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In this paper, we consider the network slicing problem which attempts to map multiple customized virtual network requests (also called services) to a common shared network infrastructure and allocate network resources to meet diverse…

Information Theory · Computer Science 2022-03-01 Wei-Kun Chen , Ya-Feng Liu , Yu-Hong Dai , Zhi-Quan Luo

Coarse-graining (CG) enables molecular dynamics (MD) simulations of larger systems and longer timescales that are otherwise infeasible with atomistic models. Machine learning potentials (MLPs), with their capacity to capture many-body…

Chemical Physics · Physics 2025-12-01 Weilong Chen , Franz Görlich , Paul Fuchs , Julija Zavadlav

Machine learning interatomic potentials (MLIPs) provide a computationally efficient alternative to quantum mechanical simulations for predicting material properties. Message-passing graph neural networks, commonly used in these MLIPs, rely…

Chemical Physics · Physics 2025-09-08 Moin Uddin Maruf , Sungmin Kim , Zeeshan Ahmad

The Quantum Approximate Optimization Algorithm can naturally be applied to combinatorial search problems on graphs. The quantum circuit has p applications of a unitary operator that respects the locality of the graph. On a graph with…

Quantum Physics · Physics 2020-04-21 Edward Farhi , David Gamarnik , Sam Gutmann

Intelligent motion planning is one of the core components in automated vehicles, which has received extensive interests. Traditional motion planning methods suffer from several drawbacks in terms of optimality, efficiency and generalization…

Robotics · Computer Science 2020-05-12 Chenyang Xi , Tianyu Shi , Yuankai Wu , Lijun Sun

Graph partitioning has many applications in powersystems from decentralized state estimation to parallel simulation. Focusing on parallel simulation, optimal grid partitioning minimizes the idle time caused by different simulation times for…

Systems and Control · Electrical Eng. & Systems 2025-07-14 Carsten Hartmann , Junjie Zhang , Carlos D. Gonzalez Calaza , Thiemo Pesch , Kristel Michielsen , Andrea Benigni

The development of machine learning models has led to an abundance of datasets containing quantum mechanical (QM) calculations for molecular and material systems. However, traditional training methods for machine learning models are unable…

Following the recent push for trustworthy AI, there has been an increasing interest in developing contrastive explanation techniques for optimisation, especially concerning the solution of specific decision-making processes formalised as…

Artificial Intelligence · Computer Science 2025-07-18 Roger Xavier Lera-Leri , Filippo Bistaffa , Athina Georgara , Juan Antonio Rodriguez-Aguilar

Attack trees (ATs) are an important tool in security analysis, and an important part of AT analysis is computing metrics. However, metric computation is NP-complete in general. In this paper, we showcase the use of mixed integer linear…

Cryptography and Security · Computer Science 2023-09-12 Milan Lopuhaä-Zwakenberg , Mariëlle Stoelinga

Lagrangian relaxation stands among the most efficient approaches for solving a Mixed Integer Linear Programs (MILP) with difficult constraints. Given any duals for these constraints, called Lagrangian Multipliers (LMs), it returns a bound…

Machine Learning · Computer Science 2024-10-21 Francesco Demelas , Joseph Le Roux , Mathieu Lacroix , Axel Parmentier

Quantum annealing approximately solves combinatorial optimization problems by leveraging the principles of adiabatic quantum systems. In this approach, the system's Hamiltonian evolves from an initial general state to a problem-specific…

We propose two algorithms that use both models and datasets to estimate angular power spectra from channel covariance matrices in massive MIMO systems. The first algorithm is an iterative fixed-point method that solves a hierarchical…

Signal Processing · Electrical Eng. & Systems 2020-12-11 Renato Luis Garrido Cavalcante , Slawomir Stanczak

Mixed-Integer Quadratic Programming (MIQP) has been identified as a suitable approach for finding an optimal solution to the behavior planning problem with low runtimes. Logical constraints and continuous equations are optimized alongside.…

Robotics · Computer Science 2021-01-14 Klemens Esterle , Tobias Kessler , Alois Knoll

This paper proposes an application mapping algorithm, BandMap, for coarse-grained reconfigurable array (CGRA), which allocates the bandwidth in PE array according to the transferring demands of data, especially the data with high spatial…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-10-11 Xiaobing Ni , Jiaheng Ruan , Mengke Ge , Wendi Sun , Song Chen , Yi Kang

Machine-learned interatomic potentials (MLIPs) are revolutionizing computational materials science and chemistry by offering an efficient alternative to {\em ab initio} molecular dynamics (MD) simulations. However, fitting high-quality…

Computational Physics · Physics 2025-12-12 Ilgar Baghishov , Jan Janssen , Graeme Henkelman , Danny Perez

Most combinatorial optimization problems can be formulated as mixed integer linear programming (MILP), in which branch-and-bound (B\&B) is a general and widely used method. Recently, learning to branch has become a hot research topic in the…

Machine Learning · Computer Science 2022-01-19 Qingyu Qu , Xijun Li , Yunfan Zhou , Jia Zeng , Mingxuan Yuan , Jie Wang , Jinhu Lv , Kexin Liu , Kun Mao

Machine-learned interatomic potentials (MLIPs) are increasingly used to replace computationally demanding electronic-structure calculations to model matter at the atomic scale. The most commonly used model architectures are constrained to…

Chemical Physics · Physics 2026-03-30 Filippo Bigi , Paolo Pegolo , Arslan Mazitov , Jonathan Schmidt , Michele Ceriotti

While Mixed-integer linear programming (MILP) is NP-hard in general, practical MILP has received roughly 100--fold speedup in the past twenty years. Still, many classes of MILPs quickly become unsolvable as their sizes increase, motivating…

Machine Learning · Computer Science 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

Advances in quantum algorithms suggest a tentative scaling advantage on certain combinatorial optimization problems. Recent work, however, has also reinforced the idea that barren plateaus render variational algorithms ineffective on large…

Quantum Physics · Physics 2025-03-14 Tim Bode , Krish Ramesh , Tobias Stollenwerk

Optimal planning with respect to learned neural network (NN) models in continuous action and state spaces using mixed-integer linear programming (MILP) is a challenging task for branch-and-bound solvers due to the poor linear relaxation of…

Artificial Intelligence · Computer Science 2019-07-29 Buser Say , Scott Sanner , Sylvie Thiébaux