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Random matrix theory is used to represent generic loss of coherence of a fixed central system coupled to a quantum-chaotic environment, represented by a random matrix ensemble, via random interactions. We study the average density matrix…

Quantum Physics · Physics 2009-09-30 T. Gorin , C. Pineda , H. Kohler , T. H. Seligman

Machine learning techniques have found their way into computational chemistry as indispensable tools to accelerate atomistic simulations and materials design. In addition, machine learning approaches hold the potential to boost the…

Chemical Physics · Physics 2025-10-03 Johannes Voss

Classification can be performed using either a discriminative or a generative learning approach. Discriminative learning consists of constructing the conditional probability of the outputs given the inputs, while generative learning…

The field of Quantum Machine Learning (QML) has emerged recently in the hopes of finding new machine learning protocols or exponential speedups for classical ones. Apart from problems with vanishing gradients and efficient encoding methods,…

Machine Learning · Computer Science 2023-10-17 Hannah Helgesen , Michael Felsberg , Jan-Åke Larsson

In this paper, we describe a possible generalization of the Wasserstein 2-metric, originally defined on the space of scalar probability densities, to the space of Hermitian matrices with trace one, and to the space of matrix-valued…

Mathematical Physics · Physics 2016-10-11 Yongxin Chen , Tryphon T. Georgiou , Allen Tannenbaum

Density estimation, which estimates the distribution of data, is an important category of probabilistic machine learning. A family of density estimators is mixture models, such as Gaussian Mixture Model (GMM) by expectation maximization.…

Machine Learning · Statistics 2023-10-18 Benyamin Ghojogh , Milad Amir Toutounchian

Quantum algorithms are touted as a way around some classically intractable problems such as the simulation of quantum mechanics. At the end of all quantum algorithms is a quantum measurement whereby classical data is extracted and utilized.…

Quantum Physics · Physics 2021-03-26 Jun Yang , James Brown , James Daniel Whitfield

We provide an efficient method for computing the maximum likelihood mixed quantum state (with density matrix $\rho$) given a set of measurement outcome in a complete orthonormal operator basis subject to Gaussian noise. Our method works by…

Quantum Physics · Physics 2022-04-29 John A. Smolin , Jay M. Gambetta , Graeme Smith

We describe a variational approximation method for efficient inference in large-scale probabilistic models. Variational methods are deterministic procedures that provide approximations to marginal and conditional probabilities of interest.…

Artificial Intelligence · Computer Science 2011-05-30 T. S. Jaakkola , M. I. Jordan

Quantum state tomography is an essential component of modern quantum technology. In application to continuous-variable harmonic-oscilator systems, such as the electromagnetic field, existing tomography methods typically reconstruct the…

Quantum Physics · Physics 2023-01-09 Ekaterina Fedotova , Nikolai Kuznetsov , Egor Tiunov , A. E. Ulanov , A. I. Lvovsky

We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…

Chemical Physics · Physics 2015-08-26 Matthias Rupp , Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

Quantum machine learning (QML) is a rapidly growing field that combines quantum computing principles with traditional machine learning. It seeks to revolutionize machine learning by harnessing the unique capabilities of quantum mechanics…

Quantum Physics · Physics 2024-11-15 Jun Qi , Chao-Han Yang , Samuel Yen-Chi Chen , Pin-Yu Chen

Quantum computers promise improving machine learning. We investigated the performance of new quantum neural network designs. Quantum neural networks currently employed rely on a feature map to encode the input into a quantum state. This…

Quantum Physics · Physics 2022-03-16 Felix Petitzon

Quantum state tomography (QST) aiming at reconstructing the density matrix of a quantum state plays an important role in various emerging quantum technologies. Recognizing the challenges posed by imperfect measurement data, we develop a…

Quantum Physics · Physics 2025-03-31 Hailan Ma , Daoyi Dong , Ian R. Petersen , Chang-Jiang Huang , Guo-Yong Xiang

Recently, there has been a surge of interest in incorporating neural networks into particle filters, e.g. differentiable particle filters, to perform joint sequential state estimation and model learning for non-linear non-Gaussian…

Machine Learning · Computer Science 2025-01-07 Xiongjie Chen , Yunpeng Li

In the present paper we introduce new optimization algorithms for the task of density ratio estimation. More precisely, we consider extending the well-known KMM method using the construction of a suitable loss function, in order to…

Machine Learning · Computer Science 2023-09-15 Cristian Daniel Alecsa

We propose a quantum algorithm for the Lattice Boltzmann (LB) method to simulate fluid flows in the low Reynolds number regime. First, we encode the particle distribution functions (PDFs) as probability amplitudes of the quantum state and…

Quantum Physics · Physics 2025-02-20 E. Dinesh Kumar , Steven H. Frankel

Reconstruction of density matrices is important in NMR quantum computing. An analysis is made for a 2-qubit system by using the error matrix method. It is found that the state tomography method determines well the parameters that are…

Quantum Physics · Physics 2009-11-06 G. L. Long , H. Y. Yan , Yang Sun

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

Quantum Recurrent Neural Networks (QRNNs) are robust candidates for modelling and predicting future values in multivariate time series. However, the effective implementation of some QRNN models is limited by the need for mid-circuit…

Quantum Physics · Physics 2025-01-31 José Daniel Viqueira , Daniel Faílde , Mariamo M. Juane , Andrés Gómez , David Mera
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