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Large Language Models (LLMs) have demonstrated strong capabilities in various natural language processing tasks; however, their application to graph-related problems remains limited, primarily due to scalability constraints and the absence…

Machine Learning · Computer Science 2025-05-08 Hyun Lee , Chris Yi , Maminur Islam , B. D. S. Aritra

To bridge the gaps between powerful Graph Neural Networks (GNNs) and lightweight Multi-Layer Perceptron (MLPs), GNN-to-MLP Knowledge Distillation (KD) proposes to distill knowledge from a well-trained teacher GNN into a student MLP. In this…

Machine Learning · Computer Science 2024-07-23 Lirong Wu , Yunfan Liu , Haitao Lin , Yufei Huang , Stan Z. Li

Graph representation learning methods are highly effective in handling complex non-Euclidean data by capturing intricate relationships and features within graph structures. However, traditional methods face challenges when dealing with…

Machine Learning · Computer Science 2025-02-25 Hang Gao , Chenhao Zhang , Fengge Wu , Junsuo Zhao , Changwen Zheng , Huaping Liu

With the increasing prevalence of cross-domain Text-Attributed Graph (TAG) Data (e.g., citation networks, recommendation systems, social networks, and ai4science), the integration of Graph Neural Networks (GNNs) and Large Language Models…

Machine Learning · Computer Science 2024-12-18 Xunkai Li , Zhengyu Wu , Jiayi Wu , Hanwen Cui , Jishuo Jia , Rong-Hua Li , Guoren Wang

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

Graph Neural Networks (GNNs) are an emerging research field. This specialized Deep Neural Network (DNN) architecture is capable of processing graph structured data and bridges the gap between graph processing and Deep Learning (DL). As…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

We present a logic based interpretable model for learning on graphs and an algorithm to distill this model from a Graph Neural Network (GNN). Recent results have shown connections between the expressivity of GNNs and the two-variable…

Machine Learning · Computer Science 2024-08-22 Alexander Pluska , Pascal Welke , Thomas Gärtner , Sagar Malhotra

Graph neural networks (GNNs) have shown remarkable performance on diverse graph mining tasks. Although different GNNs can be unified as the same message passing framework, they learn complementary knowledge from the same graph. Knowledge…

Machine Learning · Computer Science 2023-04-06 Zhichun Guo , Chunhui Zhang , Yujie Fan , Yijun Tian , Chuxu Zhang , Nitesh Chawla

Recent studies attempted to utilize multilayer perceptrons (MLPs) to solve semisupervised node classification on graphs, by training a student MLP by knowledge distillation from a teacher graph neural network (GNN). While previous studies…

Machine Learning · Computer Science 2023-11-30 Yong-Min Shin , Won-Yong Shin

Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have observed a strong relationship between model size, dataset size, and performance. However,…

Graph Contrastive Learning (GCL) has emerged as a powerful paradigm for training Graph Neural Networks (GNNs) in the absence of task-specific labels. However, its scalability on large-scale graphs is hindered by the intensive message…

Machine Learning · Computer Science 2025-11-12 Xiang Chen , Kun Yue , Wenjie Liu , Zhenyu Zhang , Liang Duan

Nowadays, Graph Neural Networks (GNNs) following the Message Passing paradigm become the dominant way to learn on graphic data. Models in this paradigm have to spend extra space to look up adjacent nodes with adjacency matrices and extra…

Machine Learning · Computer Science 2021-06-17 Yi Luo , Aiguo Chen , Ke Yan , Ling Tian

Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to acquire. Due to the limited labeled data, it is a great…

Machine Learning · Computer Science 2022-04-01 Yuyang Wang , Jianren Wang , Zhonglin Cao , Amir Barati Farimani

Existing Multimodal Large Language Models (MLLMs) and Visual Language Pretrained Models (VLPMs) have shown remarkable performances in the general Visual Question Answering (VQA). However, these models struggle with VQA questions that…

Computation and Language · Computer Science 2024-11-06 Shuo Yang , Siwen Luo , Soyeon Caren Han

Graph fraud detection has garnered significant attention as Graph Neural Networks (GNNs) have proven effective in modeling complex relationships within multimodal data. However, existing graph fraud detection methods typically use…

Machine Learning · Computer Science 2025-10-03 Tairan Huang , Yili Wang , Qiutong Li , Changlong He , Jianliang Gao

Knowledge distillation (KD) techniques have emerged as a powerful tool for transferring expertise from complex teacher models to lightweight student models, particularly beneficial for deploying high-performance models in…

Machine Learning · Computer Science 2025-10-28 Paul Agbaje , Arkajyoti Mitra , Afia Anjum , Pranali Khose , Ebelechukwu Nwafor , Habeeb Olufowobi

Graph neural networks (GNNs), which are capable of learning representations from graphical data, are naturally suitable for modeling molecular systems. This review introduces GNNs and their various applications for small organic molecules.…

Machine Learning · Computer Science 2023-10-10 Yuyang Wang , Zijie Li , Amir Barati Farimani

Graph representation learning, involving both node features and graph structures, is crucial for real-world applications but often encounters pervasive noise. State-of-the-art methods typically address noise by focusing separately on node…

Machine Learning · Computer Science 2024-10-17 Guangxin Su , Yifan Zhu , Wenjie Zhang , Hanchen Wang , Ying Zhang

To bridge the gaps between topology-aware Graph Neural Networks (GNNs) and inference-efficient Multi-Layer Perceptron (MLPs), GLNN proposes to distill knowledge from a well-trained teacher GNN into a student MLP. Despite their great…

Machine Learning · Computer Science 2023-06-12 Lirong Wu , Haitao Lin , Yufei Huang , Stan Z. Li

Semi-supervised learning on graphs is an important problem in the machine learning area. In recent years, state-of-the-art classification methods based on graph neural networks (GNNs) have shown their superiority over traditional ones such…

Machine Learning · Computer Science 2021-03-05 Cheng Yang , Jiawei Liu , Chuan Shi