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Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces. As a result, these…

Materials Science · Physics 2024-05-15 Bartosz Barzdajn , Christopher P. Race

After many years of development of the basic tools, quantum simulation with ultracold atoms has now reached the level of maturity where it can be used to investigate complex quantum processes. Planning of new experiments and upgrading…

Quantum Gases · Physics 2020-07-13 Florian Schäfer , Takeshi Fukuhara , Seiji Sugawa , Yosuke Takasu , Yoshiro Takahashi

High-throughput approximations of quantum mechanics calculations and combinatorial experiments have been traditionally used to reduce the search space of possible molecules, drugs and materials. However, the interplay of structural and…

Quantum Physics · Physics 2019-10-29 Alain Tchagang , Julio Valdés

Machine learning (ML) models deployed in many safety- and business-critical systems are vulnerable to exploitation through adversarial examples. A large body of academic research has thoroughly explored the causes of these blind spots,…

Cryptography and Security · Computer Science 2020-07-15 Ivan Evtimov , Weidong Cui , Ece Kamar , Emre Kiciman , Tadayoshi Kohno , Jerry Li

Machine learning (ML) is shown to predict new alloys and their performances in a high dimensional, multiple-target-property design space that considers chemistry, multi-step processing routes, and characterization methodology variations. A…

Materials Science · Physics 2020-10-12 Sen Liu , Branden B. Kappes , Behnam Amin-ahmadi , Othmane Benafan , Xiaoli Zhang , Aaron P. Stebner

Experimental multi-parameter optimization can enhance the interfacing of cold atoms with waveguides and cavities. Recent implementations of machine learning (ML) algorithms demonstrate the optimization of complex cold atom ex perimental…

Atomic Physics · Physics 2025-07-16 Paul Anderson , Sreesh Venuturumilli , Michal Bajcsy

Several proposals have been recently introduced to implement Quantum Machine Learning (QML) algorithms for the analysis of classical data sets employing variational learning means. There has been, however, a limited amount of work on the…

Quantum Physics · Physics 2022-10-04 Francesco Scala , Stefano Mangini , Chiara Macchiavello , Daniele Bajoni , Dario Gerace

Scalable quantum technologies will present challenges for characterizing and tuning quantum devices. This is a time-consuming activity, and as the size of quantum systems increases, this task will become intractable without the aid of…

Identifying optimal thermodynamical processes has been the essence of thermodynamics since its inception. Here, we show that differentiable programming (DP), a machine learning (ML) tool, can be employed to optimize finite-time…

Quantum Physics · Physics 2022-03-24 Ilia Khait , Juan Carrasquilla , Dvira Segal

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

Quantum Machine Learning (QML) is considered to be one of the most promising applications of near term quantum devices. However, the optimization of quantum machine learning models presents numerous challenges arising from the imperfections…

Machine Learning · Computer Science 2022-05-17 Owen Lockwood

Machine learning (ML) based interatomic potentials are emerging tools for materials simulations but require a trade-off between accuracy and speed. Here we show how one can use one ML potential model to train another: we use an existing,…

Materials Science · Physics 2022-09-20 Joe D. Morrow , Volker L. Deringer

Machine learning (ML) has been leveraged to tackle a diverse range of tasks in almost all branches of nuclear engineering. Many of the successes in ML applications can be attributed to the recent performance breakthroughs in deep learning,…

Systems and Control · Electrical Eng. & Systems 2025-03-25 Xu Wu , Lesego E. Moloko , Pavel M. Bokov , Gregory K. Delipei , Joshua Kaizer , Kostadin N. Ivanov

Machine learning is finding increasingly broad application in the physical sciences. This most often involves building a model relationship between a dependent, measurable output and an associated set of controllable, but complicated,…

Computational Physics · Physics 2018-08-29 Brian K. Spears

Big data and machine learning are driving comprehensive economic and social transformations and are rapidly re-shaping the toolbox and the methodologies of applied scientists. Machine learning tools are designed to learn functions from data…

Fluid Dynamics · Physics 2024-04-16 M. A. Mendez , J. Dominique , M. Fiore , F. Pino , P. Sperotto , J. Van den Berghe

Quantum Machine Learning (QML) algorithms to solve classifications problems have been made available thanks to recent advancements in quantum computation. While the number of qubits are still relatively small, they have been used for…

Quantum Physics · Physics 2020-12-08 Paul-Aymeric McRae , Michael Hilke

The application of Machine Learning (ML) to hydrologic modeling is fledgling. Its applicability to capture the dependencies on watersheds to forecast better within a short period is fascinating. One of the key reasons to adopt ML algorithms…

Machine Learning · Computer Science 2025-10-14 Supath Dhital

With fault-tolerant quantum computing on the horizon, there is growing interest in applying quantum computational methods to data-intensive scientific fields like remote sensing. Quantum machine learning (QML) has already demonstrated…

Quantum Physics · Physics 2026-02-24 Tomasz Rybotycki , Sebastian Dziura , Piotr Gawron

In the last couple of years we have witnessed an enormous increase of machine learning (ML) applications. More and more program functions are no longer written in code, but learnt from a huge amount of data samples using an ML algorithm.…

Software Engineering · Computer Science 2022-09-07 Peter Kriens , Tim Verbelen

Machine learning (ML) is the field of training machines to achieve high level of cognition and perform human-like analysis. Since ML is a data-driven approach, it seemingly fits into our daily lives and operations as well as complex and…

Machine Learning · Computer Science 2021-11-25 M. Z. Naser , Amir Alavi