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With near-term quantum devices available and the race for fault-tolerant quantum computers in full swing, researchers became interested in the question of what happens if we replace a supervised machine learning model with a quantum…

Quantum Physics · Physics 2021-04-20 Maria Schuld

Discovering the low-energy conformations of a molecule is of great interest to computational chemists, with applications in {\em in silico} materials design and drug discovery. In this paper, we propose a variable neighbourhood search…

Quantum Physics · Physics 2019-06-25 D. J. J. Marchand , M. Noori , A. Roberts , G. Rosenberg , B. Woods , U. Yildiz , M. Coons , D. Devore , P. Margl

Variational quantum machine learning is an extensively studied application of near-term quantum computers. The success of variational quantum learning models crucially depends on finding a suitable parametrization of the model that encodes…

Quantum annealers have been designed to propose near-optimal solutions to NP-hard optimization problems. However, the accuracy of current annealers such as the ones of D-Wave Systems, Inc., is limited by environmental noise and hardware…

Quantum Physics · Physics 2022-10-27 Aaron Barbosa , Elijah Pelofske , Georg Hahn , Hristo N. Djidjev

Gradient-based optimization is a key ingredient of variational quantum algorithms, with applications ranging from quantum machine learning to quantum chemistry and simulation. The parameter-shift rule provides a hardware-friendly method for…

Quantum Physics · Physics 2025-10-08 Leonardo Banchi , Dominic Branford , Chetan Waghela

Entanglement constitutes a key characteristic feature of quantum matter. Its detection, however, still faces major challenges. In this letter, we formulate a framework for probing entanglement based on machine learning techniques. The…

Quantum Physics · Physics 2021-08-18 Jun Yong Khoo , Markus Heyl

One fundamental problem when solving inverse problems is how to find regularization parameters. This article considers solving this problem using data-driven bilevel optimization, i.e. we consider the adaptive learning of the regularization…

Statistics Theory · Mathematics 2021-01-08 Neil K. Chada , Claudia Schillings , Xin T. Tong , Simon Weissmann

Computational studies of chemical reactions in complex environments such as proteins, nanostructures, or on surfaces require accurate and efficient atomistic models applicable to the nanometer scale. In general, an accurate parametrization…

Chemical Physics · Physics 2020-02-18 Christoph Brunken , Markus Reiher

The basic idea of quantum computing is surprisingly similar to that of kernel methods in machine learning, namely to efficiently perform computations in an intractably large Hilbert space. In this paper we explore some theoretical…

Quantum Physics · Physics 2019-02-06 Maria Schuld , Nathan Killoran

Characterization of quantum systems from experimental data is a central problem in quantum science and technology. But which measurements should be used to gather data in the first place? While optimal measurement choices can be worked out…

Quantum Physics · Physics 2025-07-15 Jiaxin Huang , Yan Zhu , Giulio Chiribella , Ya-Dong Wu

A new challenge for learning algorithms in cyber-physical network systems is the distributed solution of big-data classification problems, i.e., problems in which both the number of training samples and their dimension is high. Motivated by…

Optimization and Control · Mathematics 2017-02-16 Giuseppe Notarstefano

We learn parameterized nonlinear elasticity on curved surfaces using a physics-informed neural network that enforces governing equations and boundary conditions directly through the loss function, enabling a single trained model to…

Biological Physics · Physics 2026-04-15 Yankang Liu , Ke Zhang , Maziar Raissi , Roya Zandi

Feedback-based quantum algorithms (FQAs) operate by iteratively growing a quantum circuit to optimize a given task. At each step, feedback from qubit measurements is used to inform the next quantum circuit update. In practice, the sampling…

Quantum Physics · Physics 2026-01-14 Vicente Peña Pérez , Matthew D. Grace , Christian Arenz , Alicia B. Magann

Transcription factors regulate gene expression, but how these proteins recognize and specifically bind to their DNA targets is still debated. Machine learning models are effective means to reveal interaction mechanisms. Here we studied the…

Quantum Physics · Physics 2018-03-02 Richard Y. Li , Rosa Di Felice , Remo Rohs , Daniel A. Lidar

Quantum kernels quantify similarity between data points by measuring the inner product between quantum states, computed through quantum circuit measurements. By embedding data into quantum systems, quantum kernel feature maps, that may be…

Quantum Physics · Physics 2025-03-24 Joachim Tomasi , Sandrine Anthoine , Hachem Kadri

We present hierarchical learning, a novel variational architecture for efficient training of large-scale variational quantum circuits. We test and benchmark our technique for distribution loading with quantum circuit born machines (QCBMs).…

Quantum Physics · Physics 2023-11-23 Hrant Gharibyan , Vincent Su , Hayk Tepanyan

We present a Machine Learning approach to solve electronic quantum transport equations of one-dimensional nanostructures. The transmission coefficients of disordered systems were computed to provide training and test datasets to the…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Alejandro Lopez-Bezanilla , O. Anatole von Lilienfeld

We propose a generative quantum learning algorithm, R\'enyi-ADAPT, using the Adaptive Derivative-Assembled Problem Tailored ansatz (ADAPT) framework in which the loss function to be minimized is the maximal quantum R\'enyi divergence of…

Quantum Physics · Physics 2025-01-30 Kyle Sherbert , Jim Furches , Karunya Shirali , Sophia E. Economou , Carlos Ortiz Marrero

This paper proposes a brain-inspired approach to quantum machine learning with the goal of circumventing many of the complications of other approaches. The fact that quantum processes are unitary presents both opportunities and challenges.…

Machine Learning · Computer Science 2019-05-16 Bruce MacLennan

Quantum process characterization is a fundamental task in quantum information processing, yet conventional methods, such as quantum process tomography, require prohibitive resources and lack scalability. Here, we introduce an efficient…

Quantum Physics · Physics 2025-04-11 Yusen Wu , Yukun Zhang , Chuan Wang , Xiao Yuan
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