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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

With the hardware support for half-precision arithmetic on NVIDIA V100 GPUs, high-performance computing applications can benefit from lower precision at appropriate spots to speed up the overall execution time. In this paper, we investigate…

Mathematical Software · Computer Science 2020-07-16 Kyaw L. Oo , Andreas Vogel

Despite the vast amount of information encoded in Knowledge Graphs (KGs), information about the class affiliation of entities remains often incomplete. Graph Convolutional Networks (GCNs) have been shown to be effective predictors of…

Artificial Intelligence · Computer Science 2024-12-30 Johannes Mäkelburg , Yiwen Peng , Mehwish Alam , Tobias Weller , Maribel Acosta

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

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Full-graph training of graph neural networks (GNNs) is widely used as it enables direct validation of algorithmic improvements by preserving complete neighborhood information. However, it typically requires multiple GPUs or servers,…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-13 Jaeyong Song , Seongyeon Park , Hongsun Jang , Jaewon Jung , Hunseong Lim , Junguk Hong , Jinho Lee

We introduce the Neural Preconditioning Operator (NPO), a novel approach designed to accelerate Krylov solvers in solving large, sparse linear systems derived from partial differential equations (PDEs). Unlike classical preconditioners that…

Computational Engineering, Finance, and Science · Computer Science 2025-02-10 Zhihao Li , Di Xiao , Zhilu Lai , Wei Wang

Graph neural networks (GNNs) have gained significant interest for applications such as citation network analysis and drug discovery due to their ability to apply machine learning techniques on graph-structured data. GNNs typically employ a…

Hardware Architecture · Computer Science 2026-05-28 Siddhartha Raman Sundara Raman , Lizy John , Jaydeep P. Kulkarni

Presently with technology node scaling, an accurate prediction model at early design stages can significantly reduce the design cycle. Especially during logic synthesis, predicting cell congestion due to improper logic combination can…

Machine Learning · Computer Science 2021-11-12 Amur Ghose , Vincent Zhang , Yingxue Zhang , Dong Li , Wulong Liu , Mark Coates

Graph Neural Networks (GNNs) have emerged as powerful tools for predicting outcomes in graph-structured data. However, a notable limitation of GNNs is their inability to provide robust uncertainty estimates, which undermines their…

Machine Learning · Computer Science 2024-10-10 S. Akansha

In this paper, we introduce a unified framework for nonlinear Krylov subspace methods (nlKrylov) to solve systems of nonlinear equations. Building on classical GCR-like/type linear Krylov solvers such as GMRESR, we generalize these…

Numerical Analysis · Mathematics 2025-11-19 Tom Werner , Ning Wan , Agnieszka Miedlar

We present a novel preconditioning technique for Krylov subspace algorithms to solve fluid-structure interaction (FSI) linearized systems arising from finite element discretizations. An outer Krylov subspace solver preconditioned with a…

Numerical Analysis · Mathematics 2019-10-01 Sara Calandrini , Eugenio Aulisa , Guoyi Ke

Recent prevailing works on graph machine learning typically follow a similar methodology that involves designing advanced variants of graph neural networks (GNNs) to maintain the superior performance of GNNs on different graphs. In this…

Machine Learning · Computer Science 2024-06-07 Yiran Qiao , Xiang Ao , Yang Liu , Jiarong Xu , Xiaoqian Sun , Qing He

Graph representation learning methods are highly effective in handling complex non-Euclidean data by capturing intricate relationships and features within graph structures. However, traditional methods face challenges when dealing with…

Machine Learning · Computer Science 2025-02-25 Hang Gao , Chenhao Zhang , Fengge Wu , Junsuo Zhao , Changwen Zheng , Huaping Liu

This paper aims to provide a novel design of a multiscale framelet convolution for spectral graph neural networks (GNNs). While current spectral methods excel in various graph learning tasks, they often lack the flexibility to adapt to…

Machine Learning · Computer Science 2024-07-30 Mengxi Yang , Dai Shi , Xuebin Zheng , Jie Yin , Junbin Gao

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…

Human-Computer Interaction · Computer Science 2022-04-08 Zhihua Jin , Yong Wang , Qianwen Wang , Yao Ming , Tengfei Ma , Huamin Qu

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

Machine Learning · Computer Science 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

As graph data grows increasingly complicate, training graph neural networks (GNNs) on large-scale datasets presents significant challenges, including computational resource constraints, data redundancy, and transmission inefficiencies.…

Machine Learning · Computer Science 2025-12-05 Liangliang Zhang , Haoran Bao , Yao Ma

Many interesting datasets ubiquitous in machine learning and deep learning can be described via graphs. As the scale and complexity of graph-structured datasets increase, such as in expansive social networks, protein folding, chemical…

Machine Learning · Computer Science 2021-04-06 Matthew T. Dearing , Xiaoyan Wang

The novel contribution of this paper relies in the proposal of a fully implicit numerical method designed for nonlinear degenerate parabolic equations, in its convergence/stability analysis, and in the study of the related computational…

Numerical Analysis · Mathematics 2010-01-20 Matteo Semplice , Marco Donatelli , Stefano Serra-Capizzano