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In Nature Machine Intelligence 4, 367 (2022), Schuetz et al provide a scheme to employ graph neural networks (GNN) as a heuristic to solve a variety of classical, NP-hard combinatorial optimization problems. It describes how the network is…

无序系统与神经网络 · 物理学 2023-01-03 Stefan Boettcher

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

机器学习 · 统计学 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses…

机器学习 · 统计学 2026-02-20 Juntong Chen , Claire Donnat , Olga Klopp , Johannes Schmidt-Hieber

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

In this work, we propose to employ information-geometric tools to optimize a graph neural network architecture such as the graph convolutional networks. More specifically, we develop optimization algorithms for the graph-based…

机器学习 · 计算机科学 2020-08-25 Mohammad Rasool Izadi , Yihao Fang , Robert Stevenson , Lizhen Lin

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

机器学习 · 计算机科学 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Graph Neural Networks (GNNs) have greatly advanced the semi-supervised node classification task on graphs. The majority of existing GNNs are trained in an end-to-end manner that can be viewed as tackling a bi-level optimization problem.…

机器学习 · 计算机科学 2023-07-20 Haoyu Han , Xiaorui Liu , Haitao Mao , MohamadAli Torkamani , Feng Shi , Victor Lee , Jiliang Tang

Graph Neural Networks (GNNs) are a form of deep learning that enable a wide range of machine learning applications on graph-structured data. The learning of GNNs, however, is known to pose challenges for memory-constrained devices such as…

机器学习 · 计算机科学 2023-05-01 Jeroen Bollen , Jasper Steegmans , Jan Van den Bussche , Stijn Vansummeren

Graph Neural Networks (GNNs) have been studied through the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the…

机器学习 · 计算机科学 2021-05-27 Keyulu Xu , Mozhi Zhang , Stefanie Jegelka , Kenji Kawaguchi

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

机器学习 · 计算机科学 2023-12-12 Victor M. Tenorio , Samuel Rey , Antonio G. Marques

Many combinatorial optimization problems can be phrased in the language of constraint satisfaction problems. We introduce a graph neural network architecture for solving such optimization problems. The architecture is generic; it works for…

人工智能 · 计算机科学 2020-02-12 Jan Toenshoff , Martin Ritzert , Hinrikus Wolf , Martin Grohe

Exact solution of hard combinatorial optimization problems often relies on strong convex relaxations, but solving these relaxations repeatedly inside a branch-and-bound algorithm can be prohibitively expensive. Hence, we consider this…

机器学习 · 计算机科学 2026-05-11 Hao Chen , Chendi Qian , Christopher Morris , Andrea Lodi , Can Li

Combinatorial optimization problems are pervasive across science and industry. Modern deep learning tools are poised to solve these problems at unprecedented scales, but a unifying framework that incorporates insights from statistical…

机器学习 · 计算机科学 2022-04-26 Martin J. A. Schuetz , J. Kyle Brubaker , Helmut G. Katzgraber

We explore the use of graph neural networks (GNNs) to model spatial processes in which there is no a priori graphical structure. Similar to finite element analysis, we assign nodes of a GNN to spatial locations and use a computational…

Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model…

机器学习 · 计算机科学 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

机器学习 · 计算机科学 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

机器学习 · 计算机科学 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan

In this work we design graph neural network architectures that capture optimal approximation algorithms for a large class of combinatorial optimization problems, using powerful algorithmic tools from semidefinite programming (SDP).…

机器学习 · 计算机科学 2024-10-08 Morris Yau , Nikolaos Karalias , Eric Lu , Jessica Xu , Stefanie Jegelka

With the rapid development of deep learning techniques, various recent work has tried to apply graph neural networks (GNNs) to solve NP-hard problems such as Boolean Satisfiability (SAT), which shows the potential in bridging the gap…

人工智能 · 计算机科学 2021-11-16 Minghao Liu , Fuqi Jia , Pei Huang , Fan Zhang , Yuchen Sun , Shaowei Cai , Feifei Ma , Jian Zhang

The minimum cost multicut problem is the NP-hard/APX-hard combinatorial optimization problem of partitioning a real-valued edge-weighted graph such as to minimize the total cost of the partition. While graph convolutional neural networks…

机器学习 · 计算机科学 2022-04-05 Steffen Jung , Margret Keuper
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