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Matrix-multiply-accumulate (MMA) units, or tensor cores, are now widespread across modern computing architectures. Yet, their use for particle-grid operators remains limited. In implicit particle methods, mass-matrix assembly is a…
The Feynman--Hellmann approach to computing matrix elements in lattice QCD by first adding a perturbing operator to the action is described using the transition matrix and the Dyson expansion formalism. This perturbs the energies in the…
The CP decomposition for high dimensional non-orthogonal spiked tensors is an important problem with broad applications across many disciplines. However, previous works with theoretical guarantee typically assume restrictive incoherence…
Machine learning potentials (MLPs) are becoming powerful tools for performing accurate atomistic simulations and crystal structure optimizations. An approach to developing MLPs employs a systematic set of polynomial invariants including…
The $GW$ method is widely used for calculating the electronic band structure of materials. The high computational cost of $GW$ algorithms prohibits their application to many systems of interest. We present a periodic, low-scaling and highly…
A new method for calculating the total energy of Si systems is presented. The method is based on the effective-medium theory concept of a reference system. Instead of calculating the energy of an atom in the system of interest a reference…
This article provides next step towards solving speed bottleneck of any system that intensively uses convolutions operations (e.g. CNN). Method described in the article is applied on deformable part models (DPM) algorithm. Method described…
The computation of approximating e^tA B, where A is a large sparse matrix and B is a rectangular matrix, serves as a crucial element in numerous scientific and engineering calculations. A powerful way to consider this problem is to use…
For one-dimensional systems with delta-contact interactions, the convergence of the exact-diagonalization method is tested with a basis of harmonic oscillator eigenfunctions with frequency $\Omega$ optimized through the minimization of the…
We present a novel method for predicting binary phase diagrams through the automatic construction of a minimal basis set of representative templates. The core assumption is that any materials space can be divided into a small number of…
Matrix-variate optimization plays a central role in advanced wireless system designs. In this paper, we aim to explore optimal solutions of matrix variables under two special structure constraints using complex matrix derivatives, including…
The GW approximation is widely used for reliable and accurate modeling of single-particle excitations. It also serves as a starting point for many theoretical methods, such as its use in the Bethe-Salpeter equation (BSE) and dynamical…
We address the problem of tensor decomposition in application to direction-of-arrival (DOA) estimation for transmit beamspace (TB) multiple-input multiple-output (MIMO) radar. A general 4-order tensor model that enables computationally…
In massive MIMO (M-MIMO) systems, one of the key challenges in the implementation is the large-scale matrix inversion operation, as widely used in channel estimation, equalization, detection, and decoding procedures. Traditionally, to…
Autonomous materials discovery with desired properties is one of the ultimate goals for materials science, and the current studies have been focusing mostly on high-throughput screening based on density functional theory calculations and…
An improved formalism of the two-neutrino double-beta decay ($2\nu\beta\beta$-decay) rate is presented, which takes into account the dependence of energy denominators on lepton energies via the Taylor expansion. Till now, only the leading…
Tensor computations--in particular tensor contraction (TC)--are important kernels in many scientific computing applications. Due to the fundamental similarity of TC to matrix multiplication (MM) and to the availability of optimized…
Precise calculations of core properties in heavy-atom systems which are described by the operators heavily concentrated in atomic cores, like to hyperfine structure and P,T-parity nonconservation effects, usually require accounting for…
Massive MIMO is currently a leading physical layer technology candidate that can dramatically enhance throughput in 5G systems, for both unicast and multicast transmission modalities. As antenna elements are becoming smaller and cheaper in…
Wigner crystals are typically confined to ultralow temperatures where thermal motion is frozen out. Moir\'e superlattices in twisted two-dimensional materials have extended their stability to higher temperatures and densities, but rely on…