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Hyperparameter optimization (HPO) is a necessary step to ensure the best possible performance of Machine Learning (ML) algorithms. Several methods have been developed to perform HPO; most of these are focused on optimizing one performance…

Machine Learning · Computer Science 2022-11-16 Alejandro Morales-Hernández , Inneke Van Nieuwenhuyse , Sebastian Rojas Gonzalez

Quantum computing (QC) introduces a novel mode of computation with the possibility of greater computational power that remains to be exploited - presenting exciting opportunities for high performance computing (HPC) applications. However,…

Many important computational problems require utilization of high performance computing (HPC) systems that consist of multi-level structures combining higher and higher numbers of devices with various characteristics. Utilizing full power…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-09-21 Paweł Rościszewski

We propose a new hybrid topology optimization algorithm based on multigrid approach that combines the parallelization strategy of CPU using OpenMP and heavily multithreading capabilities of modern Graphics Processing Units (GPU). In…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-02-01 Arya Prakash Padhi , Souvik Chakraborty , Anupam Chakrabarti , Rajib Chowdhury

Achieving high-performance computation on quantum systems presents a formidable challenge that necessitates bridging the capabilities between quantum hardware and classical computing resources. This study introduces an innovative…

Quantum Physics · Physics 2024-03-19 Kuan-Cheng Chen , Xiaoren Li , Xiaotian Xu , Yun-Yuan Wang , Chen-Yu Liu

In recent years, quantum, quantum-inspired, and hybrid algorithms are increasingly showing promise for solving software engineering optimization problems. However, best-intended practices for conducting empirical studies have not yet well…

Software Engineering · Computer Science 2025-11-03 Man Zhang , Yuechen Li , Tao Yue , Kai-Yuan Cai

Machine learning algorithms have been used widely in various applications and areas. To fit a machine learning model into different problems, its hyper-parameters must be tuned. Selecting the best hyper-parameter configuration for machine…

Machine Learning · Computer Science 2022-10-06 Li Yang , Abdallah Shami

In model-predictive control (MPC), achieving the best closed-loop performance under a given computational resource is the underlying design consideration. This paper analyzes the MPC design problem with control performance and required…

Optimization and Control · Mathematics 2016-04-25 Vincent Bachtiar , Chris Manzie , William H. Moase , Eric C. Kerrigan

Resource-limited robots face significant challenges in executing computationally intensive tasks, such as locomotion and manipulation, particularly for real-time optimal control algorithms like Model Predictive Control (MPC). This paper…

Programming for today's quantum computers is making significant strides toward modern workflows compatible with high performance computing (HPC), but fundamental challenges still remain in the integration of these vastly different…

Quantum computers have demonstrated utility in simulating quantum systems beyond brute-force classical approaches. As the community builds on these demonstrations to explore using quantum computing for applied research, algorithms and…

The development of new materials and structures for extreme conditions including impact remains a continuing challenge despite steady advances. Design is currently accomplished using a sequential approach: an optimal material is first…

Materials Science · Physics 2021-06-14 Xingsheng Sun , Burigede Liu , Kaushik Bhattacharya , Michael Ortiz

We discuss the computational bottlenecks in molecular dynamics (MD) and describe the challenges in parallelizing the computation intensive tasks. We present a hybrid algorithm using MPI (Message Passing Interface) with OpenMP threads for…

Computational Physics · Physics 2015-07-28 Anirban Pal , Abhishek Agarwala , Soumyendu Raha , Baidurya Bhattacharya

We explored the possible benefits of integrating quantum simulators in a "hybrid" quantum machine learning (QML) workflow that uses both classical and quantum computations in a high-performance computing (HPC) environment. Here, we used two…

Emerging Technologies · Computer Science 2024-07-11 Samuel T. Bieberich , Michael A. Sandoval

Nonlinear Model Predictive Control (NMPC) is a general and flexible control approach, used in many industrial contexts, and is based on the online solution of a nonlinear optimization problem. This operation requires in general a high…

Systems and Control · Electrical Eng. & Systems 2024-11-06 Carlo Novara , Mattia Boggio , Deborah Volpe

Quantum computing resources are among the most promising candidates for extending the computational capabilities of High-Performance Computing (HPC) systems. As a result, HPC-quantum integration has become an increasingly active area of…

This paper presents a comprehensive software stack architecture for integrating quantum computing (QC) capabilities with High-Performance Computing (HPC) environments. While quantum computers show promise as specialized accelerators for…

Quantum computing promises to revolutionize various fields, yet the execution of quantum programs necessitates an effective compilation process. This involves strategically mapping quantum circuits onto the physical qubits of a quantum…

Quantum Physics · Physics 2024-12-19 Tian Li , Xiao-Yue Xu , Chen Ding , Tian-Ci Tian , Wei-You Liao , Shuo Zhang , He-Liang Huang

Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry, and materials science. While the majority of…

Quantum Physics · Physics 2022-10-03 Paul K. Faehrmann , Mark Steudtner , Richard Kueng , Maria Kieferova , Jens Eisert

Quantum algorithms for simulating large and complex molecular systems are still in their infancy, and surpassing state-of-the-art classical techniques remains an ever-receding goal post. A promising avenue of inquiry in the meanwhile is to…

Quantum Physics · Physics 2025-08-07 Soohaeng Yoo Willow , D. ChangMo Yang , Chang Woo Myung