samuel Albanie

Dynamic text-attributed graphs (DyTAGs) are prevalent in various real-world scenarios, where each node and edge are associated with text descriptions, and both the graph structure and text descriptions evolve over time. Despite their broad…

Artificial Intelligence · Computer Science 2024-11-05 Jiasheng Zhang , Jialin Chen , Menglin Yang , Aosong Feng , Shuang Liang , Jie Shao , Rex Ying

Graph machine learning has been extensively studied in both academic and industry. However, as the literature on graph learning booms with a vast number of emerging methods and techniques, it becomes increasingly difficult to manually…

Machine Learning · Computer Science 2024-05-06 Xin Wang , Ziwei Zhang , Haoyang Li , Wenwu Zhu

Graph-structured data, prevalent in domains ranging from social networks to biochemical analysis, serve as the foundation for diverse real-world systems. While graph neural networks demonstrate proficiency in modeling this type of data,…

Machine Learning · Computer Science 2024-06-21 Wei Ju , Siyu Yi , Yifan Wang , Qingqing Long , Junyu Luo , Zhiping Xiao , Ming Zhang

Road network data provides rich information about cities, but processing worldwide OpenStreetMap (OSM) data is computationally intensive, and the resulting graphs are often difficult to unify for benchmarking downstream tasks. Existing…

Databases · Computer Science 2026-05-22 Guanjie Zheng , Ziyang Su , Yiheng Wang , Yuhang Luo , Hongwei Zhang , Xuanhe Zhou , Linghe Kong , Fan Wu , Wen Ling

Establishing open and general benchmarks has been a critical driving force behind the success of modern machine learning techniques. As machine learning is being applied to broader domains and tasks, there is a need to establish richer and…

Machine Learning · Computer Science 2022-12-12 Jiaqi Ma , Xingjian Zhang , Hezheng Fan , Jin Huang , Tianyue Li , Ting Wei Li , Yiwen Tu , Chenshu Zhu , Qiaozhu Mei

The opioid epidemic continues to ravage communities worldwide, straining healthcare systems, disrupting families, and demanding urgent computational solutions. To combat this lethal opioid crisis, graph learning methods have emerged as a…

Machine Learning · Computer Science 2026-02-17 Tianyi Ma , Yiyang Li , Yiyue Qian , Zheyuan Zhang , Zehong Wang , Chuxu Zhang , Yanfang Ye

There has been rapid growth in biomedical literature, yet capturing the heterogeneity of the bibliographic information of these articles remains relatively understudied. Although graph mining research via heterogeneous graph neural networks…

Machine Learning · Computer Science 2023-08-28 Eric W Lee , Joyce C Ho

Graph Machine Learning (GML) is receiving growing interest within the pharmaceutical and biotechnology industries for its ability to model biomolecular structures, the functional relationships between them, and integrate multi-omic datasets…

Large language models (LLMs) have excelled in various natural language processing tasks, but challenges in interpretability and trustworthiness persist, limiting their use in high-stakes fields. Causal discovery offers a promising approach…

Artificial Intelligence · Computer Science 2024-06-10 Wei Zhou , Hong Huang , Guowen Zhang , Ruize Shi , Kehan Yin , Yuanyuan Lin , Bang Liu

Recent years have seen the advent of molecular simulation datasets that are orders of magnitude larger and more diverse. These new datasets differ substantially in four aspects of complexity: 1. Chemical diversity (number of different…