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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

Convolutional Neural Networks (CNNs) are pivotal in computer vision and Big Data analytics but demand significant computational resources when trained on large-scale datasets. Conventional training via back-propagation (BP) with losses like…

Machine Learning · Computer Science 2025-06-03 Aasish Kumar Sharma , Sanjeeb Prashad Pandey , Julian M. Kunkel

Graph neural networks (GNNs) have struggled to outperform traditional optimization methods on combinatorial problems, limiting their practical impact. We address this gap by introducing a novel chaining procedure for the graph alignment…

Machine Learning · Computer Science 2025-10-06 Marc Lelarge

In the field of quantum computing, combinatorial optimization problems are typically addressed using QUBO (Quadratic Unconstrained Binary Optimization) solvers. However, these solvers are often insufficient for tackling higher-order…

Quantum Physics · Physics 2024-07-24 Yuichiro Minato

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Machine Learning · Computer Science 2020-03-10 Henrique Lemos , Marcelo Prates , Pedro Avelar , Luis Lamb

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

Quadratic Unconstrained Binary Optimization (QUBO) is a general-purpose modeling framework for combinatorial optimization problems and is a requirement for quantum annealers. This paper utilizes the eigenvalue decomposition of the…

Optimization and Control · Mathematics 2021-06-22 Amit Verma , Mark Lewis

Quadratic Unconstrained Binary Optimization (QUBO) is recognized as a unifying framework for modeling a wide range of problems. Problems can be solved with commercial solvers customized for solving QUBO and since QUBO have degree two, it is…

Optimization and Control · Mathematics 2021-07-27 Amit Verma , Mark Lewis , Gary Kochenberger

Many artificial intelligence (AI) problems naturally map to NP-hard optimization problems. This has the interesting consequence that enabling human-level capability in machines often requires systems that can handle formally intractable…

Quantum Physics · Physics 2009-09-29 Hartmut Neven , Geordie Rose , William G. Macready

While Annealing Machines (AM) have shown increasing capabilities in solving complex combinatorial problems, positioning themselves as a more immediate alternative to the expected advances of future fully quantum solutions, there are still…

Artificial Intelligence · Computer Science 2025-01-13 Pablo Loyola , Kento Hasegawa , Andres Hoyos-Idobro , Kazuo Ono , Toyotaro Suzumura , Yu Hirate , Masanao Yamaoka

Multi-Agent Path Finding (MAPF) remains a fundamental challenge in robotics, where classical centralized approaches exhibit exponential growth in joint-state complexity as the number of agents increases. This paper investigates Quadratic…

Robotics · Computer Science 2026-02-17 Javier González Villasmil

Combinatorial optimization problems are typically formulated using Quadratic Unconstrained Binary Optimization (QUBO), where constraints are enforced through penalty terms that introduce auxiliary variables and rapidly increase Hamiltonian…

Quantum Physics · Physics 2026-02-10 Shashank Sanjay Bhat , Peiyong Wang , Joseph West , Udaya Parampalli

Combinatorial optimization problems, integral to various scientific and industrial applications, often vary significantly in their complexity and computational difficulty. Transforming such problems into Quadratic Unconstrained Binary…

Quantum Physics · Physics 2024-04-04 Thore Gerlach , Sascha Mücke

Representing and learning from graphs is essential for developing effective machine learning models tailored to non-Euclidean data. While Graph Neural Networks (GNNs) strive to address the challenges posed by complex, high-dimensional graph…

Quantum Physics · Physics 2025-01-15 Wenxuan Wang

Graph partitioning is one of an important set of well-known compute-intense (NP-hard) graph problems that devolve to discrete constrained optimization. We sampled solutions to the problem via two different quantum-ready methods to…

In the last decade or so, we have witnessed deep learning reinvigorating the machine learning field. It has solved many problems in the domains of computer vision, speech recognition, natural language processing, and various other tasks…

Machine Learning · Computer Science 2021-09-09 Lilapati Waikhom , Ripon Patgiri

Recently, the study of graph neural network (GNN) has attracted much attention and achieved promising performance in molecular property prediction. Most GNNs for molecular property prediction are proposed based on the idea of learning the…

Machine Learning · Computer Science 2021-04-15 Yingfang Yuan , Wenjun Wang , Wei Pang

We discuss several mappings from well-known NP-hard problems to Quadratic Unconstrained Binary Optimisation problems which are treated incorrectly by Lucas. We provide counterexamples and correct the mappings. We also extend the body of…

Data Structures and Algorithms · Computer Science 2020-08-04 Bas Lodewijks

Graph Neural Networks (GNNs) are effective for processing graph-structured data but face challenges with large graphs due to high memory requirements and inefficient sparse matrix operations on GPUs. Quantum Computing (QC) offers a…

Machine Learning · Computer Science 2025-11-04 Mikel Casals , Vasilis Belis , Elias F. Combarro , Eduard Alarcón , Sofia Vallecorsa , Michele Grossi

Graph Neural Networks (GNNs) can predict the performance of an industrial design quickly and accurately and be used to optimize its shape effectively. However, to fully explore the shape space, one must often consider shapes deviating…

Machine Learning · Computer Science 2023-10-03 Nikita Durasov , Artem Lukoyanov , Jonathan Donier , Pascal Fua