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Related papers: Understanding ML driven HPC: Applications and Infr…

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The convergence of HPC and data-intensive methodologies provide a promising approach to major performance improvements. This paper provides a general description of the interaction between traditional HPC and ML approaches and motivates the…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-03-01 Geoffrey Fox , James A. Glazier , JCS Kadupitiya , Vikram Jadhao , Minje Kim , Judy Qiu , James P. Sluka , Endre Somogyi , Madhav Marathe , Abhijin Adiga , Jiangzhuo Chen , Oliver Beckstein , Shantenu Jha

We explore the idea of integrating machine learning (ML) with high performance computing (HPC)-driven simulations to address challenges in using simulations to teach computational science and engineering courses. We demonstrate that a ML…

Physics Education · Physics 2020-09-01 Vikram Jadhao , JCS Kadupitiya

Increasingly, scientific discovery requires sophisticated and scalable workflows. Workflows have become the ``new applications,'' wherein multi-scale computing campaigns comprise multiple and heterogeneous executable tasks. In particular,…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-26 Shantenu Jha , Vincent R. Pascuzzi , Matteo Turilli

We present a taxonomy of research on Machine Learning (ML) applied to enhance simulations together with a catalog of some activities. We cover eight patterns for the link of ML to the simulations or systems plus three algorithmic areas:…

Machine Learning · Computer Science 2019-10-15 Geoffrey Fox , Shantenu Jha

Growing interest in Artificial Intelligence (AI) has resulted in a surge in demand for faster methods of Machine Learning (ML) model training and inference. This demand for speed has prompted the use of high performance computing (HPC)…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-08-26 Noah Lewis , Jean Luca Bez , Surendra Byna

With the growing complexity of computational and experimental facilities, many scientific researchers are turning to machine learning (ML) techniques to analyze large scale ensemble data. With complexities such as multi-component workflows,…

AI integration is revolutionizing the landscape of HPC simulations, enhancing the importance, use, and performance of AI-driven HPC workflows. This paper surveys the diverse and rapidly evolving field of AI-driven HPC and provides a common…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-26 Wes Brewer , Ana Gainaru , Frédéric Suter , Feiyi Wang , Murali Emani , Shantenu Jha

Traditional simulations on High-Performance Computing (HPC) systems typically involve modeling very large domains and/or very complex equations. HPC systems allow running large models, but limits in performance increase that have become…

Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

High-performance computing (HPC) centers consume substantial power, incurring environmental and operational costs. This review assesses how artificial intelligence (AI), including machine learning (ML) and optimization, improves the…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-03 Pierrick Pochelu , Hyacinthe Cartiaux , Julien Schleich

Machine learning-based performance models are increasingly being used to build critical job scheduling and application optimization decisions. Traditionally, these models assume that data distribution does not change as more samples are…

Machine Learning · Computer Science 2023-10-27 Ray A. O. Sinurat , Anurag Daram , Haryadi S. Gunawi , Robert B. Ross , Sandeep Madireddy

Recently, language models (LMs), especially large language models (LLMs), have revolutionized the field of deep learning. Both encoder-decoder models and prompt-based techniques have shown immense potential for natural language processing…

There is a growing consensus that solutions to complex science and engineering problems require novel methodologies that are able to integrate traditional physics-based modeling approaches with state-of-the-art machine learning (ML)…

Computational Physics · Physics 2022-03-15 Jared Willard , Xiaowei Jia , Shaoming Xu , Michael Steinbach , Vipin Kumar

We propose a simulation-based approach for performance modeling of parallel applications on high-performance computing platforms. Our approach enables full-system performance modeling: (1) the hardware platform is represented by an abstract…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-06 Gen Xu , Huda Ibeid , Xin Jiang , Vjekoslav Svilan , Zhaojuan Bian

Heterogeneous scientific workflows consist of numerous types of tasks that require executing on heterogeneous resources. Asynchronous execution of those tasks is crucial to improve resource utilization, task throughput and reduce workflows'…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-28 Vincent R. Pascuzzi , Ozgur O. Kilic , Matteo Turilli , Shantenu Jha

In the past few years, the area of Machine Learning (ML) has witnessed tremendous advancements, becoming a pervasive technology in a wide range of applications. One area that can significantly benefit from the use of ML is Combinatorial…

Artificial Intelligence · Computer Science 2018-07-17 Michele Lombardi , Michela Milano

Reinforcement learning (RL) and model predictive control (MPC) offer a wealth of distinct approaches for automatic decision-making under uncertainty. Given the impact both fields have had independently across numerous domains, there is…

Systems and Control · Electrical Eng. & Systems 2025-10-13 Nathan P. Lawrence , Philip D. Loewen , Michael G. Forbes , R. Bhushan Gopaluni , Ali Mesbah

This research conducted a systematic review of the literature on machine learning (ML)-based methods in the context of Continuous Integration (CI) over the past 22 years. The study aimed to identify and describe the techniques used in…

Software Engineering · Computer Science 2023-07-18 Ali Kazemi Arani , Triet Huynh Minh Le , Mansooreh Zahedi , Muhammad Ali Babar

It has been a long time that computer architecture and systems are optimized for efficient execution of machine learning (ML) models. Now, it is time to reconsider the relationship between ML and systems, and let ML transform the way that…

Machine Learning · Computer Science 2022-02-25 Nan Wu , Yuan Xie

Machine Learning (ML) has been widely applied across numerous domains due to its ability to automatically identify informative patterns from data for various tasks. The availability of large-scale data and advanced computational power…

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