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In many spatial and spatial-temporal models, and more generally in models with complex dependencies, it may be too difficult to carry out full maximum likelihood (ML) analysis. Remedies include the use of pseudo-likelihood (PL) and…

Methodology · Statistics 2026-04-24 Nils Lid Hjort , Cristiano Varin

Quantum state tomography is an integral part of quantum computation and offers the starting point for the validation of various quantum devices. One of the central tasks in the field of state tomography is to reconstruct with high fidelity,…

Quantum Physics · Physics 2022-12-21 Rishabh Gupta , Manas Sajjan , Raphael D. Levine , Sabre Kais

This paper proposes a novel exact maximum likelihood (ML) estimation method for general Gaussian processes, where all parameters are estimated jointly. The exact ML estimator (MLE) is consistent and asymptotically normally distributed. We…

Statistics Theory · Mathematics 2025-09-08 Tetsuya Takabatake , Jun Yu , Chen Zhang

We present a direct approach to nonparametrically reconstruct the linear density field from an observed nonlinear map. We solve for the unique displacement potential consistent with the nonlinear density and positive definite coordinate…

Cosmology and Nongalactic Astrophysics · Physics 2017-12-25 Hong-Ming Zhu , Yu Yu , Ue-Li Pen , Xuelei Chen , Hao-Ran Yu

In this paper, we will discuss how to generalize nonparametric density estimators to MLE parametric estimators. Basing on the Parzen window theory and using the advantages of probability amplitude of quantum theory, we model a nonlinear…

Statistics Theory · Mathematics 2008-11-13 Yeong-Shyeong Tsai

Mixture distributions with dynamic weights are an efficient way of modeling loss data characterized by heavy tails. However, maximum likelihood estimation of this family of models is difficult, mostly because of the need to evaluate…

Methodology · Statistics 2023-04-11 Marco Bee

General log-linear models specified by non-negative integer design matrices have a potentially wide range of applications, although using models without the genuine overall effect, that is, ones which cannot be reparameterized to include a…

Methodology · Statistics 2023-01-02 Anna Klimova , Matthias Kuhn

Interatomic potential models based on machine learning (ML) are rapidly developing as tools for materials simulations. However, because of their flexibility, they require large fitting databases that are normally created with substantial…

Materials Science · Physics 2019-11-19 Noam Bernstein , Gábor Csányi , Volker L. Deringer

The expectation-maximization (EM) algorithm is a powerful computational technique for finding the maximum likelihood estimates for parametric models when the data are not fully observed. The EM is best suited for situations where the…

Computation · Statistics 2018-05-14 Chanseok Park

In this paper we address the problem of optimal reconstruction of a quantum state from the result of a single measurement when the original quantum state is known to be a member of some specified set. A suitable figure of merit for this…

Quantum Physics · Physics 2007-05-23 Kieran Hunter , Erika Andersson , Claire R. Gilson , Stephen M. Barnett

We introduce an architecture for neural quantum states for many-body quantum-mechanical systems, based on normalizing flows. The use of normalizing flows enables efficient uncorrelated sampling of configurations from the probability…

Quantum Physics · Physics 2024-06-05 Scott Lawrence , Arlee Shelby , Yukari Yamauchi

We consider a one-dimensional recurrent random walk in random environment (RWRE) when the environment is i.i.d. with a parametric, finitely supported distribution. Based on a single observation of the path, we provide a maximum likelihood…

Probability · Mathematics 2014-04-10 Francis Comets , Mikael Falconnet , Oleg Loukianov , Dasha Loukianova

This paper concerns a class of composite image reconstruction models for impluse noise removal, which is rather general and covers existing convex and nonconvex models proposed for reconstructing images with impluse noise. For this…

Optimization and Control · Mathematics 2024-03-27 Bujin Li , Shaohua Pan , Tieyong Zeng

Quantum machine learning (QML) seeks to exploit the intrinsic properties of quantum mechanical systems, including superposition, coherence, and quantum entanglement for classical data processing. However, due to the exponential growth of…

Quantum Physics · Physics 2025-10-09 Timothy Heightman , Edward Jiang , Ruth Mora-Soto , Maciej Lewenstein , Marcin Płodzień

Using a new Bayesian method for solving inverse quantum problems, potentials of quantum systems are reconstructed from coordinate measurements in non-stationary states. The approach is based on two basic inputs: 1. a likelihood model,…

Quantum Physics · Physics 2007-05-23 J. C. Lemm

We develop a combined machine learning (ML) and quantum mechanics approach that enables data-efficient reconstruction of flexible molecular force fields from high-level ab initio calculations, through the consideration of fundamental…

Computational Physics · Physics 2021-04-14 Stefan Chmiela , Huziel E. Sauceda , Alexandre Tkatchenko , Klaus-Robert Müller

A machine-learning-based framework for constructing generator-level observables optimized for parameter extraction in particle physics analyses is introduced, referred to as the Optimal Observable Machine (OOM). Unfoldable differential…

A model for quantum tunnelling of a cluster comprising A identical particles, coupled by oscillator-type potential, through short-range repulsive potential barriers is introduced for the first time in the new symmetrized-coordinate…

Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…

Chemical Physics · Physics 2026-02-24 Valerii Andreichev , Jindra Dušek , Markus Meuwly , Jeremy O. Richardson

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi
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