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Physics-informed machine learning (PIML) has emerged as a promising new approach for simulating complex physical and biological systems that are governed by complex multiscale processes for which some data are also available. In some…

Machine Learning · Computer Science 2022-05-18 Khemraj Shukla , Mengjia Xu , Nathaniel Trask , George Em Karniadakis

Graph neural networks (GNNs) have emerged as a powerful tool for effectively mining and learning from graph-structured data, with applications spanning numerous domains. However, most research focuses on static graphs, neglecting the…

Machine Learning · Computer Science 2024-04-30 Yanping Zheng , Lu Yi , Zhewei Wei

State estimation is highly critical for accurately observing the dynamic behavior of the power grids and minimizing risks from cyber threats. However, existing state estimation methods encounter challenges in accurately capturing power…

Systems and Control · Electrical Eng. & Systems 2024-01-01 Quang-Ha Ngo , Bang L. H. Nguyen , Tuyen V. Vu , Jianhua Zhang , Tuan Ngo

Graph-based Active Learning (AL) leverages the structure of graphs to efficiently prioritize label queries, reducing labeling costs and user burden in applications like health monitoring, human behavior analysis, and sensor networks. By…

Machine Learning · Computer Science 2025-06-13 Maryam Khalid , Akane Sano

We apply a temporal edge prediction model for weighted dynamic graphs to predict time-dependent changes in molecular structure. Each molecule is represented as a complete graph in which each atom is a vertex and all vertex pairs are…

Machine Learning · Computer Science 2021-06-28 Michael Hunter Ashby , Jenna A. Bilbrey

In massive multi-input multi-output (MIMO) systems, the main bottlenecks of location- and orientation-assisted beam alignment using deep neural networks (DNNs) are large training overhead and significant performance degradation. This paper…

Signal Processing · Electrical Eng. & Systems 2026-01-21 Yuzhu Lei , Qiqi Xiao , Yinghui He , Guanding Yu

Many irregular domains such as social networks, financial transactions, neuron connections, and natural language constructs are represented using graph structures. In recent years, a variety of graph neural networks (GNNs) have been…

Machine Learning · Computer Science 2021-05-03 Osman Asif Malik , Shashanka Ubaru , Lior Horesh , Misha E. Kilmer , Haim Avron

Modelling dynamically evolving spatio-temporal signals is a prominent challenge in the Graph Neural Network (GNN) literature. Notably, GNNs assume an existing underlying graph structure. While this underlying structure may not always exist…

Machine Learning · Computer Science 2026-03-25 Om Roy , Yashar Moshfeghi , Keith Smith

We leverage physics-embedded differentiable graph network simulators (GNS) to accelerate particulate and fluid simulations to solve forward and inverse problems. GNS represents the domain as a graph with particles as nodes and learned…

Geophysics · Physics 2023-09-26 Krishna Kumar , Yongjin Choi

Accurate prediction of structural displacements under external loading is fundamental to structural health monitoring and seismic safety assessment. Although the finite element method (FEM) remains the prevailing approach because of its…

Machine Learning · Computer Science 2026-05-12 Hung-Fu Chang , Tzu-Kang Lin , Yung-Li Cheng

Dynamic graphs capture evolving interactions between entities, such as in social networks, online learning platforms, and crowdsourcing projects. For dynamic graph modeling, dynamic graph neural networks (DGNNs) have emerged as a mainstream…

Machine Learning · Computer Science 2025-03-04 Xingtong Yu , Zhenghao Liu , Xinming Zhang , Yuan Fang

Spatio-temporal dynamics of physical processes are generally modeled using partial differential equations (PDEs). Though the core dynamics follows some principles of physics, real-world physical processes are often driven by unknown…

Machine Learning · Computer Science 2021-09-01 Priyabrata Saha , Saurabh Dash , Saibal Mukhopadhyay

Neural Networks (GNNs) have revolutionized the molecular discovery to understand patterns and identify unknown features that can aid in predicting biophysical properties and protein-ligand interactions. However, current models typically…

Machine Learning · Computer Science 2022-12-21 Carter Knutson , Gihan Panapitiya , Rohith Varikoti , Neeraj Kumar

In this work, we propose an end-to-end graph network that learns forward and inverse models of particle-based physics using interpretable inductive biases. Physics-informed neural networks are often engineered to solve specific problems…

Machine Learning · Computer Science 2022-02-01 Sakthi Kumar Arul Prakash , Conrad Tucker

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

Numerical simulators are essential tools in the study of natural fluid-systems, but their performance often limits application in practice. Recent machine-learning approaches have demonstrated their ability to accelerate spatio-temporal…

Fluid Dynamics · Physics 2022-05-06 Mario Lino , Stathi Fotiadis , Anil A. Bharath , Chris Cantwell

Incorporating Euclidean symmetries (e.g. rotation equivariance) as inductive biases into graph neural networks has improved their generalization ability and data efficiency in unbounded physical dynamics modeling. However, in various…

Machine Learning · Computer Science 2024-06-25 Zinan Zheng , Yang Liu , Jia Li , Jianhua Yao , Yu Rong

Data in tabular format is frequently occurring in real-world applications. Graph Neural Networks (GNNs) have recently been extended to effectively handle such data, allowing feature interactions to be captured through representation…

Machine Learning · Computer Science 2024-08-14 Amr Alkhatib , Sofiane Ennadir , Henrik Boström , Michalis Vazirgiannis

Numerical simulation of multi-phase fluid dynamics in porous media is critical for many energy and environmental applications in Earth's subsurface. Data-driven surrogate modeling provides computationally inexpensive alternatives to…

Computational Physics · Physics 2024-04-16 Jiamin Jiang , Bo Guo

Recommender systems are essential components of modern online platforms which presents personalized content in various domain. The traditional collaborative filtering methods depends on static user-item interaction graphs and a limited…

Information Retrieval · Computer Science 2026-05-08 Aadarsh Senapati , Neha Kujur , Vivek Yelleti
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