Related papers: Spectral Functions with the Density Matrix Renorma…
The accurate computation of low-energy spectra of strongly correlated quantum many-body systems, typically accessed via Green's-functions, is a long-standing problem posing enormous challenges to numerical methods. When the spectral…
We introduce the transcorrelated Density Matrix Renormalization Group (tcDMRG) theory for the efficient approximation of the energy for strongly correlated systems. tcDMRG encodes the wave function as a product of a fixed Jastrow or…
In this paper, we propose a second order optimization method to learn models where both the dimensionality of the parameter space and the number of training samples is high. In our method, we construct on each iteration a Krylov subspace…
We propose a novel algorithm based on inexact GMRES methods for linear response calculations in density functional theory. Such calculations require iteratively solving a nested linear problem $\mathcal{E} \delta\rho = b$ to obtain the…
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…
We present a tangent-space Krylov (TaSK) method for efficient computation of zero-temperature real-frequency spectral functions on top of ground state (GS) matrix product states (MPS) obtained from the Density Matrix Renormalization Group.…
We describe a randomized Krylov-subspace method for estimating the spectral condition number of a real matrix A or indicating that it is numerically rank deficient. The main difficulty in estimating the condition number is the estimation of…
Many scientific applications require the evaluation of the action of the matrix function over a vector and the most common methods for this task are those based on the Krylov subspace. Since the orthogonalization cost and memory requirement…
The density-matrix renormalization group (DMRG) is a numerical algorithm for the efficient truncation of the Hilbert space of low-dimensional strongly correlated quantum systems based on a rather general decimation prescription. This…
Model-based reconstruction plays a key role in compressed sensing (CS) MRI, as it incorporates effective image regularizers to improve the quality of reconstruction. The Plug-and-Play and Regularization-by-Denoising frameworks leverage…
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…
In classical frameworks as the Euclidean space, positive definite kernels as well as their analytic properties are explicitly available and can be incorporated directly in kernel-based learning algorithms. This is different if the…
Spectral reconstruction is a well studied numerically ill-posed problem which arises due to the relation of the Euclidean correlator to the spectral function via an inhomogeneous Fredholm equation of the first kind. Several different…
Randomized block Krylov subspace methods form a powerful class of algorithms for computing the extreme eigenvalues of a symmetric matrix or the extreme singular values of a general matrix. The purpose of this paper is to develop new…
Many optimization problems require hyperparameters, i.e., parameters that must be pre-specified in advance, such as regularization parameters and parametric regularizers in variational regularization methods for inverse problems, and…
Identifying coherent spatiotemporal patterns generated by complex dynamical systems is a central problem in many science and engineering disciplines. Here, we combine ideas from the theory of operator-valued kernels with delay-embedding…
This paper introduces new solvers for efficiently computing solutions to large-scale inverse problems with group sparsity regularization, including both non-overlapping and overlapping groups. Group sparsity regularization refers to a type…
This paper has proposed the GMRES that augments Krylov subspaces with a set of approximate right singular vectors. The proposed method suppresses the error norms of a linear system of equations. Numerical experiments comparing the proposed…
Given a Hamiltonian with a continuous symmetry one can generally factorize that symmetry and consider the dynamics on invariant Hilbert Spaces. In Statistical Mechanics this procedure is known as the vertex-IRF map, and in certain cases,…
Mixed-effects models are widely used to model data with hierarchical grouping structures and high-cardinality categorical predictor variables. However, for high-dimensional crossed random effects, current standard computations relying on…