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Inductive spatial temporal prediction can generalize historical data to predict unseen data, crucial for highly dynamic scenarios (e.g., traffic systems, stock markets). However, external events (e.g., urban structural growth, market crash)…

Machine Learning · Computer Science 2024-09-23 Jialun Zheng , Divya Saxena , Jiannong Cao , Hanchen Yang , Penghui Ruan

Real-time supervisory control of advanced reactors requires accurate forecasting of plant-wide thermal-hydraulic states, including locations where physical sensors are unavailable. Meeting this need calls for surrogate models that combine…

Machine Learning · Computer Science 2026-05-19 Akzhol Almukhametov , Doyeong Lim , Rui Hu , Yang Liu

Traffic forecasting has attracted widespread attention recently. In reality, traffic data usually contains missing values due to sensor or communication errors. The Spatio-temporal feature in traffic data brings more challenges for…

Machine Learning · Computer Science 2022-12-14 Jingwei Zuo , Karine Zeitouni , Yehia Taher , Sandra Garcia-Rodriguez

Urban traffic flow prediction using data-driven models can play an important role in route planning and preventing congestion on highways. These methods utilize data collected from traffic recording stations at different timestamps to…

Machine Learning · Computer Science 2022-04-22 Mehdi Mehdipour Ghazi , Amin Ramezani , Mehdi Siahi , Mostafa Mehdipour Ghazi

Graph Neural Networks (GNNs) became useful for learning on non-Euclidean data. However, their best performance depends on choosing the right model architecture and the training objective, also called the loss function. Researchers have…

Machine Learning · Computer Science 2025-06-18 Khushnood Abbas , Ruizhe Hou , Zhou Wengang , Dong Shi , Niu Ling , Satyaki Nan , Alireza Abbasi

Metal forging is used to manufacture dies. We require the best set of input parameters for the process to be efficient. Currently, we predict the best parameters using the finite element method by generating simulations for the different…

Machine Learning · Computer Science 2023-10-24 Shwetha Salimath , Francesca Bugiotti , Frederic Magoules

The majority of model-based learned image reconstruction methods in medical imaging have been limited to uniform domains, such as pixelated images. If the underlying model is solved on nonuniform meshes, arising from a finite element method…

Image and Video Processing · Electrical Eng. & Systems 2021-07-12 William Herzberg , Daniel B. Rowe , Andreas Hauptmann , Sarah J. Hamilton

As the performance of computer systems stagnates due to the end of Moore's Law, there is a need for new models that can understand and optimize the execution of general purpose code. While there is a growing body of work on using Graph…

Machine Learning · Computer Science 2020-03-12 Zhan Shi , Kevin Swersky , Daniel Tarlow , Parthasarathy Ranganathan , Milad Hashemi

The work function and cleavage energy of a surface are critical properties that determine the viability of materials in electronic emission applications, semiconductor devices, and heterogeneous catalysis. While first principles…

Materials Science · Physics 2026-01-12 Circe Hsu , Claire Schlesinger , Karan Mudaliar , Jordan Leung , Robin Walters , Peter Schindler

Recent progress in Graph Neural Networks (GNNs) for modeling atomic simulations has the potential to revolutionize catalyst discovery, which is a key step in making progress towards the energy breakthroughs needed to combat climate change.…

Machine Learning · Computer Science 2022-04-12 Anuroop Sriram , Abhishek Das , Brandon M. Wood , Siddharth Goyal , C. Lawrence Zitnick

Graph neural networks (GNNs) have shown significant success in learning graph representations. However, recent studies reveal that GNNs often fail to outperform simple MLPs on heterophilous graph tasks, where connected nodes may differ in…

Machine Learning · Computer Science 2025-04-10 Songwei Zhao , Yuan Jiang , Zijing Zhang , Yang Yu , Hechang Chen

Entity alignment (EA) which links equivalent entities across different knowledge graphs (KGs) plays a crucial role in knowledge fusion. In recent years, graph neural networks (GNNs) have been successfully applied in many embedding-based EA…

Computation and Language · Computer Science 2023-05-01 Feng Xie , Xiang Zeng , Bin Zhou , Yusong Tan

Graph Neural Networks (GNNs) are powerful tools for learning from graph-structured data, but their scalability is increasingly strained by the size of real-world graphs in domains like recommender systems, fraud detection, and molecular…

Machine Learning · Computer Science 2026-05-22 Mridul Gupta , Samyak Jain , Vansh Ramani , Hariprasad Kodamana , Sayan Ranu

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

Machine Learning · Computer Science 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

We propose a physics-informed machine learning framework called P-DivGNN to reconstruct local stress fields at the micro-scale, in the context of multi-scale simulation given a periodic micro-structure mesh and mean, macro-scale, stress…

Machine Learning · Computer Science 2025-07-09 Manuel Ricardo Guevara Garban , Yves Chemisky , Étienne Prulière , Michaël Clément

We propose a learning framework to find the representation of a robot's kinematic structure and motion embedding spaces using graph neural networks (GNN). Finding a compact and low-dimensional embedding space for complex phenomena is a key…

Robotics · Computer Science 2023-02-01 J. Taery Kim , Jeongeun Park , Sungjoon Choi , Sehoon Ha

Although graph neural networks (GNNs) have made great progress recently on learning from graph-structured data in practice, their theoretical guarantee on generalizability remains elusive in the literature. In this paper, we provide a…

Machine Learning · Computer Science 2020-06-26 Shuai Zhang , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

A graph neural network (GNN) for image understanding based on multiple cues is proposed in this paper. Compared to traditional feature and decision fusion approaches that neglect the fact that features can interact and exchange information,…

Computer Vision and Pattern Recognition · Computer Science 2020-03-02 Xin Guo , Luisa F. Polania , Bin Zhu , Charles Boncelet , Kenneth E. Barner

Accurate prediction of vehicle collision dynamics is crucial for advanced safety systems and post-impact control applications, yet existing methods face inherent trade-offs among computational efficiency, prediction accuracy, and data…

Systems and Control · Electrical Eng. & Systems 2025-10-16 Yangye Jiang , Jiachen Wang , Daofei Li

Graph Neural Networks (GNNs) have become a central tool for learning on graph-structured data, yet their applicability to real-world systems remains limited by key challenges such as scalability, temporality, directionality, data…

Machine Learning · Computer Science 2025-10-28 Emanuele Rossi