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This work presents a comparative study of new and existing optimization and diagonalization methods for solving time-independent partial differential equations (PDEs) using matrix product states (MPS) in the quantized tensor-train formalism…

Quantum Physics · Physics 2026-02-17 Paula García-Molina , Luca Tagliacozzo , Juan José García-Ripoll

We optimize matrix-product state-based algorithms for simulating quantum circuits with finite fidelity, specifically the time-evolving block decimation (TEBD) and the density-matrix renormalization group (DMRG) algorithms, by exploiting the…

We introduce and systematically investigate a novel approach combining the Uhlmann gauge bundle with Density Matrix Renormalization Group (DMRG) and Matrix Product State (MPS) techniques to enhance the representation and preservation of…

Quantum Physics · Physics 2025-07-16 Andrei Tudor Patrascu

Machine learning (ML) is successful in achieving human-level performance in various fields. However, it lacks the ability to explain an outcome due to its black-box nature. While existing explainable ML is promising, almost all of these…

Machine Learning · Computer Science 2021-03-23 Zhixin Pan , Prabhat Mishra

The tensor-network renormalization group (TNRG) is an accurate numerical real-space renormalization group method for studying phase transitions in both quantum and classical systems. Continuous phase transitions, as an important class of…

Statistical Mechanics · Physics 2026-03-27 Xinliang Lyu

This article compares the tensor method density matrix renormalization group (DMRG) with two neural network based methods -namely FermiNet and PauliNet) for determining the ground state wavefunction of the many-body electronic…

Optimization and Control · Mathematics 2024-12-05 Mathias Dus , Geneviève Dusson , Virginie Ehrlacher , Clément Guillot , Joel Pascal Soffo Wambo

In this work, we simulate the electron dynamics in molecular systems with the Time-Dependent Density Matrix Renormalization Group (TD-DMRG) algorithm. We leverage the generality of the so-called tangent-space TD-DMRG formulation and design…

Chemical Physics · Physics 2021-06-08 Alberto Baiardi

We speed up thermal simulations of quantum many-body systems in both one- (1D) and two-dimensional (2D) models in an exponential way by iteratively projecting the thermal density matrix $\hat\rho=e^{-\beta \hat{H}}$ onto itself. We refer to…

Strongly Correlated Electrons · Physics 2018-10-08 Bin-Bin Chen , Lei Chen , Ziyu Chen , Wei Li , Andreas Weichselbaum

Configuration-interaction-type calculations on electronic and vibrational structure are often the method of choice for the reliable approximation of many-particle wave functions and energies. The exponential scaling, however, limits their…

Computational Physics · Physics 2019-05-24 Alberto Baiardi , Christopher J. Stein , Vincenzo Barone , Markus Reiher

In recent years graphical processing units (GPUs) have become a powerful tool in scientific computing. Their potential to speed up highly parallel applications brings the power of high performance computing to a wider range of users.…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-26 Uldis Locans , Andreas Adelmann , Andreas Suter , Jannis Fischer , Werner Lustermann , Gunther Dissertori , Qiulin Wang

Tensor Networks are non-trivial representations of high-dimensional tensors, originally designed to describe quantum many-body systems. We show that Tensor Networks are ideal vehicles to connect quantum mechanical concepts to machine…

High Energy Physics - Phenomenology · Physics 2021-09-09 Jack Y. Araz , Michael Spannowsky

Variational approaches for the calculation of vibrational wave functions and energies are a natural route to obtain highly accurate results with controllable errors. However, the unfavorable scaling and the resulting high computational cost…

Chemical Physics · Physics 2017-08-14 Alberto Baiardi , Christopher J. Stein , Vincenzo Barone , Markus Reiher

An efficient density matrix renormalization group (DMRG) algorithm is presented for the Bethe lattice with connectivity $Z = 3$ and antiferromagnetic exchange between nearest neighbor spins $s= 1/2$ or 1 sites in successive generations $g$.…

Strongly Correlated Electrons · Physics 2015-06-03 Manoranjan Kumar , S. Ramasesha , Zoltan G. Soos

We propose an improved tensor renormalization group (TRG) algorithm, the bond-weighted TRG (BTRG). In BTRG, we generalize the conventional TRG by introducing bond weights on the edges of the tensor network. We show that BTRG outperforms the…

Statistical Mechanics · Physics 2022-03-03 Daiki Adachi , Tsuyoshi Okubo , Synge Todo

Driven by deep learning, there has been a surge of specialized processors for matrix multiplication, referred to as TensorCore Units (TCUs). These TCUs are capable of performing matrix multiplications on small matrices (usually 4x4 or…

Performance · Computer Science 2019-11-26 Abdul Dakkak , Cheng Li , Isaac Gelado , Jinjun Xiong , Wen-mei Hwu

I revisit the infinite-size variant of the Density Matrix Renormalization Group (iDMRG) algorithm for obtaining a fixed-point translationally invariant matrix product wavefunction in the context of one-dimensional quantum systems. A crucial…

Strongly Correlated Electrons · Physics 2008-04-17 I. P. McCulloch

We investigate the application of the Density Matrix Renormalization Group (DMRG) to the Hubbard model in momentum-space. We treat the one-dimensional models with dispersion relations corresponding to nearest-neighbor hopping and $1/r$…

Strongly Correlated Electrons · Physics 2009-11-07 Satoshi Nishimoto , Eric Jeckelmann , Florian Gebhard , Reinhard M. Noack

We have applied the momentum space version of the Density Matrix Renormalization Group method ($k$-DMRG) in quantum chemistry in order to study the accuracy of the algorithm in the new context. We have shown numerically that it is possible…

Strongly Correlated Electrons · Physics 2009-02-06 O. Legeza , J. Roder , B. A. Hess

Matrix multiplication is a fundamental operation in both training of neural networks and inference. To accelerate matrix multiplication, Graphical Processing Units (GPUs) provide it implemented in hardware. Due to the increased throughput…

Mathematical Software · Computer Science 2026-04-07 Faizan A. Khattak , Mantas Mikaitis

A tensor network renormalization algorithm with global optimization based on the corner transfer matrix is proposed. Since the environment is updated by the corner transfer matrix renormalization group method, the forward-backward iteration…

Statistical Mechanics · Physics 2021-01-26 Satoshi Morita , Naoki Kawashima