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Graphs are fundamental objects that find widespread applications across computer science and beyond. Graph Theory has yielded deep insights about structural properties of various families of graphs, which are leveraged in the design and…

Data Structures and Algorithms · Computer Science 2023-08-30 Rachit Nimavat

Balanced hypergraph partitioning is an NP-hard problem with many applications, e.g., optimizing communication in distributed data placement problems. The goal is to place all nodes across $k$ different blocks of bounded size, such that…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-03 Lars Gottesbüren , Tobias Heuer , Nikolai Maas , Peter Sanders , Sebastian Schlag

Combinatorial optimization problems arise in logistics, scheduling, and resource allocation, yet existing approaches face a fundamental trade-off among generality, performance, and usability. We present cuGenOpt, a GPU-accelerated…

Artificial Intelligence · Computer Science 2026-03-20 Yuyang Liu

Combinatorial optimization problems are notoriously challenging for neural networks, especially in the absence of labeled instances. This work proposes an unsupervised learning framework for CO problems on graphs that can provide integral…

Machine Learning · Computer Science 2021-03-09 Nikolaos Karalias , Andreas Loukas

Hybridizing machine learning techniques with metaheuristics has attracted significant attention in recent years. Many attempts employ supervised or reinforcement learning to support the decision-making of heuristic methods. However, in some…

Machine Learning · Computer Science 2026-02-25 Bruna C. B. Charytitsch , Mariá C. V. Nascimento

The modeling flexibility provided by hypergraphs has drawn a lot of interest from the combinatorial scientific community, leading to novel models and algorithms, their applications, and development of associated tools. Hypergraphs are now a…

Data Structures and Algorithms · Computer Science 2015-03-19 Enver Kayaaslan , Ali Pinar , Umit V. Catalyurek , Cevdet Aykanat

The problem of accelerating drug discovery relies heavily on automatic tools to optimize precursor molecules to afford them with better biochemical properties. Our work in this paper substantially extends prior state-of-the-art on…

Chemical Physics · Physics 2019-10-22 Wengong Jin , Regina Barzilay , Tommi Jaakkola

Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without requiring expert knowledge. However, these solvers exhibit significant…

Artificial Intelligence · Computer Science 2025-01-22 Zhi Zheng , Changliang Zhou , Tong Xialiang , Mingxuan Yuan , Zhenkun Wang

System performance for networks composed of interconnected subsystems can be increased if the traditionally separated subsystems are jointly optimized. Recently, parallel and distributed optimization methods have emerged as a powerful tool…

Optimization and Control · Mathematics 2013-02-14 Ion Necoara , Valentin Nedelcu , Ioan Dumitrache

Many distributed optimization algorithms achieve existentially-optimal running times, meaning that there exists some pathological worst-case topology on which no algorithm can do better. Still, most networks of interest allow for…

Data Structures and Algorithms · Computer Science 2023-12-29 Bernhard Haeupler , David Wajc , Goran Zuzic

Hypergraph partitioning is a pervasive NP-hard problem, and accelerating its computation on GPU can both slice time-to-solution and raise quality of results. In this work, we implement a multi-level hypergraph partitioning algorithm on GPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-17 Marco Ronzani , Cristina Silvano

We present an integrated prediction-optimization (PredOpt) framework to efficiently solve sequential decision-making problems by predicting the values of binary decision variables in an optimal solution. We address the key issues of…

Machine Learning · Computer Science 2023-11-14 Dogacan Yilmaz , İ. Esra Büyüktahtakın

Motivation: Drug repurposing is a viable solution for reducing the time and cost associated with drug development. However, thus far, the proposed drug repurposing approaches still need to meet expectations. Therefore, it is crucial to…

Machine Learning · Computer Science 2024-05-21 Ali Gharizadeh , Karim Abbasi , Amin Ghareyazi , Mohammad R. K. Mofrad , Hamid R. Rabiee

Large deep learning models have shown great potential for delivering exceptional results in various applications. However, the training process can be incredibly challenging due to the models' vast parameter sizes, often consisting of…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-14 Zhengqing Yuan , Huiwen Xue , Chao Zhang , Yongming Liu

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

Recently, message-passing graph neural networks (MPNNs) have shown potential for solving combinatorial and continuous optimization problems due to their ability to capture variable-constraint interactions. While existing approaches leverage…

Artificial Intelligence · Computer Science 2025-02-05 Chendi Qian , Christopher Morris

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

From logistics to the natural sciences, combinatorial optimisation on graphs underpins numerous real-world applications. Reinforcement learning (RL) has shown particular promise in this setting as it can adapt to specific problem structures…

Machine Learning · Computer Science 2022-05-30 Thomas D. Barrett , Christopher W. F. Parsonson , Alexandre Laterre

We suggest a reduction of the combinatorial problem of hypergraph partitioning to a continuous optimization problem.

Data Structures and Algorithms · Computer Science 2019-09-19 Alexander Mishchenko , Vladimir Manuilov , Chao You , Han Yang

In this paper, we develop a distributed algorithm for solving a class of distributed convex optimization problems where the local objective functions can be a general nonsmooth function, and all equalities and inequalities are network-wide…

Optimization and Control · Mathematics 2026-04-14 Yeong-Ung Kim , Hyo-Sung Ahn
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