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Graph Transformers (GTs) facilitate the comprehension of graph-structured data by calculating the self-attention of node pairs without considering node position information. To address this limitation, we introduce an innovative and…

Machine Learning · Computer Science 2023-12-12 Kushal Bose , Swagatam Das

Graph Neural Networks (GNNs) have demonstrated remarkable success in modeling complex relationships in graph-structured data. A recent innovation in this field is the family of Differential Equation-Inspired Graph Neural Networks (DE-GNNs),…

Machine Learning · Computer Science 2024-01-23 Moshe Eliasof , Eldad Haber , Eran Treister , Carola-Bibiane Schönlieb

Operator learning has emerged as a promising paradigm for developing efficient surrogate models to solve partial differential equations (PDEs). However, existing approaches often overlook the domain knowledge inherent in the underlying PDEs…

Machine Learning · Computer Science 2025-10-20 Ziqian Li , Kang Liu , Yongcun Song , Hangrui Yue , Enrique Zuazua

Previous studies have demonstrated the strong performance of Graph Neural Networks (GNNs) in node classification. However, most existing GNNs adopt a node-centric perspective and rely on global message passing, leading to high computational…

Machine Learning · Computer Science 2026-01-14 Qian Zeng , Xin Lin , Jingyi Gao , Yang Yu

Knowledge Graph Embeddings (KGEs) have shown promising performance on link prediction tasks by mapping the entities and relations from a knowledge graph into a geometric space (usually a vector space). Ultimately, the plausibility of the…

Machine Learning · Computer Science 2020-10-20 Mojtaba Nayyeri , Chengjin Xu , Jens Lehmann , Sahar Vahdati

Neural networks are one tool for approximating non-linear differential equations used in scientific computing tasks such as surrogate modeling, real-time predictions, and optimal control. PDE foundation models utilize neural networks to…

Machine Learning · Computer Science 2025-02-11 Elisa Negrini , Yuxuan Liu , Liu Yang , Stanley J. Osher , Hayden Schaeffer

Nonlinear state estimation (SE), with the goal of estimating complex bus voltages based on all types of measurements available in the power system, is usually solved using the iterative Gauss-Newton method. The nonlinear SE presents some…

Machine Learning · Computer Science 2022-09-09 Ognjen Kundacina , Mirsad Cosovic , Dragisa Miskovic , Dejan Vukobratovic

Graph-based models form a fundamental aspect of data representation in Data Sciences and play a key role in modeling complex networked systems. In particular, recently there is an ever-increasing interest in modeling dynamic complex…

Data Structures and Algorithms · Computer Science 2015-09-18 Klaus Wehmuth , Artur Ziviani , Eric Fleury

Combining the message-passing paradigm with the global attention mechanism has emerged as an effective framework for learning over graphs. The message-passing paradigm and the global attention mechanism fundamentally generate node…

Machine Learning · Computer Science 2025-09-30 Haimin Zhang , Jiahao Xia , Min Xu

Ensuring electricity grid reliability becomes increasingly challenging with the shift towards renewable energy and declining conventional capacities. Distribution System Operators (DSOs) aim to achieve grid reliability by verifying the n-1…

Machine Learning · Computer Science 2026-02-19 Charlotte Cambier van Nooten , Tom van de Poll , Sonja Füllhase , Jacco Heres , Tom Heskes , Yuliya Shapovalova

We propose a neural network based approach for extracting models from dynamic data using ordinary and partial differential equations. In particular, given a time-series or spatio-temporal dataset, we seek to identify an accurate governing…

Machine Learning · Computer Science 2019-08-09 Yifan Sun , Linan Zhang , Hayden Schaeffer

Recent advances show that neural networks embedded with physics-informed priors significantly outperform vanilla neural networks in learning and predicting the long term dynamics of complex physical systems from noisy data. Despite this…

Machine Learning · Computer Science 2021-10-04 Shaan Desai , Marios Mattheakis , Stephen Roberts

The integration of multi-omics single-cell data remains challenging due to high-dimensionality and complex inter-modality relationships. To address this, we introduce MoRE-GNN (Multi-omics Relational Edge Graph Neural Network), a…

Machine Learning · Computer Science 2025-10-09 Zhiyu Wang , Sonia Koszut , Pietro Liò , Francesco Ceccarelli

We propose a novel Stochastic Differential Equation (SDE) framework to address the problem of learning uncertainty-aware representations for graph-structured data. While Graph Neural Ordinary Differential Equations (GNODEs) have shown…

Machine Learning · Computer Science 2025-09-15 Richard Bergna , Sergio Calvo-Ordoñez , Felix L. Opolka , Pietro Liò , Jose Miguel Hernandez-Lobato

We incorporate prior graph topology information into a Neural Controlled Differential Equation (NCDE) to predict the future states of a dynamical system defined on a graph. The informed NCDE infers the future dynamics at the vertices of…

Machine Learning · Computer Science 2024-10-28 Michael Detzel , Gabriel Nobis , Jackie Ma , Wojciech Samek

Accurately identifying gas mixtures and estimating their concentrations are crucial across various industrial applications using gas sensor arrays. However, existing models face challenges in generalizing across heterogeneous datasets,…

Machine Learning · Computer Science 2024-12-19 Ding Wang , Lei Wang , Huilin Yin , Guoqing Gu , Zhiping Lin , Wenwen Zhang

To enhance the intelligence degree in operation and maintenance, a novel method for fault detection in power grids is proposed. The proposed GNN-based approach first identifies fault nodes through a specialized feature extraction method…

Machine Learning · Computer Science 2024-01-30 Hao Pei , Si Lin , Chuanfu Li , Che Wang , Haoming Chen , Sizhe Li

To provide real-time visibility of physics-based states, phasor measurement units (PMUs) are deployed throughout power networks. PMU data enable real-time grid monitoring and control -- and are essential in transitioning to smarter grids.…

Systems and Control · Electrical Eng. & Systems 2024-10-23 Mohamad H. Kazma , Ahmad F. Taha

Neural Ordinary Differential Equations (ODE) are a promising approach to learn dynamic models from time-series data in science and engineering applications. This work aims at learning Neural ODE for stiff systems, which are usually raised…

Numerical Analysis · Mathematics 2021-10-04 Suyong Kim , Weiqi Ji , Sili Deng , Yingbo Ma , Christopher Rackauckas

This article investigates the ability of graph neural networks (GNNs) to identify risky conditions in a power grid over the subsequent few hours, without explicit, high-resolution information regarding future generator on/off status (grid…

Systems and Control · Electrical Eng. & Systems 2024-05-14 Yadong Zhang , Pranav M Karve , Sankaran Mahadevan