相关论文: TriCCo -- a cubulation-based method for computing …
We present GridFF, an efficient method for simulating molecules on rigid substrates, derived from techniques used in protein-ligand docking in biochemistry. By projecting molecule-substrate interactions onto precomputed spatial grids with…
Grid computing has attracted many researchers over a few years, and as a result many new protocols have emerged and also evolved since its inception a decade ago. Grid protocols play major role in implementing services that facilitate…
This paper presents a new algorithm, TRIMOR, to analyse multi-order spectra of triple systems. The algorithm is an extension of TRICOR, the three-dimensional correlation technique that derives the radial velocities of triple stellar systems…
The bulk power grid is divided into regional grids interconnected with multiple tie-lines for efficient operation. Since interconnected power grids are operated by different control centers, it is a challenging task to realize coordinated…
Lossy compression is widely used to reduce storage and I/O costs for large-scale particle datasets in scientific applications such as cosmology, molecular dynamics, and fluid dynamics, where clustering structures (e.g., single-linkage or…
This paper proposes a new paradigm and computational framework for identification of correspondences between sub-structures of distinct composite systems. For this, we define and investigate a variant of traditional data clustering, termed…
This paper introduces a new reconfiguration problem of matchings in a triangular grid graph. In this problem, we are given a nearly perfect matching in which each matching edge is labeled, and aim to transform it to a target matching by…
We discuss recently introduced numerical linked-cluster (NLC) algorithms that allow one to obtain temperature-dependent properties of quantum lattice models, in the thermodynamic limit, from exact diagonalization of finite clusters. We…
Biological systems possess remarkable capabilities for self-recognition and morphological regeneration, often relying solely on local interactions. Inspired by these decentralized processes, we present a novel system of physical 3D…
Listing and counting triangles in graphs is a key algorithmic kernel for network analyses, including community detection, clustering coefficients, k-trusses, and triangle centrality. In this paper, we propose the novel concept of a…
Nowadays, climate models rely on couplers. Each complete climate model is broken into different sub-models (oceanic, atmospheric,...), each one working on a different grid. The coupler brings these models together and interpolates the…
Multi-connected universe models with space identification scales smaller than the size of the observable universe produce topological images of cosmic sources. We generalise to locally hyperbolic spaces the crystallographic method, aimed to…
Understanding the global organization of complicated and high dimensional data is of primary interest for many branches of applied sciences. It is typically achieved by applying dimensionality reduction techniques mapping the considered…
Clustering is one of the major tasks in data mining. In the last few years, Clustering of spatial data has received a lot of research attention. Spatial databases are components of many advanced information systems like geographic…
Higher-order correlation functions are firmly established as a fundamental tool for the statistical analysis of clustering in modern galaxy surveys. It was demonstrated that they greatly enrich the information content extracted by two-point…
We simulated the 3-band Hubbard model using the Constrained Path Monte Carlo (CPMC) method in search for a possible superconducting ground state. The CPMC is a ground state method which is free of the exponential scaling of computing time…
Triangle strips have been widely used for efficient rendering. It is NP-complete to test whether a given triangulated model can be represented as a single triangle strip, so many heuristics have been proposed to partition models into few…
Cohomology and cohomology ring of three-dimensional (3D) objects are topological invariants that characterize holes and their relations. Cohomology ring has been traditionally computed on simplicial complexes. Nevertheless, cubical…
We describe the topological cluster classification (TCC) algorithm. The TCC detects local structures with bond topologies similar to isolated clusters which minimise the potential energy for a number of monatomic and binary simple liquids…
Density-based clustering techniques are used in a wide range of data mining applications. One of their most attractive features con- sists in not making use of prior knowledge of the number of clusters that a dataset contains along with…