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A neural network-based machine learning potential energy surface (PES) expressed in a matrix product operator (NN-MPO) is proposed. The MPO form enables efficient evaluation of high-dimensional integrals that arise in solving the…

Machine Learning · Computer Science 2025-05-07 Kentaro Hino , Yuki Kurashige

Two dimensional tensor networks such as projected entangled pairs states (PEPS) are generally hard to contract. This is arguably the main reason why variational tensor network methods in 2D are still not as successful as in 1D. However,…

Quantum Physics · Physics 2016-12-07 Anurag Anshu , Itai Arad , Aditya Jain

Density Matrix Renormalization Group (DMRG) or Matrix Product States (MPS) are widely acknowledged as highly effective and accurate methods for solving one-dimensional quantum many-body systems. However, the direct application of DMRG to…

Strongly Correlated Electrons · Physics 2024-11-25 Xiangjian Qian , Jiale Huang , Mingpu Qin

We present a new wavefunction ansatz that combines the strengths of spin projection with the language of matrix product states (MPS) and matrix product operators (MPO) as used in the density matrix renormalization group (DMRG).…

Chemical Physics · Physics 2017-05-05 Zhendong Li , Garnet Kin-Lic Chan

This thesis is divided into two mainly independent parts: In the first part, we derive a criterion to determine when a translationally invariant Matrix Product State (MPS) has long range localizable entanglement, which indicates that the…

Strongly Correlated Electrons · Physics 2015-09-22 Thorsten B. Wahl

The norms or expectation values of infinite projected entangled-pair states (PEPS) cannot be computed exactly, and approximation algorithms have to be applied. In the last years, many efficient algorithms have been devised -- the corner…

We classify the different ways in which matrix product states (MPSs) can stay invariant under the action of matrix product operator (MPO) symmetries. This is achieved through a local characterization of how the MPSs, that generate a ground…

Strongly Correlated Electrons · Physics 2023-02-22 José Garre-Rubio , Laurens Lootens , András Molnár

Matrix product states (MPSs) and matrix product operators (MPOs) allow an alternative formulation of the density matrix renormalization group algorithm introduced by White. Here, we describe how non-abelian spin symmetry can be exploited in…

Chemical Physics · Physics 2016-04-05 Sebastian Keller , Markus Reiher

Recurrent neural networks (RNN) such as long-short-term memory (LSTM) networks are essential in a multitude of daily live tasks such as speech, language, video, and multimodal learning. The shift from cloud to edge computation intensifies…

Machine Learning · Computer Science 2020-06-11 Alejandro Murua , Ramchalam Ramakrishnan , Xinlin Li , Rui Heng Yang , Vahid Partovi Nia

Projected entangled pair states (PEPS) on finite two-dimensional lattices are a natural ansatz for representing ground states of local many-body Hamiltonians, as they inherently satisfy the boundary law of entanglement entropy. In this…

Strongly Correlated Electrons · Physics 2025-05-14 Daniel Alcalde Puente , Erik Lennart Weerda , Konrad Schröder , Matteo Rizzi

The density-matrix renormalization group method (DMRG) has established itself over the last decade as the leading method for the simulation of the statics and dynamics of one-dimensional strongly correlated quantum lattice systems. In the…

Strongly Correlated Electrons · Physics 2011-01-04 Ulrich Schollwoeck

Matrix product states (MPS) illustrate the suitability of tensor networks for the description of interacting many-body systems: ground states of gapped $1$-D systems are approximable by MPS as shown by Hastings [J. Stat. Mech. Theor. Exp.,…

Quantum Physics · Physics 2016-09-21 Robert Koenig , Volkher B. Scholz

Matrix product states (MPS), a tensor network designed for one-dimensional quantum systems, has been recently proposed for generative modeling of natural data (such as images) in terms of `Born machine'. However, the exponential decay of…

Machine Learning · Statistics 2019-05-13 Song Cheng , Lei Wang , Tao Xiang , Pan Zhang

The exact treatment of Markovian models of complex systems requires knowledge of probability distributions exponentially large in the number of components $n$. Mean-field approximations provide an effective reduction in complexity of the…

Statistical Mechanics · Physics 2025-03-12 Wout Merbis , Madelon Geurts , Clélia de Mulatier , Philippe Corboz

This paper introduces matrix product state (MPS) decomposition as a computational tool for extracting features of multidimensional data represented by higher-order tensors. Regardless of tensor order, MPS extracts its relevant features to…

Computer Vision and Pattern Recognition · Computer Science 2016-01-22 Johann A. Bengua , Ho N. Phien , Hoang D. Tuan , Minh N. Do

Tensor network, which originates from quantum physics, is emerging as an efficient tool for classical and quantum machine learning. Nevertheless, there still exists a considerable accuracy gap between tensor network and the sophisticated…

Machine Learning · Computer Science 2023-06-07 Ye-Ming Meng , Jing Zhang , Peng Zhang , Chao Gao , Shi-Ju Ran

This thesis contributes to the understanding of symmetry-enriched topological phases focusing on their descriptions in terms of tensor network states. The Projected Entangled Pair State (PEPS) formalism allows us to locally encode the main…

Quantum Physics · Physics 2019-12-19 José Garre-Rubio

Tensor network states are used extensively as a mathematically convenient description of physically relevant states of many-body quantum systems. Those built on regular lattices, i.e. matrix product states (MPS) in dimension 1 and projected…

Quantum Physics · Physics 2025-12-10 Cécilia Lancien , David Pérez-García

We present a method to approximate functionals $\text{Tr} \, f(A)$ of very high-dimensional hermitian matrices $A$ represented as Matrix Product Operators (MPOs). Our method is based on a reformulation of a block Lanczos algorithm in tensor…

Numerical Analysis · Computer Science 2021-04-06 Moritz August , Mari Carmen Bañuls , Thomas Huckle

The density-matrix renormalization group (DMRG) algorithm can be adapted to the calculation of dynamical correlation functions in various ways which all represent compromises between computational efficiency and physical accuracy. In this…

Strongly Correlated Electrons · Physics 2012-11-19 P. E. Dargel , A. Wöllert , A. Honecker , I. P. McCulloch , U. Schollwöck , T. Pruschke