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Machine learning enables the extraction of useful information from large, diverse datasets. However, despite many successful applications, machine learning continues to suffer from performance and transparency issues. These challenges can…

Machine Learning · Computer Science 2025-07-08 V. C. Storey , J. Parsons , A. Castellanos , M. Tremblay , R. Lukyanenko , W. Maass , A. Castillo

Complex optimal design and control processes often require repeated evaluations of expensive objective functions and consist of large design spaces. Data-driven surrogates such as neural networks and Gaussian processes provide an attractive…

Computational Engineering, Finance, and Science · Computer Science 2023-07-10 Manaswin Oddiraju , Divyang Amin , Michael Piedmonte , Souma Chowdhury

This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…

Chemical Physics · Physics 2025-04-01 Cheng Fan , Maodong Li , Sihao Yuan , Zhaoxin Xie , Dechin Chen , Yi Isaac Yang , Yi Qin Gao

This thesis demonstrate the efficacy of designing and developing machine learning (ML) algorithms to selected use cases that encompass many of the outstanding challenges in the field of experimental high energy physics. Although simple…

High Energy Physics - Experiment · Physics 2019-03-14 Michela Paganini

Training machine learning (ML) algorithms is a computationally intensive process, which is frequently memory-bound due to repeatedly accessing large training datasets. As a result, processor-centric systems (e.g., CPU, GPU) suffer from…

Hardware Architecture · Computer Science 2023-09-07 Juan Gómez-Luna , Yuxin Guo , Sylvan Brocard , Julien Legriel , Remy Cimadomo , Geraldo F. Oliveira , Gagandeep Singh , Onur Mutlu

Cities today generate enormous streams of data from sensors, cameras, and connected infrastructure. While this information offers unprecedented opportunities to improve urban life, most existing systems struggle with scale, latency, and…

Artificial Intelligence · Computer Science 2025-09-03 Kishor Datta Gupta , Md Manjurul Ahsan , Mohd Ariful Haque , Roy George , Azmine Toushik Wasi

The demand for a huge amount of data for machine learning (ML) applications is currently a bottleneck in an empirically dominated field. We propose a method to combine prior knowledge with data-driven methods to significantly reduce their…

Machine Learning · Computer Science 2023-03-06 Xia Chen , Manav Mahan Singh , Philipp Geyer

As the modern electrical grid shifts towards distributed systems, there is an increasing need for rapid decision-making tools. Artificial Intelligence (AI) and Machine Learning (ML) technologies are now pivotal in enhancing the efficiency…

Systems and Control · Electrical Eng. & Systems 2024-08-27 Meiyi Li , Javad Mohammadi

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 examine the computational energy requirements of different systems driven by the geometrical scaling law, and increasing use of Artificial Intelligence or Machine Learning (AI-ML) over the last decade. With more scientific and technology…

Hardware Architecture · Computer Science 2022-11-30 Sadasivan Shankar , Albert Reuther

Reliable, high-intensity operation of the Fermilab Accelerator Complex is critical to the success of the Long-Baseline Neutrino Facility and Deep Underground Neutrino Experiment. We describe the requirements and infrastructure necessary to…

We present a computationally tractable framework for real-time predictive control of multi-chiller plants that involve both discrete and continuous control decisions coupled through nonlinear dynamics, resulting in a mixed-integer optimal…

Systems and Control · Electrical Eng. & Systems 2026-03-31 Ján Boldocký , Cary Faulkner , Elad Michael , Martin Gulan , Aaron Tuor , Ján Drgoňa

Integration of machine learning (ML) into the topology optimization (TO) framework is attracting increasing attention, but data acquisition in data-driven models is prohibitive. Compared with popular ML methods, the physics-informed neural…

Machine Learning · Computer Science 2023-12-13 Jichao Yin , Ziming Wen , Shuhao Li , Yaya Zhanga , Hu Wang

Scientific machine learning (SciML) increasingly requires models that capture multimodal conditional uncertainty arising from ill-posed inverse problems, multistability, and chaotic dynamics. While recent work has favored highly expressive…

Machine Learning · Computer Science 2026-02-03 Leonardo Ferreira Guilhoto , Akshat Kaushal , Paris Perdikaris

The use of machine learning (ML) techniques to solve complex physical problems has been considered recently as a promising approach. However, the evaluation of such learned physical models remains an important issue for industrial use. The…

Emerging technologies like hypersonic aircraft, space exploration vehicles, and batteries avail fluid circulation in embedded microvasculatures for efficient thermal regulation. Modeling is vital during these engineered systems' design and…

Numerical Analysis · Mathematics 2023-05-16 N. V. Jagtap , M. K. Mudunuru , K. B. Nakshatrala

Terrestrial carbon fluxes provide vital information about our biosphere's health and its capacity to absorb anthropogenic CO$_2$ emissions. The importance of predicting carbon fluxes has led to the emerging field of data-driven carbon flux…

Machine Learning · Computer Science 2025-03-25 Matthew Fortier , Mats L. Richter , Oliver Sonnentag , Chris Pal

Hybrid modeling combining data-driven techniques and numerical methods is an emerging and promising research direction for efficient climate simulation. However, previous works lack practical platforms, making developing hybrid modeling a…

Atmospheric and Oceanic Physics · Physics 2022-09-20 Xin Wang , Wei Xue , Yilun Han , Guangwen Yang

Scientific Machine Learning (SciML) has advanced recently across many different areas in computational science and engineering. The objective is to integrate data and physics seamlessly without the need of employing elaborate and…

Machine Learning · Computer Science 2023-08-02 Varun Kumar , Leonard Gleyzer , Adar Kahana , Khemraj Shukla , George Em Karniadakis

Scientific machine learning (SciML) models are transforming many scientific disciplines. However, the development of good modeling practices to increase the trustworthiness of SciML has lagged behind its application, limiting its potential…

Machine Learning · Computer Science 2025-04-29 John D. Jakeman , Lorena A. Barba , Joaquim R. R. A. Martins , Thomas O'Leary-Roseberry
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