Related papers: Block Lanczos algorithm for lattice QCD spectrosco…
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…
We present results for ground and excited-state nucleon masses in quenched lattice QCD using anisotropic lattices. Group theoretical constructions of local and nonlocal straight-link irreducible operators are used to obtain suitable sources…
A generalized skew-symmetric Lanczos bidiagonalization (GSSLBD) method is proposed to compute several extreme eigenpairs of a large matrix pair $(A,B)$, where $A$ is skew-symmetric and $B$ is symmetric positive definite. The underlying…
A systematic analysis of the structure of single-baryon correlation functions calculated with lattice QCD is performed, with a particular focus on characterizing the structure of the noise associated with quantum fluctuations. The…
A determination of the excited energy eigenstates of the nucleon, $s=c{1}{2}$, $I={1}{2}$, $N^{\pm}$, is presented in full QCD using 2+1 flavor PACS-CS gauge configurations. The correlation-matrix method is used and is built using standard…
Progress in computing the spectrum of excited baryons and mesons in lattice QCD is described. Results in the zero-momentum bosonic I=1/2, S=1, T1u symmetry sector of QCD using a correlation matrix of 58 operators are presented. All needed…
Inhomogeneous dynamical mean-field theory has been employed to solve many interesting strongly interacting problems from transport in multilayered devices to the properties of ultracold atoms in a trap. The main computational step,…
We investigate the solution of low-rank matrix approximation problems using the truncated SVD. For this purpose, we develop and optimize GPU implementations for the randomized SVD and a blocked variant of the Lanczos approach. Our work…
With the Quantum Singular Value Transformation (QSVT) emerging as a unifying framework for diverse quantum speedups, the efficient construction of block encodings -- their fundamental input model -- has become increasingly crucial. However,…
We present an algorithm to compute Green's functions on quantum computers for interacting electron systems, which is a challenging task on conventional computers. It uses a continued fraction representation based on the Lanczos method,…
The dynamical properties of nuclei, carried by the concept of phonon quasiparticles (QP), are central to the field of condensed matter. While the harmonic approximation can reproduce a number of properties observed in real crystals, the…
Multidimensional coherent spectroscopy (MDCS) has been established in quantum chemistry as a powerful tool for studying the nonlinear response and nonequilibrium dynamics of molecular systems. More recently, the technique has also been…
The coupled cluster or exp S form of the eigenvalue problem for lattice Hamiltonian QCD (without quarks) is investigated. A new construction prescription is given for the calculation of the relevant coupled cluster matrix elements with…
For Hermitian positive definite linear systems and eigenvalue problems, the eigCG algorithm is a memory efficient algorithm that solves the linear system and simultaneously computes some of its eigenvalues. The algorithm is based on the…
Computing the null space of a large sparse matrix $A$ is a challenging computational problem, especially if the nullity -- the dimension of the null space -- is not small. When applying a block Lanczos method to $A^\mathsf{T} A$ for this…
We analyze randomized matrix-free quadrature algorithms for spectrum and spectral sum approximation. The algorithms studied include the kernel polynomial method and stochastic Lanczos quadrature, two widely used methods for these tasks. Our…
Compared to the classical Lanczos algorithm, the $s$-step Lanczos variant has the potential to improve performance by asymptotically decreasing the synchronization cost per iteration. However, this comes at a cost. Despite being…
We study the block-coordinate forward-backward algorithm in which the blocks are updated in a random and possibly parallel manner, according to arbitrary probabilities. The algorithm allows different stepsizes along the block-coordinates to…
Current quantization methods for LLMs predominantly rely on block-wise structures to maintain efficiency, often at the cost of representational flexibility. In this work, we demonstrate that element-wise quantization can be made as…
Variational procedure is developed that yields lowest frequencies of small-amplitude oscillations of classical Hamiltonian systems. Genuine Lanczos recursion is generalized to treat related non-Hermitian eigenvalue problems.