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Automatic Differentiation (AD) is a powerful tool that allows calculating derivatives of implemented algorithms with respect to all of their parameters up to machine precision, without the need to explicitly add any additional functions.…

Chemical Physics · Physics 2020-06-23 Teresa Tamayo-Mendoza , Christoph Kreisbeck , Roland Lindh , Alán Aspuru-Guzik

Automatic differentiation---the mechanical transformation of numeric computer programs to calculate derivatives efficiently and accurately---dates to the origin of the computer age. Reverse mode automatic differentiation both antedates and…

Machine Learning · Computer Science 2014-04-30 Atilim Gunes Baydin , Barak A. Pearlmutter

Parametric manifold optimization problems frequently arise in various machine learning tasks, where state functions are defined on infinite-dimensional manifolds. We propose a unified accelerated natural gradient descent (ANGD) framework to…

Optimization and Control · Mathematics 2025-04-09 Chenyi Li , Shuchen Zhu , Zhonglin Xie , Zaiwen Wen

The full-density-matrix numerical renormalization group (NRG) has evolved as a systematic and transparent setting for the cal- culation of thermodynamical quantities at arbitrary temperatures within the NRG framework. It directly evaluates…

Strongly Correlated Electrons · Physics 2013-05-30 Andreas Weichselbaum

We show that artificial neural networks (ANNs) can, to high accuracy, determine the topological invariant of a disordered system given its two-dimensional real-space Hamiltonian. Furthermore, we describe a "renormalization-group" (RG)…

Disordered Systems and Neural Networks · Physics 2022-06-22 Gilad Margalit , Omri Lesser , T. Pereg-Barnea , Yuval Oreg

The physical properties of a quantum many-body system can, in principle, be determined by diagonalizing the respective Hamiltonian, but the dimensions of its matrix representation scale exponentially with the number of degrees of freedom.…

Strongly Correlated Electrons · Physics 2023-09-13 G. Catarina , Bruno Murta

We perform a data-driven dimensionality reduction of the scale-dependent 4-point vertex function characterizing the functional Renormalization Group (fRG) flow for the widely studied two-dimensional $t - t'$ Hubbard model on the square…

We present a hybrid lattice Hamiltonian truncation method that integrates the numerical renormalization group (NRG) with a truncated lattice integrable spectrum. The technique is tailored for generic deformations of integrable lattice…

Strongly Correlated Electrons · Physics 2025-11-18 Xiaodong He , Xiao Wang , Jianda Wu

Simulation-based optimization using agent-based models is typically carried out under the assumption that the gradient describing the sensitivity of the simulation output to the input cannot be evaluated directly. To still apply…

Machine Learning · Computer Science 2021-03-24 Philipp Andelfinger

Second-order training methods have better convergence properties than gradient descent but are rarely used in practice for large-scale training due to their computational overhead. This can be viewed as a hardware limitation (imposed by…

Machine Learning · Computer Science 2024-05-24 Kaelan Donatella , Samuel Duffield , Maxwell Aifer , Denis Melanson , Gavin Crooks , Patrick J. Coles

Wilson's Numerical Renormalization Group (NRG) is so far the only nonperturbative technique that can reliably access low-energy properties of quantum impurity systems. We present a recent extension of the method, the DM-NRG, which yields…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Walter Hofstetter

The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise calculation of static, dynamic and…

Strongly Correlated Electrons · Physics 2008-11-26 Karen Hallberg

We consider the problem of approximating a function by an element of a nonlinear manifold which admits a differentiable parametrization, typical examples being neural networks with differentiable activation functions or tensor networks.…

Machine Learning · Computer Science 2026-04-20 Anthony Nouy , Agustín Somacal

Backpropagation is a classic automatic differentiation algorithm computing the gradient of functions specified by a certain class of simple, first-order programs, called computational graphs. It is a fundamental tool in several fields, most…

Logic in Computer Science · Computer Science 2019-11-07 Alois Brunel , Damiano Mazza , Michele Pagani

The Newmark/Newton-Raphson (NNR) method is widely employed for solving nonlinear dynamic systems. However, the current NNR method exhibits limited applicability in complex nonlinear dynamic systems, as the acquisition of the Jacobian matrix…

Computational Engineering, Finance, and Science · Computer Science 2025-06-17 Yifan Jiang , Yuhong Jin , Lei Hou , Yi Chen , Andong Cong

Real Space Renormalization Group (RSRG) techniques and their applications, mainly to quantum mechanics and to partial differential equations, are discussed. Special emphasis is given to the theoretical insight and the reasons for the…

Statistical Mechanics · Physics 2007-05-23 Javier Rodriguez-Laguna

Exploiting symmetries in the numerical renormalization group (NRG) method significantly enhances performance by improving accuracy, increasing computational speed, and optimizing memory efficiency. Published codes focus on continuous…

Strongly Correlated Electrons · Physics 2024-09-19 Aitor Calvo-Fernández , María Blanco-Rey , Asier Eiguren

Expanding and improving the repertoire of numerical methods for studying quantum lattice models is an ongoing focus in many-body physics. While the density matrix renormalization group (DMRG) has been established as a practically useful…

Strongly Correlated Electrons · Physics 2021-09-28 Maxwell Block , Johannes Motruk , Snir Gazit , Michael P. Zaletel , Zeph Landau , Umesh Vazirani , Norman Y. Yao

Perturbation theory is a crucial tool for many physical systems, when exact solutions are not available, or nonperturbative numerical solutions are intractable. Naive perturbation theory often fails on long timescales, leading to secularly…

High Energy Physics - Theory · Physics 2021-10-01 José T. Gálvez Ghersi , Leo C. Stein

Stochastic optimization plays a crucial role in the advancement of deep learning technologies. Over the decades, significant effort has been dedicated to improving the training efficiency and robustness of deep neural networks, via various…

Machine Learning · Computer Science 2024-08-21 Huixiu Jiang , Ling Yang , Yu Bao , Rutong Si , Sikun Yang