相关论文: Improved neighbor list algorithm in molecular simu…

Nearest neighbor is a popular class of classification methods with many desirable properties. For a large data set which cannot be loaded into the memory of a single machine due to computation, communication, privacy, or ownership…

Modern neural network technologies, including large language models, have achieved remarkable success in various applied artificial intelligence applications, however, they face a range of fundamental limitations. Among them are…

The paper deals with the developing of the methodological backgrounds for the modeling and simulation of complex dynamical objects. Such backgrounds allow us to perform coordinate transformation and formulate the algorithm of its usage for…

Particle Swarm Optimization is a global optimizer in the sense that it has the ability to escape poor local optima. However, if the spread of information within the population is not adequately performed, premature convergence may occur.…

Calculating interactions or correlations between pairs of particles is typically the most time-consuming task in particle simulation or correlation analysis. Straightforward implementations using a double loop over particle pairs have…

Reduced modeling in high-dimensional reproducing kernel Hilbert spaces offers the opportunity to approximate efficiently non-linear dynamics. In this work, we devise an algorithm based on low rank constraint optimization and kernel-based…

Nowadays the number of available processing cores within computing nodes which are used in recent clustered environments, are growing up with a rapid rate. Despite this trend, the number of available network interfaces in such computing…

This paper presents a novel meta algorithm, Partition-Merge (PM), which takes existing centralized algorithms for graph computation and makes them distributed and faster. In a nutshell, PM divides the graph into small subgraphs using our…

A fast new algorithm is proposed for numerical computation of (approximate) D-optimal designs. This "cocktail algorithm" extends the well-known vertex direction method (VDM; Fedorov 1972) and the multiplicative algorithm (Silvey,…

A linear time algorithm to find a set of nearest elements in a mesh.

Stochastic First-Order (SFO) methods have been a cornerstone in addressing a broad spectrum of modern machine learning (ML) challenges. However, their efficacy is increasingly questioned, especially in large-scale applications where…

Link prediction in a graph is the problem of detecting the missing links that would be formed in the near future. Using a graph representation of the data, we can convert the problem of classification to the problem of link prediction which…

In this paper, a novel K-Nearest Neighbour and Support Vector Machine hybrid classification technique has been proposed that is simple and robust. It is based on the concept of discriminative nearest neighbourhood classification. The…

Discovering the low-energy conformations of a molecule is of great interest to computational chemists, with applications in {\em in silico} materials design and drug discovery. In this paper, we propose a variable neighbourhood search…

This study combines simulated annealing with delta evaluation to solve the joint stratification and sample allocation problem. In this problem, atomic strata are partitioned into mutually exclusive and collectively exhaustive strata. Each…

Cell nuclei segmentation is one of the most important tasks in the analysis of biomedical images. With ever-growing sizes and amounts of three-dimensional images to be processed, there is a need for better and faster segmentation methods.…

Vertical decomposition is a widely used general technique for decomposing the cells of arrangements of semi-algebraic sets in $d$-space into constant-complexity subcells. In this paper, we settle in the affirmative a few long-standing open…

The Numerical Recipes series of books are a useful resource, but all the algorithms they contain cannot be used within open-source projects. In this paper we develop drop-in alternatives to the two algorithms they present for cubic spline…

Given a query graph that represents a pattern of interest, the emerging pattern detection problem can be viewed as a continuous query problem on a dynamic graph. We present an incremental algorithm for continuous query processing on dynamic…

In this paper we specifically present a parallel solution to finding the one-ring neighboring nodes and elements for each vertex in generic meshes. The finding of nodal neighbors is computationally straightforward but expensive for large…