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Author: Venera Khoromskaia Publisher: Walter de Gruyter GmbH & Co KG ISBN: 3110391376 Category : Mathematics Languages : en Pages : 343
Book Description
The conventional numerical methods when applied to multidimensional problems suffer from the so-called "curse of dimensionality", that cannot be eliminated by using parallel architectures and high performance computing. The novel tensor numerical methods are based on a "smart" rank-structured tensor representation of the multivariate functions and operators discretized on Cartesian grids thus reducing solution of the multidimensional integral-differential equations to 1D calculations. We explain basic tensor formats and algorithms and show how the orthogonal Tucker tensor decomposition originating from chemometrics made a revolution in numerical analysis, relying on rigorous results from approximation theory. Benefits of tensor approach are demonstrated in ab-initio electronic structure calculations. Computation of the 3D convolution integrals for functions with multiple singularities is replaced by a sequence of 1D operations, thus enabling accurate MATLAB calculations on a laptop using 3D uniform tensor grids of the size up to 1015. Fast tensor-based Hartree-Fock solver, incorporating the grid-based low-rank factorization of the two-electron integrals, serves as a prerequisite for economical calculation of the excitation energies of molecules. Tensor approach suggests efficient grid-based numerical treatment of the long-range electrostatic potentials on large 3D finite lattices with defects.The novel range-separated tensor format applies to interaction potentials of multi-particle systems of general type opening the new prospects for tensor methods in scientific computing. This research monograph presenting the modern tensor techniques applied to problems in quantum chemistry may be interesting for a wide audience of students and scientists working in computational chemistry, material science and scientific computing.
Author: Venera Khoromskaia Publisher: Walter de Gruyter GmbH & Co KG ISBN: 3110391376 Category : Mathematics Languages : en Pages : 343
Book Description
The conventional numerical methods when applied to multidimensional problems suffer from the so-called "curse of dimensionality", that cannot be eliminated by using parallel architectures and high performance computing. The novel tensor numerical methods are based on a "smart" rank-structured tensor representation of the multivariate functions and operators discretized on Cartesian grids thus reducing solution of the multidimensional integral-differential equations to 1D calculations. We explain basic tensor formats and algorithms and show how the orthogonal Tucker tensor decomposition originating from chemometrics made a revolution in numerical analysis, relying on rigorous results from approximation theory. Benefits of tensor approach are demonstrated in ab-initio electronic structure calculations. Computation of the 3D convolution integrals for functions with multiple singularities is replaced by a sequence of 1D operations, thus enabling accurate MATLAB calculations on a laptop using 3D uniform tensor grids of the size up to 1015. Fast tensor-based Hartree-Fock solver, incorporating the grid-based low-rank factorization of the two-electron integrals, serves as a prerequisite for economical calculation of the excitation energies of molecules. Tensor approach suggests efficient grid-based numerical treatment of the long-range electrostatic potentials on large 3D finite lattices with defects.The novel range-separated tensor format applies to interaction potentials of multi-particle systems of general type opening the new prospects for tensor methods in scientific computing. This research monograph presenting the modern tensor techniques applied to problems in quantum chemistry may be interesting for a wide audience of students and scientists working in computational chemistry, material science and scientific computing.
Author: Wolfgang Hackbusch Publisher: Springer Nature ISBN: 3030355543 Category : Mathematics Languages : en Pages : 605
Book Description
Special numerical techniques are already needed to deal with n × n matrices for large n. Tensor data are of size n × n ×...× n=nd, where nd exceeds the computer memory by far. They appear for problems of high spatial dimensions. Since standard methods fail, a particular tensor calculus is needed to treat such problems. This monograph describes the methods by which tensors can be practically treated and shows how numerical operations can be performed. Applications include problems from quantum chemistry, approximation of multivariate functions, solution of partial differential equations, for example with stochastic coefficients, and more. In addition to containing corrections of the unavoidable misprints, this revised second edition includes new parts ranging from single additional statements to new subchapters. The book is mainly addressed to numerical mathematicians and researchers working with high-dimensional data. It also touches problems related to Geometric Algebra.
Author: Wolfgang Hackbusch Publisher: Springer Science & Business Media ISBN: 3642280277 Category : Mathematics Languages : en Pages : 525
Book Description
Special numerical techniques are already needed to deal with nxn matrices for large n.Tensor data are of size nxnx...xn=n^d, where n^d exceeds the computer memory by far. They appear for problems of high spatial dimensions. Since standard methods fail, a particular tensor calculus is needed to treat such problems. The monograph describes the methods how tensors can be practically treated and how numerical operations can be performed. Applications are problems from quantum chemistry, approximation of multivariate functions, solution of pde, e.g., with stochastic coefficients, etc.
Author: Simone Montangero Publisher: Springer ISBN: 3030014096 Category : Science Languages : en Pages : 172
Book Description
This volume of lecture notes briefly introduces the basic concepts needed in any computational physics course: software and hardware, programming skills, linear algebra, and differential calculus. It then presents more advanced numerical methods to tackle the quantum many-body problem: it reviews the numerical renormalization group and then focuses on tensor network methods, from basic concepts to gauge invariant ones. Finally, in the last part, the author presents some applications of tensor network methods to equilibrium and out-of-equilibrium correlated quantum matter. The book can be used for a graduate computational physics course. After successfully completing such a course, a student should be able to write a tensor network program and can begin to explore the physics of many-body quantum systems. The book can also serve as a reference for researchers working or starting out in the field.
Author: Ivan Oseledets Publisher: de Gruyter ISBN: 9783110461626 Category : Mathematics Languages : en Pages : 216
Book Description
Covering both theoretical foundations and applications in mathematics and engineering, this graduate textbook introduces numerical, tensor-based methods for tackling high-dimensional problems. Concepts known as tensor trains, matrix product states or hierarchical tensor networks have a range of applications in solving differential equations, multidimensional integration, machine learning, condensed matter physics, and theoretical chemistry.
Author: Boris N. Khoromskij Publisher: Walter de Gruyter GmbH & Co KG ISBN: 311036591X Category : Mathematics Languages : en Pages : 382
Book Description
The most difficult computational problems nowadays are those of higher dimensions. This research monograph offers an introduction to tensor numerical methods designed for the solution of the multidimensional problems in scientific computing. These methods are based on the rank-structured approximation of multivariate functions and operators by using the appropriate tensor formats. The old and new rank-structured tensor formats are investigated. We discuss in detail the novel quantized tensor approximation method (QTT) which provides function-operator calculus in higher dimensions in logarithmic complexity rendering super-fast convolution, FFT and wavelet transforms. This book suggests the constructive recipes and computational schemes for a number of real life problems described by the multidimensional partial differential equations. We present the theory and algorithms for the sinc-based separable approximation of the analytic radial basis functions including Green’s and Helmholtz kernels. The efficient tensor-based techniques for computational problems in electronic structure calculations and for the grid-based evaluation of long-range interaction potentials in multi-particle systems are considered. We also discuss the QTT numerical approach in many-particle dynamics, tensor techniques for stochastic/parametric PDEs as well as for the solution and homogenization of the elliptic equations with highly-oscillating coefficients. Contents Theory on separable approximation of multivariate functions Multilinear algebra and nonlinear tensor approximation Superfast computations via quantized tensor approximation Tensor approach to multidimensional integrodifferential equations
Author: Shi-Ju Ran Publisher: Springer Nature ISBN: 3030344894 Category : Science Languages : en Pages : 160
Book Description
Tensor network is a fundamental mathematical tool with a huge range of applications in physics, such as condensed matter physics, statistic physics, high energy physics, and quantum information sciences. This open access book aims to explain the tensor network contraction approaches in a systematic way, from the basic definitions to the important applications. This book is also useful to those who apply tensor networks in areas beyond physics, such as machine learning and the big-data analysis. Tensor network originates from the numerical renormalization group approach proposed by K. G. Wilson in 1975. Through a rapid development in the last two decades, tensor network has become a powerful numerical tool that can efficiently simulate a wide range of scientific problems, with particular success in quantum many-body physics. Varieties of tensor network algorithms have been proposed for different problems. However, the connections among different algorithms are not well discussed or reviewed. To fill this gap, this book explains the fundamental concepts and basic ideas that connect and/or unify different strategies of the tensor network contraction algorithms. In addition, some of the recent progresses in dealing with tensor decomposition techniques and quantum simulations are also represented in this book to help the readers to better understand tensor network. This open access book is intended for graduated students, but can also be used as a professional book for researchers in the related fields. To understand most of the contents in the book, only basic knowledge of quantum mechanics and linear algebra is required. In order to fully understand some advanced parts, the reader will need to be familiar with notion of condensed matter physics and quantum information, that however are not necessary to understand the main parts of the book. This book is a good source for non-specialists on quantum physics to understand tensor network algorithms and the related mathematics.
Author: Peter McCullagh Publisher: Courier Dover Publications ISBN: 0486832694 Category : Mathematics Languages : en Pages : 308
Book Description
A pioneering monograph on tensor methods applied to distributional problems arising in statistics, this work begins with the study of multivariate moments and cumulants. An invaluable reference for graduate students and professional statisticians. 1987 edition.
Author: Francis X. Giraldo Publisher: Springer Nature ISBN: 3030550699 Category : Mathematics Languages : en Pages : 559
Book Description
This book introduces the reader to solving partial differential equations (PDEs) numerically using element-based Galerkin methods. Although it draws on a solid theoretical foundation (e.g. the theory of interpolation, numerical integration, and function spaces), the book’s main focus is on how to build the method, what the resulting matrices look like, and how to write algorithms for coding Galerkin methods. In addition, the spotlight is on tensor-product bases, which means that only line elements (in one dimension), quadrilateral elements (in two dimensions), and cubes (in three dimensions) are considered. The types of Galerkin methods covered are: continuous Galerkin methods (i.e., finite/spectral elements), discontinuous Galerkin methods, and hybridized discontinuous Galerkin methods using both nodal and modal basis functions. In addition, examples are included (which can also serve as student projects) for solving hyperbolic and elliptic partial differential equations, including both scalar PDEs and systems of equations.
Author: Venera Khoromskaia
Author: Venera Khoromskaia
Author: Wolfgang Hackbusch
Author: Wolfgang Hackbusch
Author: Simone Montangero
Author: Ivan Oseledets
Author: Boris N. Khoromskij
Author: Shi-Ju Ran
Author: Boris Khoromskij
Author: Peter McCullagh
Author: Francis X. Giraldo