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A central question in neuroscience is how self-organizing dynamic interactions in the brain emerge on their relatively static structural backbone. Due to the complexity of spatial and temporal dependencies between different brain areas,…

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…

机器学习 · 计算机科学 2022-02-01 Sakthi Kumar Arul Prakash , Conrad Tucker

Dynamic graphs provide a flexible data abstraction for modelling many sorts of real-world systems, such as transport, trade, and social networks. Graph neural networks (GNNs) are powerful tools allowing for different kinds of prediction and…

机器学习 · 统计学 2025-03-27 Ed Davis , Ian Gallagher , Daniel John Lawson , Patrick Rubin-Delanchy

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)…

机器学习 · 计算机科学 2024-09-23 Jialun Zheng , Divya Saxena , Jiannong Cao , Hanchen Yang , Penghui Ruan

The application of graph neural networks (GNNs) to the domain of electrical power grids has high potential impact on smart grid monitoring. Even though there is a natural correspondence of power flow to message-passing in GNNs, their…

Graph Neural Networks (GNNs) aim to extend deep learning techniques to graph data and have achieved significant progress in graph analysis tasks (e.g., node classification) in recent years. However, similar to other deep neural networks…

人机交互 · 计算机科学 2022-04-08 Zhihua Jin , Yong Wang , Qianwen Wang , Yao Ming , Tengfei Ma , Huamin Qu

Predicting edge weights on graphs has various applications, from transportation systems to social networks. This paper describes a Graph Neural Network (GNN) approach for edge weight prediction with guaranteed coverage. We leverage…

机器学习 · 计算机科学 2024-06-13 Rui Luo , Nicolo Colombo

This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic…

神经与进化计算 · 计算机科学 2023-12-12 Bahman Madadi , Goncalo Homem de Almeida Correia

Recently, methods that represent data as a graph, such as graph neural networks (GNNs) have been successfully used to learn data representations and structures to solve classification and link prediction problems. The applications of such…

机器学习 · 计算机科学 2022-10-04 Usman Mahmood , Zening Fu , Vince Calhoun , Sergey Plis

Reasoning system dynamics is one of the most important analytical approaches for many scientific studies. With the initial state of a system as input, the recent graph neural networks (GNNs)-based methods are capable of predicting the…

机器学习 · 计算机科学 2023-10-23 Lingbing Guo , Weiqing Wang , Zhuo Chen , Ningyu Zhang , Zequn Sun , Yixuan Lai , Qiang Zhang , Huajun Chen

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

机器学习 · 计算机科学 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Graph Neural Networks (GNNs) have established themselves as a key component in addressing diverse graph-based tasks. Despite their notable successes, GNNs remain susceptible to input perturbations in the form of adversarial attacks. This…

机器学习 · 计算机科学 2024-09-13 Moshe Eliasof , Davide Murari , Ferdia Sherry , Carola-Bibiane Schönlieb

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…

机器学习 · 计算机科学 2024-06-25 Zinan Zheng , Yang Liu , Jia Li , Jianhua Yao , Yu Rong

Traffic flow forecasting is a critical spatio-temporal data mining task with wide-ranging applications in intelligent route planning and dynamic traffic management. Recent advancements in deep learning, particularly through Graph Neural…

机器学习 · 计算机科学 2025-05-14 Weiyang Kong , Kaiqi Wu , Sen Zhang , Yubao Liu

Fast prediction of suspension rheology is fundamental for optimizing process efficiency and performance in numerous industrial settings. However, traditional simulations are computationally demanding due to explicit evaluation of contact…

软凝聚态物质 · 物理学 2026-02-10 Armin Aminimajd , Joao Maia , Abhinendra Singh

Accurate short-term state forecasting is essential for efficient and stable operation of modern power systems, especially in the context of increasing variability introduced by renewable and distributed energy resources. As these systems…

机器学习 · 计算机科学 2026-05-13 Raffael Theiler , Olga Fink

Graphs are essential representations of many real-world data such as social networks. Recent years have witnessed the increasing efforts made to extend the neural network models to graph-structured data. These methods, which are usually…

机器学习 · 计算机科学 2018-11-07 Yao Ma , Ziyi Guo , Zhaochun Ren , Eric Zhao , Jiliang Tang , Dawei Yin

Predicting interactions between structured entities lies at the core of numerous tasks such as drug regimen and new material design. In recent years, graph neural networks have become attractive. They represent structured entities as graphs…

机器学习 · 计算机科学 2020-04-21 Nuo Xu , Pinghui Wang , Long Chen , Jing Tao , Junzhou Zhao

Nonlinear finite element crash simulations are accurate but computationally expensive, limiting their use in iterative design optimisation. Machine-learning surrogate models based on graph neural networks (GNNs) offer a faster alternative.…

机器学习 · 计算机科学 2026-05-18 Haoran Li , Tobias Lehrer , Yingxue Zhao , Haosu Zhou , Philipp Stocker , Tobias Pfaff , Nan Li

Simulating particle dynamics with high fidelity is crucial for solving real-world interaction and control tasks involving liquids in design, graphics, and robotics. Recently, data-driven approaches, particularly those based on graph neural…

机器学习 · 计算机科学 2025-12-01 Niteesh Midlagajni , Constantin A. Rothkopf