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Here we will give a perspective on new possible interplays between Machine Learning and Quantum Physics, including also practical cases and applications. We will explore the ways in which machine learning could benefit from new quantum…

Quantum Physics · Physics 2021-08-24 Lorenzo Buffoni , Filippo Caruso

Machine learning and specifically deep-learning methods have outperformed human capabilities in many pattern recognition and data processing problems, in game playing, and now also play an increasingly important role in scientific…

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

Microelectronic design verification remains a critical bottleneck in device development, traditionally mitigated by expanding verification teams and computational resources. Since the late 1990s, machine learning (ML) has been proposed to…

Hardware Architecture · Computer Science 2025-03-18 Christopher Bennett , Kerstin Eder

Electronic structure methods offer in principle accurate predictions of molecular properties, however, their applicability is limited by computational costs. Empirical methods are cheaper, but come with inherent approximations and are…

Chemical Physics · Physics 2023-11-16 Moritz Thürlemann , Sereina Riniker

Advances in machine learning (ML) open the way to innovating functions in the avionic domain, such as navigation/surveillance assistance (e.g. vision-based navigation, obstacle sensing, virtual sensing), speechto-text applications,…

Artificial Intelligence · Computer Science 2021-08-02 Guillaume Vidot , Christophe Gabreau , Ileana Ober , Iulian Ober

Machine learning (ML) has emerged as a pervasive tool in science, engineering, and beyond. Its success has also led to several synergies with molecular dynamics (MD) simulations, which we use to identify and characterize the major…

Biomolecules · Quantitative Biology 2022-05-09 Christopher Kolloff , Simon Olsson

Recent advancements in quantum computing have positioned it as a prospective solution for tackling intricate computational challenges, with supervised learning emerging as a promising domain for its application. Despite this potential, the…

Machine Learning · Computer Science 2024-07-25 Antonio Macaluso

We review methods that allow one to detect and characterise quantum correlations in many-body systems, with a special focus on approaches which are scalable. Namely, those applicable to systems with many degrees of freedom, without…

Quantum Physics · Physics 2023-09-28 Irénée Frérot , Matteo Fadel , Maciej Lewenstein

A continuous-time path integral Quantum Monte Carlo method using the directed-loop algorithm is developed to simulate the Anderson single-impurity model in the occupation number basis. Although the method suffers from a sign problem at low…

Strongly Correlated Electrons · Physics 2009-11-10 Jaebeom Yoo , Shailesh Chandrasekharan , Harold U. Baranger

Electronically excited states of molecules are at the heart of photochemistry, photophysics, as well as photobiology and also play a role in material science. Their theoretical description requires highly accurate quantum chemical…

Chemical Physics · Physics 2021-03-15 Julia Westermayr , Philipp Marquetand

The application of state-of-the-art machine learning techniques to statistical physic problems has seen a surge of interest for their ability to discriminate phases of matter by extracting essential features in the many-body wavefunction or…

Strongly Correlated Electrons · Physics 2017-07-04 Peter Broecker , Fakher F. Assaad , Simon Trebst

Tailoring the performance of next-generation high entropy materials requires a deep understanding of the competition between entropy-driven random solid solution and enthalpy-driven chemical ordering. Investigating such order and disorder…

Materials Science · Physics 2026-03-24 Fanli Zhou , Hao Chen , Pengxiang Xu , Kai Yang , Zongrui Pei , Xianglin Liu

The key to success in machine learning (ML) is the use of effective data representations. Traditionally, data representations were hand-crafted. Recently it has been demonstrated that, given sufficient data, deep neural networks can learn…

Machine Learning · Computer Science 2018-11-09 Ivan Olier , Oghenejokpeme I. Orhobor , Joaquin Vanschoren , Ross D. King

Practical Quantum Machine Learning (QML) is challenged by noise, limited scalability, and poor trainability in Variational Quantum Circuits (VQCs) on current hardware. We propose a multi-chip ensemble VQC framework that systematically…

Machine Learning · Computer Science 2025-05-21 Junghoon Justin Park , Jiook Cha , Samuel Yen-Chi Chen , Huan-Hsin Tseng , Shinjae Yoo

This survey explores the integration of machine learning (ML) into EDA workflows for analog and RF circuits, addressing challenges unique to analog design, which include complex constraints, nonlinear design spaces, and high computational…

Hardware Architecture · Computer Science 2025-06-03 Zhengfeng Wu , Ziyi Chen , Nnaemeka Achebe , Vaibhav V. Rao , Pratik Shrestha , Ioannis Savidis

Machine learning (ML) is a subfield of artificial intelligence. The term applies broadly to a collection of computational algorithms and techniques that train systems from raw data rather than a priori models. ML techniques are now…

Accurate and reliable diagnosis of diseases is crucial in enabling timely medical treatment and enhancing patient survival rates. In recent years, Machine Learning has revolutionized diagnostic practices by creating classification models…

Machine Learning · Computer Science 2025-12-02 Antonio Tudisco , Deborah Volpe , Giovanna Turvani

The use of geometric and symmetry techniques in quantum and classical information processing has a long tradition across the physical sciences as a means of theoretical discovery and applied problem solving. In the modern era, the emergent…

Quantum Physics · Physics 2024-09-10 Elija Perrier

Quantum computing for the biological sciences is an area of rapidly growing interest, but specific industrial applications remain elusive. Quantum Markov chain Monte Carlo has been proposed as a method for accelerating a broad class of…

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