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Molecular graph representation learning is widely used in chemical and biomedical research. While pre-trained 2D graph encoders have demonstrated strong performance, they overlook the rich molecular domain knowledge associated with…

Machine Learning · Computer Science 2025-10-09 Xingtong Yu , Chang Zhou , Xinming Zhang , Yuan Fang

Federated graph learning (FGL) is a promising distributed training paradigm for graph neural networks across multiple local systems without direct data sharing. This approach inherently involves large-scale distributed graph processing,…

Machine Learning · Computer Science 2025-01-22 Xunkai Li , Yinlin Zhu , Boyang Pang , Guochen Yan , Yeyu Yan , Zening Li , Zhengyu Wu , Wentao Zhang , Rong-Hua Li , Guoren Wang

Although graph-based learning has attracted a lot of attention, graph representation learning is still a challenging task whose resolution may impact key application fields such as chemistry or biology. To this end, we introduce GRALE, a…

Machine Learning · Computer Science 2025-10-21 Paul Krzakala , Gabriel Melo , Charlotte Laclau , Florence d'Alché-Buc , Rémi Flamary

Textual graphs are ubiquitous in real-world applications, featuring rich text information with complex relationships, which enables advanced research across various fields. Textual graph representation learning aims to generate…

Machine Learning · Computer Science 2024-08-22 Wenbin Hu , Huihao Jing , Qi Hu , Haoran Li , Yangqiu Song

Node classification on graphs is of great importance in many applications. Due to the limited labeling capability and evolution in real-world open scenarios, novel classes can emerge on unlabeled testing nodes. However, little attention has…

Machine Learning · Computer Science 2024-04-01 Yucheng Jin , Yun Xiong , Juncheng Fang , Xixi Wu , Dongxiao He , Xing Jia , Bingchen Zhao , Philip Yu

Recently, large language models (LLMs) have significantly advanced text-attributed graph (TAG) learning. However, existing methods inadequately handle data uncertainty in open-world scenarios, especially concerning limited labeling and…

Machine Learning · Computer Science 2025-05-22 Yanzhe Wen , Xunkai Li , Qi Zhang , Zhu Lei , Guang Zeng , Rong-Hua Li , Guoren Wang

The (variational) graph auto-encoder is widely used to learn representations for graph-structured data. However, the formation of real-world graphs is a complicated and heterogeneous process influenced by latent factors. Existing encoders…

Machine Learning · Computer Science 2024-07-17 Di Fan , Chuanhou Gao

Graph clustering has been popularly studied in recent years. However, most existing graph clustering methods focus on node-level clustering, i.e., grouping nodes in a single graph into clusters. In contrast, graph-level clustering, i.e.,…

Machine Learning · Computer Science 2023-11-27 Mengling Hu , Chaochao Chen , Weiming Liu , Xinyi Zhang , Xinting Liao , Xiaolin Zheng

How can we train graph-based models to recognize unseen classes while keeping labeling costs low? Graph open-set learning (GOL) and out-of-distribution (OOD) detection aim to address this challenge by training models that can accurately…

Machine Learning · Computer Science 2025-05-12 Haoyan Xu , Kay Liu , Zhengtao Yao , Philip S. Yu , Mengyuan Li , Kaize Ding , Yue Zhao

Continual learning on graph data has recently attracted paramount attention for its aim to resolve the catastrophic forgetting problem on existing tasks while adapting the sequentially updated model to newly emerged graph tasks. While there…

Machine Learning · Computer Science 2024-02-20 Xikun Zhang , Dongjin Song , Dacheng Tao

Generative graph self-supervised learning (SSL) aims to learn node representations by reconstructing the input graph data. However, most existing methods focus on unsupervised learning tasks only and very few work has shown its superiority…

Machine Learning · Computer Science 2023-02-08 Xiang Li , Tiandi Ye , Caihua Shan , Dongsheng Li , Ming Gao

Continual learning~(CL) is a field concerned with learning a series of inter-related task with the tasks typically defined in the sense of either regression or classification. In recent years, CL has been studied extensively when these…

Machine Learning · Computer Science 2023-11-07 Krishnan Raghavan , Prasanna Balaprakash

Contrastive learning has been widely applied to graph representation learning, where the view generators play a vital role in generating effective contrastive samples. Most of the existing contrastive learning methods employ pre-defined…

Machine Learning · Computer Science 2022-01-04 Yihang Yin , Qingzhong Wang , Siyu Huang , Haoyi Xiong , Xiang Zhang

The recent emergence of contrastive learning approaches facilitates the application on graph representation learning (GRL), introducing graph contrastive learning (GCL) into the literature. These methods contrast semantically similar and…

Machine Learning · Computer Science 2022-06-03 Ganqu Cui , Yufeng Du , Cheng Yang , Jie Zhou , Liang Xu , Xing Zhou , Xingyi Cheng , Zhiyuan Liu

We propose Graph Contrastive Learning (GraphCL), a general framework for learning node representations in a self supervised manner. GraphCL learns node embeddings by maximizing the similarity between the representations of two randomly…

Machine Learning · Computer Science 2020-07-17 Hakim Hafidi , Mounir Ghogho , Philippe Ciblat , Ananthram Swami

Graphs are essential for modeling complex interactions across domains such as social networks, biology, and recommendation systems. Traditional Graph Neural Networks, particularly Message Passing Neural Networks (MPNNs), rely heavily on…

Machine Learning · Computer Science 2025-06-13 Wei Li , Mengcheng Lan , Jiaxing Xu , Yiping Ke

Graph machine learning has been extensively studied in both academia and industry. However, in the literature, most existing graph machine learning models are designed to conduct training with data samples in a random order, which may…

Machine Learning · Computer Science 2024-03-14 Haoyang Li , Xin Wang , Wenwu Zhu

Online Continual Learning (OCL) is a critical area in machine learning, focusing on enabling models to adapt to evolving data streams in real-time while addressing challenges such as catastrophic forgetting and the stability-plasticity…

Self-supervised heterogeneous graph learning (SHGL) has shown promising potential in diverse scenarios. However, while existing SHGL methods share a similar essential with clustering approaches, they encounter two significant limitations:…

Artificial Intelligence · Computer Science 2024-12-03 Yujie Mo , Zhihe Lu , Runpeng Yu , Xiaofeng Zhu , Xinchao Wang

Object-Centric Learning (OCL) aims to discover objects in images or videos by reconstructing the input. Representative methods achieve this by reconstructing the input as its Variational Autoencoder (VAE) discrete representations, which…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Rongzhen Zhao , Vivienne Wang , Juho Kannala , Joni Pajarinen