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We present an efficient machine learning (ML) algorithm for predicting any unknown quantum process $\mathcal{E}$ over $n$ qubits. For a wide range of distributions $\mathcal{D}$ on arbitrary $n$-qubit states, we show that this ML algorithm…

Quantum Physics · Physics 2023-04-18 Hsin-Yuan Huang , Sitan Chen , John Preskill

Most modern supervised statistical/machine learning (ML) methods are explicitly designed to solve prediction problems very well. Achieving this goal does not imply that these methods automatically deliver good estimators of causal…

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…

Materials Science · Physics 2020-11-02 Bijun Tang , Yuhao Lu , Jiadong Zhou , Han Wang , Prafful Golani , Manzhang Xu , Quan Xu , Cuntai Guan , Zheng Liu

This paper proposes a machine learning (ML) method to predict stable molecular geometries from their chemical composition. The method is useful for generating molecular conformations which may serve as initial geometries for saving time…

Unit commitment (UC) are essential tools to transmission system operators for finding the most economical and feasible generation schedules and dispatch signals. Constraint screening has been receiving attention as it holds the promise for…

Optimization and Control · Mathematics 2022-12-02 Xuan He , Honglin Wen , Yufan Zhang , Yize Chen

Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or be…

Machine-learning (ML) ans\"atze have greatly expanded the accuracy and reach of variational quantum Monte Carlo (QMC) calculations, in particular when exploring the manifold quantum phenomena exhibited by spin systems. However, the…

Quantum Physics · Physics 2025-11-24 Manuel Gallego , Sebastián Roca-Jerat , David Zueco , Jesús Carrete

We propose the Limited Multi-Label (LML) projection layer as a new primitive operation for end-to-end learning systems. The LML layer provides a probabilistic way of modeling multi-label predictions limited to having exactly k labels. We…

Machine Learning · Computer Science 2019-10-15 Brandon Amos , Vladlen Koltun , J. Zico Kolter

We compute the flavorless running coupling constant of QCD from the three gluon vertex in the (regularisation independent) momentum subtraction renormalisation scheme. This is performed on the lattice with high statistics. The expected…

High Energy Physics - Phenomenology · Physics 2010-03-19 Ph. Boucaud , J. P. Leroy , J. Micheli , O. Pène , C. Roiesnel

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…

Monte Carlo simulations applied to the lattice formulation of quantum chromodynamics (QCD) enable a study of the theory from first principles, in a nonperturbative way. After over two decades of developments in the methodology for this…

High Energy Physics - Lattice · Physics 2007-05-23 Tereza Mendes

A framework defining benchmarks for the analysis of polarized exclusive scattering cross sections is proposed that uses physics symmetry constraints as well as lattice QCD predictions. These constraints are built into machine learning (ML)…

High Energy Physics - Phenomenology · Physics 2024-06-14 Simonetta Liuti

Quantum computing (QC) and machine learning (ML), taken individually or combined into quantum-assisted ML (QML), are ascending computing paradigms whose calculations come with huge potential for speedup, increase in precision, and resource…

The rapid advancements in quantum computing (QC) and machine learning (ML) have sparked significant interest, driving extensive exploration of quantum machine learning (QML) algorithms to address a wide range of complex challenges. The…

Quantum Physics · Physics 2025-05-27 Samuel Yen-Chi Chen , Huan-Hsin Tseng , Hsin-Yi Lin , Shinjae Yoo

Quantum Machine Learning (QML) models of molecular HOMO-LUMO-gaps often struggle to achieve satisfying data-efficiency as measured by decreasing prediction errors for increasing training set sizes. Partitioning training sets of organic…

Chemical Physics · Physics 2021-10-07 Bernard Mazouin , Alexandre Alain Schöpfer , O. Anatole von Lilienfeld

Machine learning (ML) entered the field of computational micromagnetics only recently. The main objective of these new approaches is the automatization of solutions of parameter-dependent problems in micromagnetism such as fast response…

Computational Physics · Physics 2021-07-15 Sebastian Schaffer , Norbert J. Mauser , Thomas Schrefl , Dieter Suess , Lukas Exl

Quantum Machine Learning (QML) is an exciting tool that has received significant recent attention due in part to advances in quantum computing hardware. While there is currently no formal guarantee that QML is superior to classical ML for…

High Energy Physics - Phenomenology · Physics 2023-03-22 Sulaiman Alvi , Christian Bauer , Benjamin Nachman

Variational quantum circuits have become a widely used tool for performing quantum machine learning (QML) tasks on labeled quantum states. In some specific tasks or for specific variational ans\"atze, one may perform measurements on a…

Quantum Physics · Physics 2026-01-14 Andrey Kardashin , Konstantin Antipin

Predicting the Curie temperature ($T_\mathrm{C}$) of magnetic materials is crucial for advancing applications in data storage, spintronics, and sensors. We present a machine learning (ML) framework to predict $T_{\mathrm{C}}$ using a…

Materials Science · Physics 2025-09-23 Akram Abedi Orang , Mojtaba Alaei , Artem R. Oganov

The popularity of Machine Learning (ML) has been increasing in the last decades in almost every area, being the commercial and scientific fields the most notorious ones. Concerning particle physics, ML has been proved as a useful resource…

High Energy Physics - Experiment · Physics 2021-12-17 Xabier Cid Vidal , Lorena Dieste Maroñas , Álvaro Dósil Suárez
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