Are Graph Neural Networks Optimal Approximation Algorithms?

Fuente: arXiv
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Autori principali: Yau, Morris, Karalias, Nikolaos, Lu, Eric, Xu, Jessica, Jegelka, Stefanie
Natura: Preprint
Pubblicazione: 2023
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author Yau, Morris
Karalias, Nikolaos
Lu, Eric
Xu, Jessica
Jegelka, Stefanie
author_facet Yau, Morris
Karalias, Nikolaos
Lu, Eric
Xu, Jessica
Jegelka, Stefanie
contents 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). Concretely, we prove that polynomial-sized message-passing algorithms can represent the most powerful polynomial time algorithms for Max Constraint Satisfaction Problems assuming the Unique Games Conjecture. We leverage this result to construct efficient graph neural network architectures, OptGNN, that obtain high-quality approximate solutions on landmark combinatorial optimization problems such as Max-Cut, Min-Vertex-Cover, and Max-3-SAT. Our approach achieves strong empirical results across a wide range of real-world and synthetic datasets against solvers and neural baselines. Finally, we take advantage of OptGNN's ability to capture convex relaxations to design an algorithm for producing bounds on the optimal solution from the learned embeddings of OptGNN.
format Preprint
id arxiv_https___arxiv_org_abs_2310_00526
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle Are Graph Neural Networks Optimal Approximation Algorithms?
Yau, Morris
Karalias, Nikolaos
Lu, Eric
Xu, Jessica
Jegelka, Stefanie
Machine Learning
Artificial Intelligence
Discrete Mathematics
Data Structures and Algorithms
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). Concretely, we prove that polynomial-sized message-passing algorithms can represent the most powerful polynomial time algorithms for Max Constraint Satisfaction Problems assuming the Unique Games Conjecture. We leverage this result to construct efficient graph neural network architectures, OptGNN, that obtain high-quality approximate solutions on landmark combinatorial optimization problems such as Max-Cut, Min-Vertex-Cover, and Max-3-SAT. Our approach achieves strong empirical results across a wide range of real-world and synthetic datasets against solvers and neural baselines. Finally, we take advantage of OptGNN's ability to capture convex relaxations to design an algorithm for producing bounds on the optimal solution from the learned embeddings of OptGNN.
title Are Graph Neural Networks Optimal Approximation Algorithms?
topic Machine Learning
Artificial Intelligence
Discrete Mathematics
Data Structures and Algorithms
url https://arxiv.org/abs/2310.00526