Related papers: A Wigner Matrix Based Convolution Algorithm For Ma…
The Wigner rotation matrix ($d$-function), which appears as a part of the angular-momentum-projection operator, plays a crucial role in modern nuclear-structure models. However, it is a long-standing problem that its numerical evaluation…
The quality of the invariant mass reconstruction of the di-{\tau} system is crucial for searches and analyses of di-{\tau} resonances. Due to the presence of neutrinos in the final state, the {\tau} {\tau} invariant mass cannot be…
We describe quantum circuits with only $\widetilde{\cal O}(N)$ Toffoli complexity that block encode the spectra of quantum chemistry Hamiltonians in a basis of $N$ arbitrary (e.g., molecular) orbitals. With ${\cal O}(\lambda / \epsilon)$…
Algorithms for the fast and exact computation of Wigner matrices are described and their application to a fast and massively parallel 4pi convolution code between a beam and a sky is also presented.
We present an algorithm for L1-norm kernel PCA and provide a convergence analysis for it. While an optimal solution of L2-norm kernel PCA can be obtained through matrix decomposition, finding that of L1-norm kernel PCA is not trivial due to…
The problem of principle component analysis (PCA) is traditionally solved by spectral or algebraic methods. We show how computing the leading principal component could be reduced to solving a \textit{small} number of well-conditioned {\it…
From configuration interaction (CI) ab initio calculations, we derive an effective two-orbital extended Hubbard model based on the gerade (g) and ungerade (u) molecular orbitals (MOs) of the charge-transfer molecular conductor (TTM-TTP)I_3…
Optimal elemental configuration search in crystal is a crucial task to discovering industrially important materials such as lithium-ion battery cathodes. In this paper we present application of quantum approximate optimization algorithm,…
Truncated Conformal Space Approach (TCSA) is a highly efficient method to compute spectra, operator matrix elements and time evolution in quantum field theories defined as relevant perturbations of 1+1-dimensional conformal field theories.…
Novel algorithm for designing values of technological parameters for production of Soft Magnetic Composites (SMC) has been created. These parameters are the following magnitudes: hardening temperature $T$ and compaction pressure $p$. They…
This work develops and illustrates a new method of calculating "chemically accurate" electronic wavefunctions (and energies) via a truncated full configuration interaction (CI) procedure which arguably circumvents the large matrix…
In this paper, we propose a Two-step Krasnosel'skii-Mann (KM) Algorithm (TKMA) with adaptive momentum for solving convex optimization problems arising in image processing. Such optimization problems can often be reformulated as fixed-point…
We study the known techniques for designing Matrix Multiplication algorithms. The two main approaches are the Laser method of Strassen, and the Group theoretic approach of Cohn and Umans. We define a generalization based on zeroing outs…
We apply the $R$-matrix method in Distorted Wave Born Approximation (DWBA) calculations. The internal wave functions are expanded over a Lagrange mesh, which provides an efficient and fast technique to compute matrix elements. We first…
A general method is described for finding algebraic expressions for matrix elements of any one- and two-particle operator for an arbitrary number of subshells in an atomic configuration, requiring neither coefficients of fractional…
Matrix approximations are a key element in large-scale algebraic machine learning approaches. The recently proposed method MEKA (Si et al., 2014) effectively employs two common assumptions in Hilbert spaces: the low-rank property of an…
We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…
Principal component analysis (PCA) is one of the most powerful tools in machine learning. The simplest method for PCA, the power iteration, requires $\mathcal O(1/\Delta)$ full-data passes to recover the principal component of a matrix with…
The directed self-assembly (DSA) of block copolymers (BCPs) offers a highly promising approach for the fabrication of contact holes or vertical interconnect access at sub-7nm technology nodes. To fabricate circular holes with precisely…
In this work, we develop a mathematical framework for a Selected Configuration Interaction (SCI) algorithm within a bi-orthogonal basis for transcorrelated (TC) calculations. The bi-orthogonal basis used here serves as the equivalent of the…