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Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

无序系统与神经网络 · 物理学 2026-02-23 O. Duranthon , L. Zdeborová

Recent works show that the graph structure of sentences, generated from dependency parsers, has potential for improving event detection. However, they often only leverage the edges (dependencies) between words, and discard the dependency…

计算与语言 · 计算机科学 2021-05-06 Sanghamitra Dutta , Liang Ma , Tanay Kumar Saha , Di Lu , Joel Tetreault , Alejandro Jaimes

We present a systematic investigation using graph neural networks (GNNs) to model organic chemical reactions. To do so, we prepared a dataset collection of four ubiquitous reactions from the organic chemistry literature. We evaluate seven…

机器学习 · 计算机科学 2020-07-10 Serim Ryou , Michael R. Maser , Alexander Y. Cui , Travis J. DeLano , Yisong Yue , Sarah E. Reisman

We propose a graph neural network (GNN)-based method to predict the distribution of penalties induced by outages in communication networks, where connections are protected by resources shared between working and backup paths. The GNN-based…

网络与互联网体系结构 · 计算机科学 2023-06-22 Krzysztof Rusek , Piotr Boryło , Piotr Jaglarz , Fabien Geyer , Albert Cabellos , Piotr Chołda

Graph neural networks (GNNs) appear to be powerful tools to learn state representations for agents in distributed, decentralized multi-agent systems, but generate catastrophically incorrect predictions when nodes update asynchronously…

机器学习 · 计算机科学 2025-07-23 Olga Solodova , Nick Richardson , Deniz Oktay , Ryan P. Adams

Traffic prediction is a fundamental and vital task in Intelligence Transportation System (ITS), but it is very challenging to get high accuracy while containing low computational complexity due to the spatiotemporal characteristics of…

人工智能 · 计算机科学 2018-11-05 Xiaoyu Wang , Cailian Chen , Yang Min , Jianping He , Bo Yang , Yang Zhang

As one of the most fundamental tasks in graph theory, subgraph matching is a crucial task in many fields, ranging from information retrieval, computer vision, biology, chemistry and natural language processing. Yet subgraph matching problem…

机器学习 · 计算机科学 2022-09-19 Zixun Lan , Limin Yu , Linglong Yuan , Zili Wu , Qiang Niu , Fei Ma

Graph neural networks (GNNs) have recently exploded in popularity thanks to their broad applicability to ubiquitous graph-related problems such as quantum chemistry, drug discovery, and high energy physics. However, meeting demand for novel…

机器学习 · 计算机科学 2022-01-24 Stefan Abi-Karam , Yuqi He , Rishov Sarkar , Lakshmi Sathidevi , Zihang Qiao , Cong Hao

Automated Machine Learning with ensembling (or AutoML with ensembling) seeks to automatically build ensembles of Deep Neural Networks (DNNs) to achieve qualitative predictions. Ensemble of DNNs are well known to avoid over-fitting but they…

机器学习 · 计算机科学 2022-08-31 Pierrick Pochelu , Serge G. Petiton , Bruno Conche

Graph Neural Networks (GNNs) are efficient approaches to process graph-structured data. Modelling long-distance node relations is essential for GNN training and applications. However, conventional GNNs suffer from bad performance in…

机器学习 · 计算机科学 2020-05-19 Deli Chen , Xiaoqian Liu , Yankai Lin , Peng Li , Jie Zhou , Qi Su , Xu Sun

Agile hardware development requires fast and accurate circuit quality evaluation from early design stages. Existing work of high-level synthesis (HLS) performance prediction usually needs extensive feature engineering after the synthesis…

机器学习 · 计算机科学 2022-09-16 Nan Wu , Hang Yang , Yuan Xie , Pan Li , Cong Hao

Graph Neural Networks (GNNs) have been widely adopted for their ability to compute expressive node representations in graph datasets. However, serving GNNs on large graphs is challenging due to the high communication, computation, and…

分布式、并行与集群计算 · 计算机科学 2025-01-16 Geon-Woo Kim , Donghyun Kim , Jeongyoon Moon , Henry Liu , Tarannum Khan , Anand Iyer , Daehyeok Kim , Aditya Akella

Despite recent advances in representation learning in hypercomplex (HC) space, this subject is still vastly unexplored in the context of graphs. Motivated by the complex and quaternion algebras, which have been found in several contexts to…

机器学习 · 计算机科学 2022-02-22 Tuan Le , Marco Bertolini , Frank Noé , Djork-Arné Clevert

Graph similarity learning (GSL), also referred to as graph matching in many scenarios, is a fundamental problem in computer vision, pattern recognition, and graph learning. However, previous GSL methods assume that graphs are homogeneous…

机器学习 · 计算机科学 2025-03-13 Shilong Sang , Ke-Jia Chen , Zheng liu

Graph Neural Networks (GNNs) have been widely applied to various fields for learning over graph-structured data. They have shown significant improvements over traditional heuristic methods in various tasks such as node classification and…

机器学习 · 计算机科学 2022-06-10 Seongjun Yun , Seoyoon Kim , Junhyun Lee , Jaewoo Kang , Hyunwoo J. Kim

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

The goal of this paper is to test three classes of neural network (NN) architectures based on four-dimensional (4D) hypercomplex algebras for time series prediction. We evaluate different architectures, varying the input layers to include…

神经与进化计算 · 计算机科学 2024-02-14 Radosław Kycia , Agnieszka Niemczynowicz

Machine Learning (ML) has been applied to enable many life-assisting appli-cations, such as abnormality detection and emdergency request for the soli-tary elderly. However, in most cases machine learning algorithms depend on the layout of…

机器学习 · 计算机科学 2019-12-13 Johan Medrano , Fuchun Joseph Lin

Scene understanding plays an important role in several high-level computer vision applications, such as autonomous vehicles, intelligent video surveillance, or robotics. However, too few solutions have been proposed for indoor/outdoor scene…

计算机视觉与模式识别 · 计算机科学 2024-07-23 Ayman Beghdadi , Azeddine Beghdadi , Mohib Ullah , Faouzi Alaya Cheikh , Malik Mallem

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…

机器学习 · 计算机科学 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir