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Graph Neural Networks (GNNs) have gained traction in the complex domain of drug discovery because of their ability to process graph-structured data such as drug molecule models. This approach has resulted in a myriad of methods and models…

Machine Learning · Computer Science 2025-09-10 Katherine Berry , Liang Cheng

Learning on Graphs has attracted immense attention due to its wide real-world applications. The most popular pipeline for learning on graphs with textual node attributes primarily relies on Graph Neural Networks (GNNs), and utilizes shallow…

Machine Learning · Computer Science 2024-01-17 Zhikai Chen , Haitao Mao , Hang Li , Wei Jin , Hongzhi Wen , Xiaochi Wei , Shuaiqiang Wang , Dawei Yin , Wenqi Fan , Hui Liu , Jiliang Tang

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Artificial Intelligence · Computer Science 2023-01-31 Chenqing Hua , Sitao Luan , Qian Zhang , Jie Fu

Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on molecular graphs, GNNs offer an intuitive and expressive…

Biomolecules · Quantitative Biology 2025-06-10 Odin Zhang , Haitao Lin , Xujun Zhang , Xiaorui Wang , Zhenxing Wu , Qing Ye , Weibo Zhao , Jike Wang , Kejun Ying , Yu Kang , Chang-yu Hsieh , Tingjun Hou

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Real data collected from different applications that have additional topological structures and connection information are amenable to be represented as a weighted graph. Considering the node labeling problem, Graph Neural Networks (GNNs)…

Social and Information Networks · Computer Science 2020-02-06 Xiaoxiao Li , Joao Saude

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

Machine Learning · Computer Science 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

Deep learning methods are achieving ever-increasing performance on many artificial intelligence tasks. A major limitation of deep models is that they are not amenable to interpretability. This limitation can be circumvented by developing…

Machine Learning · Computer Science 2022-07-05 Hao Yuan , Haiyang Yu , Shurui Gui , Shuiwang Ji

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

Text classification is fundamental in natural language processing (NLP), and Graph Neural Networks (GNN) are recently applied in this task. However, the existing graph-based works can neither capture the contextual word relationships within…

Computation and Language · Computer Science 2020-05-13 Yufeng Zhang , Xueli Yu , Zeyu Cui , Shu Wu , Zhongzhen Wen , Liang Wang

Deep neural networks have enabled researchers to create powerful generalized frameworks, such as transformers, that can be used to solve well-studied problems in various application domains, such as text and image. However, such generalized…

Machine Learning · Computer Science 2025-02-12 Rudrajit Dawn , Madhusudan Ghosh , Partha Basuchowdhuri , Sudip Kumar Naskar

Pre-training of neural networks has recently revolutionized the field of Natural Language Processing (NLP) and has before demonstrated its effectiveness in computer vision. At the same time, advances around the detection of fake news were…

Computation and Language · Computer Science 2024-02-29 Gregor Donabauer , Udo Kruschwitz

Graph neural networks provide a powerful toolkit for embedding real-world graphs into low-dimensional spaces according to specific tasks. Up to now, there have been several surveys on this topic. However, they usually lay emphasis on…

Machine Learning · Computer Science 2022-02-28 Yu Zhou , Haixia Zheng , Xin Huang , Shufeng Hao , Dengao Li , Jumin Zhao

Large language models (LLMs) are increasingly adopted for a variety of tasks with implicit graphical structures, such as planning in robotics, multi-hop question answering or knowledge probing, structured commonsense reasoning, and more.…

Computation and Language · Computer Science 2024-01-09 Heng Wang , Shangbin Feng , Tianxing He , Zhaoxuan Tan , Xiaochuang Han , Yulia Tsvetkov

Graph Neural Networks (GNNs) are a form of deep learning that enable a wide range of machine learning applications on graph-structured data. The learning of GNNs, however, is known to pose challenges for memory-constrained devices such as…

Machine Learning · Computer Science 2023-05-01 Jeroen Bollen , Jasper Steegmans , Jan Van den Bussche , Stijn Vansummeren

Graph Neural Networks (GNNs) have gained significant attention owing to their ability to handle graph-structured data and the improvement in practical applications. However, many of these models prioritize high utility performance, such as…

Machine Learning · Computer Science 2023-09-20 Yi Zhang , Yuying Zhao , Zhaoqing Li , Xueqi Cheng , Yu Wang , Olivera Kotevska , Philip S. Yu , Tyler Derr

Natural Language Processing (NLP) is widely used in fields like machine translation and sentiment analysis. However, traditional NLP models struggle with accuracy and efficiency. This paper introduces Deep Convolutional Neural Networks…

Computation and Language · Computer Science 2024-12-23 Chang Weng , Scott Rood , Mehdi Ali Ramezani , Amir Aslani , Reza Zarrab , Wang Zwuo , Sanjeev Salimans , Tim Satheesh

Deep learning, particularly convolutional neural networks (CNNs), have yielded rapid, significant improvements in computer vision and related domains. But conventional deep learning architectures perform poorly when data have an underlying…

Signal Processing · Electrical Eng. & Systems 2020-12-02 Mark Cheung , John Shi , Oren Wright , Lavender Y. Jiang , Xujin Liu , José M. F. Moura

Deep learning methods employ multiple processing layers to learn hierarchical representations of data and have produced state-of-the-art results in many domains. Recently, a variety of model designs and methods have blossomed in the context…

Computation and Language · Computer Science 2018-11-27 Tom Young , Devamanyu Hazarika , Soujanya Poria , Erik Cambria

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various…

Machine Learning · Computer Science 2025-02-27 Zhimeng Guo , Teng Xiao , Zongyu Wu , Charu Aggarwal , Hui Liu , Suhang Wang
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