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There has been a recent surge of interest in using machine learning to approximate density functional theory (DFT) in materials science. However, many of the most performant models are evaluated on large databases of computed properties of,…

Materials Science · Physics 2021-07-02 Filip Ekström , Rickard Armiento , Fredrik Lindsten

We describe a computationally efficient, stochastic graph-regularization technique that can be utilized for the semi-supervised training of deep neural networks in a parallel or distributed setting. We utilize a technique, first described…

Machine Learning · Statistics 2018-05-31 Sunil Thulasidasan , Jeffrey Bilmes , Garrett Kenyon

Federated graph learning (FGL) is a promising distributed training paradigm for graph neural networks across multiple local systems without direct data sharing. This approach inherently involves large-scale distributed graph processing,…

Machine Learning · Computer Science 2025-01-22 Xunkai Li , Yinlin Zhu , Boyang Pang , Guochen Yan , Yeyu Yan , Zening Li , Zhengyu Wu , Wentao Zhang , Rong-Hua Li , Guoren Wang

Federated Graph Learning (FGL) aims to collaboratively and privately optimize graph models on divergent data for different tasks. A critical challenge in FGL is to enable effective yet efficient federated optimization against multifaceted…

Machine Learning · Computer Science 2024-11-05 Zhuoning Guo , Ruiqian Han , Hao Liu

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

Autonomous driving in high-speed racing, as opposed to urban environments, presents significant challenges in scene understanding due to rapid changes in the track environment. Traditional sequential network approaches may struggle to meet…

Computer Vision and Pattern Recognition · Computer Science 2025-05-06 Suwesh Prasad Sah

Multi-domain graph pre-training integrates knowledge from diverse domains to enhance performance in the target domains, which is crucial for building graph foundation models. Despite initial success, existing solutions often fall short of…

Machine Learning · Computer Science 2026-03-03 Li Sun , Zhenhao Huang , Silei Chen , Lanxu Yang , Junda Ye , Sen Su , Philip S. Yu

Deep graph neural networks (GNNs) have achieved excellent results on various tasks on increasingly large graph datasets with millions of nodes and edges. However, memory complexity has become a major obstacle when training deep GNNs for…

Machine Learning · Computer Science 2022-04-12 Guohao Li , Matthias Müller , Bernard Ghanem , Vladlen Koltun

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

Biomolecules · Quantitative Biology 2023-10-20 Markus J. Buehler

It is a challenging task to train large DNN models on sophisticated GPU platforms with diversified interconnect capabilities. Recently, pipelined training has been proposed as an effective approach for improving device utilization. However,…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-07-03 Shiqing Fan , Yi Rong , Chen Meng , Zongyan Cao , Siyu Wang , Zhen Zheng , Chuan Wu , Guoping Long , Jun Yang , Lixue Xia , Lansong Diao , Xiaoyong Liu , Wei Lin

As the size of real-world graphs increases, training Graph Neural Networks (GNNs) has become time-consuming and requires acceleration. While previous works have demonstrated the potential of utilizing FPGA for accelerating GNN training, few…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-06 Yi-Chien Lin , Bingyi Zhang , Viktor Prasanna

In order to improve system performance efficiently, a number of systems choose to equip multi-core and many-core processors (such as GPUs). Due to their discrete memory these heterogeneous architectures comprise a distributed system within…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-02-27 Hao Wu , Daniel Lohmann , Wolfgang Schröder-Preikschat

Transformer models have emerged as potent solutions to a wide array of multidisciplinary challenges. The deployment of Transformer architectures is significantly hindered by their extensive computational and memory requirements,…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-03 Zhengxian Lu , Fangyu Wang , Zhiwei Xu , Fei Yang , Tao Li

Graphs provide a powerful means for representing complex interactions between entities. Recently, deep learning approaches are emerging for representing and modeling graph-structured data, although the conventional deep learning methods…

Neural and Evolutionary Computing · Computer Science 2016-12-06 Jaekoo Lee , Hyunjae Kim , Jongsun Lee , Sungroh Yoon

Huge neural network models have shown unprecedented performance in real-world applications. However, due to memory constraints, model parallelism must be utilized to host large models that would otherwise not fit into the memory of a single…

Machine Learning · Computer Science 2021-04-13 Qifan Xu , Shenggui Li , Chaoyu Gong , Yang You

Bayesian networks (BNs) are a widely used graphical model in machine learning for representing knowledge with uncertainty. The mainstream BN structure learning methods require performing a large number of conditional independence (CI)…

Machine Learning · Computer Science 2022-12-09 Jiantong Jiang , Zeyi Wen , Ajmal Mian

The Graph Convolutional Network (GCN) has been successfully applied to many graph-based applications. Training a large-scale GCN model, however, is still challenging: Due to the node dependency and layer dependency of the GCN architecture,…

Machine Learning · Computer Science 2021-12-20 Hongyi Li , Junxiang Wang , Yongchao Wang , Yue Cheng , Liang Zhao

Distributed training of GNNs enables learning on massive graphs (e.g., social and e-commerce networks) that exceed the storage and computational capacity of a single machine. To reach performance comparable to centralized training,…

Machine Learning · Computer Science 2023-05-18 Jiong Zhu , Aishwarya Reganti , Edward Huang , Charles Dickens , Nikhil Rao , Karthik Subbian , Danai Koutra

Recent advancements for large-scale pre-training with neural signals such as electroencephalogram (EEG) have shown promising results, significantly boosting the development of brain-computer interfaces (BCIs) and healthcare. However, these…

Signal Processing · Electrical Eng. & Systems 2025-03-21 Wei-Bang Jiang , Yansen Wang , Bao-Liang Lu , Dongsheng Li

Graph Neural Networks (GNNs) have shown success in learning from graph-structured data, with applications to fraud detection, recommendation, and knowledge graph reasoning. However, training GNN efficiently is challenging because: 1) GPU…

Machine Learning · Computer Science 2021-11-12 Seung Won Min , Kun Wu , Mert Hidayetoğlu , Jinjun Xiong , Xiang Song , Wen-mei Hwu
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