Related papers: Automatic Synthesis of Low-Complexity Translation …
This paper considers fast algorithms for operations on linearized polynomials. We propose a new multiplication algorithm for skew polynomials (a generalization of linearized polynomials) which has sub-quadratic complexity in the polynomial…
Affine Frequency Division Multiplexing (AFDM), which is based on discrete affine Fourier transform (DAFT), has recently been proposed for reliable communication in high-mobility scenarios. Two low complexity detectors for AFDM are…
Diverse machine translation aims at generating various target language translations for a given source language sentence. Leveraging the linear relationship in the sentence latent space introduced by the mixup training, we propose a novel…
A general polarizable embedded (PE) quantum mechanics/molecular mechanics scheme for periodic systems is presented, describing mutual polarization of the two subsystems. The QM system, described with density functional theory (DFT), is…
Symbolic Mathematical tasks such as integration often require multiple well-defined steps and understanding of sub-tasks to reach a solution. To understand Transformers' abilities in such tasks in a fine-grained manner, we deviate from…
In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…
Exascale systems are predicted to have approximately one billion cores, assuming Gigahertz cores. Limitations on affordable network topologies for distributed memory systems of such massive scale bring new challenges to the current parallel…
We propose high-order FDTD schemes based on the Correction Function Method (CFM) for Maxwell's interface problems with discontinuous coefficients and complex interfaces. The key idea of the CFM is to model the correction function near an…
We describe a methodology for designing efficient parallel and distributed scientific software. This methodology utilizes sequences of mechanizable algebra--based optimizing transformations. In this study, we apply our methodology to the…
Quasi-2D Coulomb systems are of fundamental importance and have attracted much attention in many areas nowadays. Their reduced symmetry gives rise to interesting collective behaviors, but also brings great challenges for particle-based…
With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…
This article presents a new high-order accurate algorithm for finding a particular solution to a linear, constant-coefficient partial differential equation (PDE) by means of a convolution of the volumetric source function with the Green's…
The basic idea of fast Monte Carlo (MC) simulations is to perform particle-based MC simulations with the excluded-volume interactions modeled by "soft" repulsive potentials that allow particle overlapping. This gives much faster system…
The rise of automated code generation tools, such as large language models (LLMs), has introduced new challenges in ensuring the correctness and efficiency of scientific software, particularly in complex kernels, where numerical stability,…
This paper proposes a highly efficient global coded-multiplexing scheme, conceptualized as Orthogonal Frequency Division Multiplexing over a finite field (FF-OFDM), for reliable multiuser communications. By utilizing a prime length cyclic…
The efficient simulation of fluid-structure interactions at zero Reynolds number requires the use of fast summation techniques in order to rapidly compute the long-ranged hydrodynamic interactions between the structures. One approach for…
We present a method to compute the Fermi function of the Hamiltonian for a system of independent fermions, based on an exact decomposition of the grand-canonical potential. This scheme does not rely on the localization of the orbitals and…
Recently, a new polynomial basis over binary extension fields was proposed such that the fast Fourier transform (FFT) over such fields can be computed in the complexity of order $\mathcal{O}(n\lg(n))$, where $n$ is the number of points…
Effective field theory (EFT) methods for a uniform system of fermions with short-range, natural interactions are extended to include pairing correlations, as part of a program to develop a systematic Kohn-Sham density functional theory…
We present an efficient algorithm for computing the exact exchange contributions in the Hartree-Fock and hybrid density functional theory models on the basis of the fast multipole method (FMM). Our algorithm is based on the observation that…