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Supervised learning with deep models has tremendous potential for applications in materials science. Recently, graph neural networks have been used in this context, drawing direct inspiration from models for molecules. However, materials…

Materials Science · Physics 2023-01-18 Sékou-Oumar Kaba , Siamak Ravanbakhsh

Graph Convolutional Networks (GCNs) are extensively utilized for deep learning on graphs. The large data sizes of graphs and their vertex features make scalable training algorithms and distributed memory systems necessary. Since the…

Machine Learning · Computer Science 2022-12-14 Gunduz Vehbi Demirci , Aparajita Haldar , Hakan Ferhatosmanoglu

Graph Neural Networks (GNNs) have emerged as promising solutions for collaborative filtering (CF) through the modeling of user-item interaction graphs. The nucleus of existing GNN-based recommender systems involves recursive message passing…

Machine Learning · Computer Science 2024-05-21 Peiyan Zhang , Yuchen Yan , Xi Zhang , Chaozhuo Li , Senzhang Wang , Feiran Huang , Sunghun Kim

In neural networks, the property of being equivariant to transformations improves generalization when the corresponding symmetry is present in the data. In particular, scale-equivariant networks are suited to computer vision tasks where the…

Machine Learning · Statistics 2022-10-11 Mateus Sangalli , Samy Blusseau , Santiago Velasco-Forero , Jesus Angulo

Graph Neural Networks (GNNs) have emerged as powerful tools for supervised machine learning over graph-structured data, while sampling-based node representation learning is widely utilized in unsupervised learning. However, scalability…

Machine Learning · Computer Science 2024-07-23 Vipul Gupta , Xin Chen , Ruoyun Huang , Fanlong Meng , Jianjun Chen , Yujun Yan

We introduce the Graded Transformer framework, a new class of sequence models that embeds algebraic inductive biases through grading transformations on vector spaces. Extending Graded Neural Networks (GNNs), we propose two architectures:…

Machine Learning · Computer Science 2025-09-03 Tony Shaska

Graph Neural Networks (GNNs) have paved the way for being a cornerstone in graph-related learning tasks. Yet, the ability of GNNs to capture structural interactions within graphs remains under-explored. In this work, we address this gap by…

Machine Learning · Computer Science 2025-03-04 Asela Hevapathige , Qing Wang

Foundation Models (FMs) serve as a general class for the development of artificial intelligence systems, offering broad potential for generalization across a spectrum of downstream tasks. Despite extensive research into self-supervised…

Machine Learning · Computer Science 2024-06-17 Yuhao Xu , Xinqi Liu , Keyu Duan , Yi Fang , Yu-Neng Chuang , Daochen Zha , Qiaoyu Tan

Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

Machine Learning · Computer Science 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

Graph Neural Networks (GNNs) have become a prominent approach to machine learning with graphs and have been increasingly applied in a multitude of domains. Nevertheless, since most existing GNN models are based on flat message-passing…

Machine Learning · Computer Science 2022-10-27 Zhiqiang Zhong , Cheng-Te Li , Jun Pang

The recent introduction of Graph Neural Networks (GNNs) and their growing popularity in the past few years has enabled the application of deep learning algorithms to non-Euclidean, graph-structured data. GNNs have achieved state-of-the-art…

Machine Learning · Computer Science 2020-10-27 Tuomas P. Oikarinen , Daniel C. Hannah , Sohrob Kazerounian

Graph Convolutional Networks (GCNs) have achieved impressive performance in a wide variety of areas, attracting considerable attention. The core step of GCNs is the information-passing framework that considers all information from neighbors…

Machine Learning · Computer Science 2022-02-17 Feng Xia , Lei Wang , Tao Tang , Xin Chen , Xiangjie Kong , Giles Oatley , Irwin King

Modern sequence models (e.g., Transformers, linear RNNs, etc.) emerged as dominant backbones of recent deep learning frameworks, mainly due to their efficiency, representational power, and/or ability to capture long-range dependencies.…

Machine Learning · Computer Science 2024-11-26 Ali Behrouz , Ali Parviz , Mahdi Karami , Clayton Sanford , Bryan Perozzi , Vahab Mirrokni

Graph Neural Networks (GNNs) have seen significant advances in recent years, yet their application to multigraphs, where parallel edges exist between the same pair of nodes, remains under-explored. Standard GNNs, designed for simple graphs,…

Machine Learning · Computer Science 2024-12-11 H. Çağrı Bilgi , Lydia Y. Chen , Kubilay Atasu

Graph Neural Networks (GNN) have shown a strong potential to be integrated into commercial products for network control and management. Early works using GNN have demonstrated an unprecedented capability to learn from different network…

Networking and Internet Architecture · Computer Science 2021-10-05 Miquel Ferriol-Galmés , José Suárez-Varela , Krzysztof Rusek , Pere Barlet-Ros , Albert Cabellos-Aparicio

We propose a general architecture that combines the coefficient learning scheme with a residual operator layer for learning mappings between continuous functions in the 3D Euclidean space. Our proposed model is guaranteed to achieve…

Machine Learning · Computer Science 2023-11-21 Chaoran Cheng , Jian Peng

In recent years, Graph Neural Network (GNN) based models have shown promising results in simulating physics of complex systems. However, training dedicated graph network based physics simulators can be costly, as most models are confined to…

Machine Learning · Computer Science 2025-02-12 Siqi Shen , Yu Liu , Daniel Biggs , Omar Hafez , Jiandong Yu , Wentao Zhang , Bin Cui , Jiulong Shan

Graph neural networks (GNNs) have been widely used in deep learning on graphs. They can learn effective node representations that achieve superior performances in graph analysis tasks such as node classification and node clustering.…

Machine Learning · Computer Science 2021-04-19 Jianxin Li , Hao Peng , Yuwei Cao , Yingtong Dou , Hekai Zhang , Philip S. Yu , Lifang He

Graph Neural Networks (GNNs) have attracted considerable attention and have emerged as a new promising paradigm to process graph-structured data. GNNs are usually stacked to multiple layers and the node representations in each layer are…

Machine Learning · Computer Science 2020-09-25 Yihao Chen , Xin Tang , Xianbiao Qi , Chun-Guang Li , Rong Xiao

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim