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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…

Machine Learning · Computer Science 2022-04-26 Martin J. A. Schuetz , J. Kyle Brubaker , Helmut G. Katzgraber

Graph-structured data is ubiquitous throughout natural and social sciences, and Graph Neural Networks (GNNs) have recently been shown to be effective at solving prediction and inference problems on graph data. In this paper, we propose and…

Machine Learning · Computer Science 2024-01-12 Victoria M. Dax , Jiachen Li , Kevin Leahy , Mykel J. Kochenderfer

In recent years, graph neural networks (GNNs) have become increasingly popular for solving NP-hard combinatorial optimization (CO) problems, such as maximum cut and maximum independent set. The core idea behind these methods is to represent…

Machine Learning · Computer Science 2024-06-11 Yang Liu , Peng Zhang , Yang Gao , Chuan Zhou , Zhao Li , Hongyang Chen

Quadratic Unconstrained Binary Optimization (QUBO) is a generic technique to model various NP-hard Combinatorial Optimization problems (CO) in the form of binary variables. Ising Hamiltonian is used to model the energy function of a system.…

Machine Learning · Computer Science 2023-12-13 Redwan Ahmed Rizvee , Raheeb Hassan , Md. Mosaddek Khan

Quadratic Unconstrained Binary Optimization (QUBO) is a generic technique to model various NP-hard combinatorial optimization problems in the form of binary variables. The Hamiltonian function is often used to formulate QUBO problems where…

Artificial Intelligence · Computer Science 2023-09-29 Redwan Ahmed Rizvee , Md. Mosaddek Khan

In recent years, there has been notable interest in investigating combinatorial optimization (CO) problems by neural-based framework. An emerging strategy to tackle these challenging problems involves the adoption of graph neural networks…

Machine Learning · Computer Science 2024-06-11 Yang Liu , Chuan Zhou , Peng Zhang , Shirui Pan , Zhao Li , Hongyang Chen

The recent work ``Combinatorial Optimization with Physics-Inspired Graph Neural Networks'' [Nat Mach Intell 4 (2022) 367] introduces a physics-inspired unsupervised Graph Neural Network (GNN) to solve combinatorial optimization problems on…

Machine Learning · Computer Science 2023-01-04 Maria Chiara Angelini , Federico Ricci-Tersenghi

Graph neural networks (GNNs) have emerged as a powerful tool for solving combinatorial optimization problems (COPs), exhibiting state-of-the-art performance in both graph-structured and non-graph-structured domains. However, existing…

Artificial Intelligence · Computer Science 2024-06-21 Yaochu Jin , Xueming Yan , Shiqing Liu , Xiangyu Wang

In recent years, graph neural networks (GNNs) have been widely applied in tackling combinatorial optimization problems. However, existing methods still suffer from limited accuracy when addressing that on complex graphs and exhibit poor…

Machine Learning · Computer Science 2025-11-13 Yuyao Long

Combinatorial optimization (CO) problems are crucial in various scientific and industrial applications. Recently, researchers have proposed using unsupervised Graph Neural Networks (GNNs) to address NP-hard combinatorial optimization…

Machine Learning · Computer Science 2024-07-24 Daria Pugacheva , Andrei Ermakov , Igor Lyskov , Ilya Makarov , Yuriy Zotov

Combinatorial optimization is a well-established area in operations research and computer science. Until recently, its methods have focused on solving problem instances in isolation, ignoring that they often stem from related data…

Machine Learning · Computer Science 2023-09-06 Quentin Cappart , Didier Chételat , Elias Khalil , Andrea Lodi , Christopher Morris , Petar Veličković

Production forecast based on historical data provides essential value for developing hydrocarbon resources. Classic history matching workflow is often computationally intense and geometry-dependent. Analytical data-driven models like…

Machine Learning · Computer Science 2022-09-27 Wendi Liu , Michael J. Pyrcz

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…

Machine Learning · Computer Science 2023-12-12 Victor M. Tenorio , Samuel Rey , Antonio G. Marques

Teaching Graph Neural Networks (GNNs) to accurately classify nodes under severely noisy labels is an important problem in real-world graph learning applications, but is currently underexplored. Although pairwise training methods have…

Machine Learning · Computer Science 2023-06-06 Xuefeng Du , Tian Bian , Yu Rong , Bo Han , Tongliang Liu , Tingyang Xu , Wenbing Huang , Yixuan Li , Junzhou Huang

Mixed-integer programming (MIP) technology offers a generic way of formulating and solving combinatorial optimization problems. While generally reliable, state-of-the-art MIP solvers base many crucial decisions on hand-crafted heuristics,…

Machine Learning · Computer Science 2022-05-31 Elias B. Khalil , Christopher Morris , Andrea Lodi

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…

Artificial Intelligence · Computer Science 2020-02-12 Jan Toenshoff , Martin Ritzert , Hinrikus Wolf , Martin Grohe

Combinatorial optimization problems near algorithmic phase transitions represent a fundamental challenge for both classical algorithms and machine learning approaches. Among them, graph coloring stands as a prototypical constraint…

Why rely on dense neural networks and then blindly sparsify them when prior knowledge about the problem structure is already available? Many inverse problems admit algorithm-unrolled networks that naturally encode physics and sparsity. In…

Machine Learning · Computer Science 2025-10-14 Arian Eamaz , Farhang Yeganegi , Mojtaba Soltanalian

We investigate a link between Graph Neural Networks (GNNs) and Quadratic Unconstrained Binary Optimization (QUBO) problems, laying the groundwork for GNNs to approximate solutions for these computationally challenging tasks. By analyzing…

Machine Learning · Computer Science 2025-08-26 Moshe Eliasof , Eldad Haber

Physics-based deep learning frameworks have shown to be effective in accurately modeling the dynamics of complex physical systems with generalization capability across problem inputs. However, time-independent problems pose the challenge of…

Machine Learning · Computer Science 2023-03-29 Rini Jasmine Gladstone , Helia Rahmani , Vishvas Suryakumar , Hadi Meidani , Marta D'Elia , Ahmad Zareei
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