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Approaching the 1.5329-dB shaping (granular) gain limit in mean-squared error (MSE) quantization of R^n is important in a number of problems, notably dirty-paper coding. For this purpose, we start with a binary low-density generator-matrix…
Nonnegative matrix factorization (NMF) has been successfully applied in several data mining tasks. Recently, there is an increasing interest in the acceleration of NMF, due to its high cost on large matrices. On the other hand, the privacy…
To alleviate the suboptimal performance of belief propagation (BP) decoding of short low-density parity-check (LDPC) codes, a plethora of improved decoding algorithms has been proposed over the last two decades. Many of these methods can be…
We present an efficient preconditioning technique for accelerating the fixed point iteration in real-space Kohn-Sham density functional theory (DFT) calculations. The preconditioner uses a low rank approximation of the dielectric matrix…
The idea of using fragment embedding to circumvent the high computational scaling of accurate electronic structure methods while retaining high accuracy has been a long-standing goal for quantum chemists. Traditional fragment embedding…
Approximation methods are widely used in many fields and many techniques have been published already. This comparative study presents a comparison of LOWESS (Locally weighted scatterplot smoothing) and RBF (Radial Basis Functions)…
Localized representation of the Kohn-Sham subspace plays an important role in quantum chemistry and materials science. The recently developed selected columns of the density matrix (SCDM) method [J. Chem. Theory Comput. 11, 1463, 2015] is a…
In this paper, we present an efficient algorithm to sample random sparse matrices to be used as check matrices for quantum Low-Density Parity-Check (LDPC) codes. To ease the treatment, we mainly describe our algorithm as a technique to…
The requirement for accelerated and quantitatively accurate screening of nuclear magnetic resonance spectra across the small molecules chemical compound space is two-fold: (1) a robust `local' machine learning (ML) strategy capturing the…
X-ray photoelectron spectroscopy (XPS) measures core-electron binding energies (CEBEs) to reveal element-specific insights into chemical environment and bonding. Accurate theoretical CEBE prediction aids XPS interpretation but requires…
Due to dependence between codeword elements, index modulation (IM) and related modulation techniques struggle to provide simple solutions for practical problems such as Gray coding between information bits and constellation points; and…
An algorithm for first-principles electronic structure calculations having a computational cost which scales linearly with the system size is presented. Our method exploits the real-space localization of the density matrix, and in this…
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…
Complex band structures (CBSs) are useful to characterize the static and dynamical electronic properties of materials. Despite the intensive developments, the first-principles calculation of CBS for over several hundred atoms is still…
The Density Matrix Renormalization Group (DMRG) method has become a prominent tool for simulating strongly correlated electronic systems characterized by dominant static correlation effects. However, capturing the full scope of electronic…
Future galaxy surveys require one percent precision in the theoretical knowledge of the power spectrum over a large range including very nonlinear scales. While this level of accuracy is easily obtained in the linear regime with…
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, dynamical…
We perform a calculation of the nuclear magnetic shielding in HD and HT molecules, with complete and perturbative accounts for nuclear masses. From the difference in shielding, we obtain the deuteron and triton magnetic moments in agreement…
Obtainable computational efficiency is evaluated when using an Adaptive Mesh Refinement (AMR) strategy in time accurate simulations governed by sets of conservation laws. For a variety of 1D, 2D, and 3D hydro- and magnetohydrodynamic…
Laboratories and Universities regularly apply for approval from the United States Nuclear Regulatory Commission (NRC) to use neutron generators for experimental research. To comply with the regulations set by the NRC, adequate shielding is…