Related papers: Efficient space virtualisation for Hoshen--Kopelma…
Given a set of Kohn-Sham orbitals from an insulating system, we present a simple, robust, efficient and highly parallelizable method to construct a set of, optionally orthogonal, localized basis functions for the associated subspace. Our…
An algorithm is developed for efficiently constructing the Lorentz covariant effective three-point vertices of the decay of a particle into two daughter particles in which all the masses and spins of the three particles can be arbitrary.…
We present a novel approach for estimating cosmological parameters, $\Omega_m$, $\sigma_8$, $w_0$, and one derived parameter, $S_8$, from 3D lightcone data of dark matter halos in redshift space covering a sky area of $40^\circ \times…
For large-scale computation of the exchange coupling constants $J_{ij}$, we reconstruct the Liechtenstein formula for localized orbital representation and simplify the energy integrations by adopting the finite pole approximation of the…
Aligning partially overlapping point sets where there is no prior information about the value of the transformation is a challenging problem in computer vision. To achieve this goal, we first reduce the objective of the robust point…
An improved neighbor list algorithm is proposed to reduce unnecessary interatomic distance calculations in molecular simulations. It combines the advantages of Verlet table and cell linked list algorithms by using cell decomposition…
Extracting cosmological parameters from galaxy/halo catalogues with sub-percent level accuracy is an important aspect of modern cosmology, especially in view of ongoing and upcoming surveys such as Euclid, DESI, and LSST. While traditional…
In this paper, we propose a method for density-based clustering in high-dimensional spaces that combines Locality-Sensitive Hashing (LSH) with the Quick Shift algorithm. The Quick Shift algorithm, known for its hierarchical clustering…
We present a computational algorithm for computing short range forces between particles. The algorithm has two distinguishing features. First, it is optimized for multi-processor computers, and will use as many processors as are available.…
In the paper, we consider the problem of robust approximation of transfer Koopman and Perron-Frobenius (P-F) operators from noisy time series data. In most applications, the time-series data obtained from simulation or experiment is…
Placing signal templates (grid points) as efficiently as possible to cover a multi-dimensional parameter space is crucial in computing-intensive matched-filtering searches for gravitational waves, but also in similar searches in other…
In Constrained Correlation Clustering, the goal is to cluster a complete signed graph in a way that minimizes the number of negative edges inside clusters plus the number of positive edges between clusters, while respecting hard constraints…
We propose a new algorithm for fast approximate nearest neighbor search based on the properties of ordered vectors. Data vectors are classified based on the index and sign of their largest components, thereby partitioning the space in a…
We give a deterministic algorithm for solving the (1+eps)-approximate Closest Vector Problem (CVP) on any n dimensional lattice and any norm in 2^{O(n)}(1+1/eps)^n time and 2^n poly(n) space. Our algorithm builds on the lattice point…
Analyzing high-dimensional data with manifold learning algorithms often requires searching for the nearest neighbors of all observations. This presents a computational bottleneck in statistical manifold learning when observations of…
The asymptotic behavior of the percolation threshold $p_c$ and its dependence upon coordination number $z$ is investigated for both site and bond percolation on four-dimensional lattices with compact extended neighborhoods. Simple…
A wide variety of methods have been used to compute percolation thresholds. In lattice percolation, the most powerful of these methods consists of microcanonical simulations using the union-find algorithm to efficiently determine the…
Accelerated algorithms for simulating the morphological evolution of strained heteroeptiaxy based on a ball and spring lattice model in three dimensions are explained. We derive exact Green's function formalisms for boundary values in the…
Recently, there has been growing interest in unconventional computing as an approach for solving NP-hard problems, by developing dedicated hardware to find solutions more efficiently than conventional CPUs. In many of these approaches,…
The localization transition and the critical properties of the Lorentz model in three dimensions are investigated by computer simulations. We give a coherent and quantitative explanation of the dynamics in terms of continuum percolation…