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This work presents a novel graph neural network (GNN) architecture, the Feature-specific Interpretable Graph Neural Network (FIGNN), designed to enhance the interpretability of deep learning surrogate models defined on unstructured grids in…

机器学习 · 计算机科学 2025-06-16 Riddhiman Raut , Romit Maulik , Shivam Barwey

Reconstructing complex 3D interfaces from indirect measurements remains a grand challenge in scientific computing, particularly for ill-posed inverse problems like Electrical Impedance Tomography (EIT). Traditional shape optimization…

数值分析 · 数学 2026-04-23 Haibo Liu , Junqing Chen , Guang Lin

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various…

社会与信息网络 · 计算机科学 2021-12-15 Wentao Xu , Yingce Xia , Weiqing Liu , Jiang Bian , Jian Yin , Tie-Yan Liu

The exploration of novel architectures requires physics-based simulation due to a lack of prior experience to start from, which introduces two specific challenges for optimization algorithms: evaluations become more expensive (in time) and…

机器学习 · 计算机科学 2025-04-14 Jasper Bussemaker , Paul Saves , Nathalie Bartoli , Thierry Lefebvre , Björn Nagel

Aerodynamic optimization is crucial for developing eco-friendly, aerodynamic, and stylish cars, which requires close collaboration between aerodynamicists and stylists, a collaboration impaired by the time-consuming nature of aerodynamic…

机器学习 · 计算机科学 2025-08-05 Sam Jacob Jacob , Markus Mrosek , Carsten Othmer , Harald Köstler

Graph anomaly detection (GAD) has gained increasing attention in recent years due to its critical application in a wide range of domains, such as social networks, financial risk management, and traffic analysis. Existing GAD methods can be…

社会与信息网络 · 计算机科学 2023-11-21 Jie Liu , Mengting He , Xuequn Shang , Jieming Shi , Bin Cui , Hongzhi Yin

This manuscript proposes an optimization framework to find the tailor-made functionally graded material (FGM) profiles for thermoelastic applications. This optimization framework consists of (1) a random profile generation scheme, (2) deep…

计算工程、金融与科学 · 计算机科学 2024-08-27 Piyush Agrawal , Ihina Mahajan , Shivam Choubey , Manish Agrawal

Assumption-Based Argumentation (ABA) is a powerful structured argumentation formalism, but exact computation of extensions under stable semantics is intractable for large frameworks. We present the first Graph Neural Network (GNN) approach…

人工智能 · 计算机科学 2025-11-18 Preesha Gehlot , Anna Rapberger , Fabrizio Russo , Francesca Toni

Graph embedding provides an efficient solution for graph analysis by converting the graph into a low-dimensional space which preserves the structure information. In contrast to the graph structure data, the i.i.d. node embedding can be…

机器学习 · 计算机科学 2017-05-16 Hongyun Cai , Vincent W. Zheng , Kevin Chen-Chuan Chang

Graph Neural Networks (GNNs) have experienced rapid advancements in recent years due to their ability to learn meaningful representations from graph data structures. Federated Learning (FL) has emerged as a viable machine learning approach…

分布式、并行与集群计算 · 计算机科学 2025-06-17 Pranjal Naman , Yogesh Simmhan

Graph neural networks have been used for a variety of learning tasks, such as link prediction, node classification, and node clustering. Among them, link prediction is a relatively under-studied graph learning task, with current…

机器学习 · 计算机科学 2022-08-29 Xinxing Wu , Qiang Cheng

Edge intelligence has arisen as a promising computing paradigm for supporting miscellaneous smart applications that rely on machine learning techniques. While the community has extensively investigated multi-tier edge deployment for…

分布式、并行与集群计算 · 计算机科学 2022-11-01 Liekang Zeng , Chongyu Yang , Peng Huang , Zhi Zhou , Shuai Yu , Xu Chen

We investigate a deep learning approach to efficiently perform Bayesian inference in partial differential equation (PDE) and integral equation models over potentially high-dimensional parameter spaces. The contributions of this paper are…

数值分析 · 数学 2021-03-26 Teo Deveney , Eike Mueller , Tony Shardlow

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

This work introduces a hybrid approach that combines the Proper Generalised Decomposition (PGD) with deep learning techniques to provide real-time solutions for parametrised mechanics problems. By relying on a tensor decomposition, the…

计算物理 · 物理学 2025-09-03 Alexandre Daby-Seesaram , Kateřina Škardová , Martin Genet

We propose GNN-Surrogate, a graph neural network-based surrogate model to explore the parameter space of ocean climate simulations. Parameter space exploration is important for domain scientists to understand the influence of input…

大气与海洋物理 · 物理学 2022-02-23 Neng Shi , Jiayi Xu , Skylar W. Wurster , Hanqi Guo , Jonathan Woodring , Luke P. Van Roekel , Han-Wei Shen

Undirected graphical models are powerful tools for uncovering complex relationships among high-dimensional variables. This paper aims to fully recover the structure of an undirected graphical model when the data naturally take matrix form,…

统计方法学 · 统计学 2025-08-08 Minsub Shin , Johan Lim , Seongoh Park

Multi-frequency Electrical Impedance Tomography (mfEIT) represents a promising biomedical imaging modality that enables the estimation of tissue conductivities across a range of frequencies. Addressing this challenge, we present a novel…

The ubiquity of fluids in the physical world explains the need to accurately simulate their dynamics for many scientific and engineering applications. Traditionally, well established but resource intensive CFD solvers provide such…

机器学习 · 计算机科学 2021-12-21 Lucas Meyer , Louen Pottier , Alejandro Ribes , Bruno Raffin

Reservoir simulations are computationally expensive in the well control and well placement optimization. Generally, numerous simulation runs (realizations) are needed in order to achieve the optimal well locations. In this paper, we propose…

机器学习 · 计算机科学 2022-03-23 Haoyu Tang , Wennan Long