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Graph Neural Networks (GNNs) have shown success in many real-world applications that involve graph-structured data. Most of the existing single-node GNN training systems are capable of training medium-scale graphs with tens of millions of…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-02 Yi-Chien Lin , Viktor Prasanna

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

Graph neural networks (GNNs) have exhibited exceptional efficacy in a diverse array of applications. However, the sheer size of large-scale graphs presents a significant challenge to real-time inference with GNNs. Although existing Scalable…

Machine Learning · Computer Science 2023-12-13 Xinyi Gao , Wentao Zhang , Junliang Yu , Yingxia Shao , Quoc Viet Hung Nguyen , Bin Cui , Hongzhi Yin

How can we subsample graph data so that a graph neural network (GNN) trained on the subsample achieves performance comparable to training on the full dataset? This question is of fundamental interest, as smaller datasets reduce labeling…

Machine Learning · Computer Science 2025-02-25 Mika Sarkin Jain , Stefanie Jegelka , Ishani Karmarkar , Luana Ruiz , Ellen Vitercik

How to obtain informative representations of molecules is a crucial prerequisite in AI-driven drug design and discovery. Recent researches abstract molecules as graphs and employ Graph Neural Networks (GNNs) for molecular representation…

Biomolecules · Quantitative Biology 2020-10-30 Yu Rong , Yatao Bian , Tingyang Xu , Weiyang Xie , Ying Wei , Wenbing Huang , Junzhou Huang

Heterogeneous Graph Neural Networks (HGNNs) are powerful tools for deep learning on heterogeneous graphs. Typical HGNNs require repetitive message passing during training, limiting efficiency for large-scale real-world graphs. Recent…

Machine Learning · Computer Science 2024-09-04 Jun Hu , Bryan Hooi , Bingsheng He

We present GERN, a novel scalable framework for training GNNs in node classification tasks, based on effective resistance, a standard tool in spectral graph theory. Our method progressively refines the GNN weights on a sequence of random…

Machine Learning · Computer Science 2025-02-25 Francesco Bonchi , Claudio Gentile , Francesco Paolo Nerini , André Panisson , Fabio Vitale

Transfer learning is a classic paradigm by which models pretrained on large "upstream" datasets are adapted to yield good results on "downstream" specialized datasets. Generally, more accurate models on the "upstream" dataset tend to…

Computer Vision and Pattern Recognition · Computer Science 2022-04-22 Eugenia Iofinova , Alexandra Peste , Mark Kurtz , Dan Alistarh

Simulating rigid collisions among arbitrary shapes is notoriously difficult due to complex geometry and the strong non-linearity of the interactions. While graph neural network (GNN)-based models are effective at learning to simulate…

Graph neural network (GNN) is a popular tool to learn the lower-dimensional representation of a graph. It facilitates the applicability of machine learning tasks on graphs by incorporating domain-specific features. There are various options…

Machine Learning · Computer Science 2020-08-21 Md. Khaledur Rahman

Graph Neural Networks (GNNs) have demonstrated significant achievements in processing graph data, yet scalability remains a substantial challenge. To address this, numerous graph coarsening methods have been developed. However, most…

Machine Learning · Computer Science 2024-12-19 Shuyin Xia , Xinjun Ma , Zhiyuan Liu , Cheng Liu , Sen Zhao , Guoyin Wang

As real-world graphs expand in size, larger GNN models with billions of parameters are deployed. High parameter count in such models makes training and inference on graphs expensive and challenging. To reduce the computational and memory…

Machine Learning · Computer Science 2023-02-27 Hongwu Peng , Deniz Gurevin , Shaoyi Huang , Tong Geng , Weiwen Jiang , Omer Khan , Caiwen Ding

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…

Machine Learning · Computer Science 2022-03-23 Haoyu Tang , Wennan Long

Recently the Transformer structure has shown good performances in graph learning tasks. However, these Transformer models directly work on graph nodes and may have difficulties learning high-level information. Inspired by the vision…

Machine Learning · Computer Science 2023-04-11 Han Gao , Xu Han , Jiaoyang Huang , Jian-Xun Wang , Li-Ping Liu

We introduceGraphGPT, a novel self-supervised generative pre-trained model for graph learning based on the Graph Eulerian Transformer (GET). First, we propose GET, which combines a standard transformer encoder or decoder architecture with…

Machine Learning · Computer Science 2025-06-09 Qifang Zhao , Weidong Ren , Tianyu Li , Hong Liu , Xingsheng He , Xiaoxiao Xu

Graph Neural Networks (GNNs) have become a central tool for learning on graph-structured data, yet their applicability to real-world systems remains limited by key challenges such as scalability, temporality, directionality, data…

Machine Learning · Computer Science 2025-10-28 Emanuele Rossi

Many real-world relational systems, such as social networks and biological systems, contain dynamic interactions. When learning dynamic graph representation, it is essential to employ sequential temporal information and geometric structure.…

Machine Learning · Computer Science 2021-11-16 Bingxin Zhou , Xinliang Liu , Yuehua Liu , Yunying Huang , Pietro Liò , YuGuang Wang

Due to the significant computational challenge of training large-scale graph neural networks (GNNs), various sparse learning techniques have been exploited to reduce memory and storage costs. Examples include \textit{graph sparsification}…

Machine Learning · Computer Science 2023-02-07 Shuai Zhang , Meng Wang , Pin-Yu Chen , Sijia Liu , Songtao Lu , Miao Liu

Graph neural networks have been useful in machine learning on graph-structured data, particularly for node classification and some types of graph classification tasks. However, they have had limited use in representing patterning of signals…

Machine Learning · Computer Science 2025-06-23 Siddharth Viswanath , Rahul Singh , Yanlei Zhang , J. Adam Noah , Joy Hirsch , Smita Krishnaswamy

Student dropout is a significant challenge in educational systems worldwide, leading to substantial social and economic costs. Predicting students at risk of dropout allows for timely interventions. While traditional Machine Learning (ML)…

Machine Learning · Computer Science 2026-01-16 Pablo G. Almeida , Guilherme A. L. Silva , Valéria Santos , Gladston Moreira , Pedro Silva , Eduardo Luz