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Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…

Materials Science · Physics 2020-07-07 He Ma , Marco Govoni , Giulia Galli

Estimating physical properties of quantum states from measurements is one of the most fundamental tasks in quantum science. In this work, we identify conditions on states under which it is possible to infer the expectation values of all…

Quantum Physics · Physics 2024-05-01 Cambyse Rouzé , Daniel Stilck França

The paper describes an approach to measuring convergence of an algorithm to its result in terms of an entropy-like function of partitions of its inputs of a given length. The goal is to look at the algorithmic data processing from the…

Computational Complexity · Computer Science 2016-05-06 Anatol Slissenko

The paper investigates the problem of fitting protein complexes into electron density maps. They are represented by high-resolution cryoEM density maps converted into overlapping matrices and partly show a structure of a complex. The…

Optimization and Control · Mathematics 2017-01-10 Roman Pogodin , Alexander Katrutsa , Sergei Grudinin

We investigate how much information about a convex body can be retrieved from a finite number of its geometric moments. We give a sufficient condition for a convex body to be uniquely determined by a finite number of its geometric moments,…

Metric Geometry · Mathematics 2020-06-26 Astrid Kousholt , Julia Schulte

We suggest an iterative quantum protocol, allowing to solve optimization problems with a glassy energy landscape. It is based on a periodic cycling around the tricritical point of the many-body localization transition. This ensures that…

Quantum Physics · Physics 2022-09-21 Hanteng Wang , Hsiu-Chung Yeh , Alex Kamenev

In multi-objective optimization, computing the entire non-dominated set (also known as the Pareto front or the Pareto frontier) is often intractable. However, for any multiplicative factor greater than one, an approximation set can be…

Optimization and Control · Mathematics 2026-04-30 Levin Nemesch , Stefan Ruzika , Clemens Thielen , Alina Wittmann

Inferring a quantum system from incomplete information is a common problem in many aspects of quantum information science and applications, where the principle of maximum entropy (MaxEnt) plays an important role. The quantum state…

Quantum Physics · Physics 2022-07-26 Shi-Yao Hou , Zipeng Wu , Jinfeng Zeng , Ningping Cao , Chenfeng Cao , Youning Li , Bei Zeng

We present a polynomial time algorithm to approximately scale tensors of any format to arbitrary prescribed marginals (whenever possible). This unifies and generalizes a sequence of past works on matrix, operator and tensor scaling. Our…

Data Structures and Algorithms · Computer Science 2020-03-10 Peter Bürgisser , Cole Franks , Ankit Garg , Rafael Oliveira , Michael Walter , Avi Wigderson

This work presents a convex-optimization-based framework for analysis and control of nonlinear partial differential equations. The approach uses a particular weak embedding of the nonlinear PDE, resulting in a linear equation in the space…

Optimization and Control · Mathematics 2018-04-23 Milan Korda , Didier Henrion , Jean-Bernard Lasserre

Quantum machines are among the most promising technologies expected to provide significant improvements in the following years. However, bridging the gap between real-world applications and their implementation on quantum hardware is still…

Entanglement entropy, which is a measure of quantum correlations between separate parts of a many-body system, has emerged recently as a fundamental quantity in broad areas of theoretical physics, from cosmology and field theory to…

Quantum Physics · Physics 2009-03-09 Israel Klich , Leonid Levitov

Computationally intractable tasks are often encountered in physics and optimization. Such tasks often comprise a cost function to be optimized over a so-called feasible set, which is specified by a set of constraints. This may yield, in…

Quantum Physics · Physics 2023-04-25 Borja Requena , Gorka Muñoz-Gil , Maciej Lewenstein , Vedran Dunjko , Jordi Tura

We develop a short-step interior point method to optimize a linear function over a convex body assuming that one only knows a membership oracle for this body. The approach is based on Abernethy and Hazan's sketch of a universal interior…

Optimization and Control · Mathematics 2018-11-20 Riley Badenbroek , Etienne de Klerk

The generalized problem of moments is a conic linear optimization problem over the convex cone of positive Borel measures with given support. It has a large variety of applications, including global optimization of polynomials and rational…

Optimization and Control · Mathematics 2018-11-14 Etienne de Klerk , Monique Laurent

Symmetry is fundamental in the description and simulation of quantum systems. Leveraging symmetries in classical simulations of many-body quantum systems can results in significant overhead due to the exponentially growing size of some…

In this contribution we derive and analyze a new numerical method for kinetic equations based on a variable transformation of the moment approximation. Classical minimum-entropy moment closures are a class of reduced models for kinetic…

Numerical Analysis · Mathematics 2021-09-22 Tobias Leibner , Mario Ohlberger

Moment-closure methods are popular tools to simplify the mathematical analysis of stochastic models defined on networks, in which high dimensional joint distributions are approximated (often by some heuristic argument) as functions of lower…

Data Analysis, Statistics and Probability · Physics 2011-05-25 Tim Rogers

A new concept of the molecular structure optimization method based on quantum dynamics computations is presented. Nuclei are treated as quantum mechanical particles, as are electrons, and the many-body wave function of the system is…

We address the problem of sensing the curvature of a manifold by performing measurements on a particle constrained to the manifold itself. In particular, we consider situations where the dynamics of the particle is quantum mechanical and…

Quantum Physics · Physics 2019-10-02 Daniele Bonalda , Luigi Seveso , Matteo G. A. Paris