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There are now a wide variety of packages for electronic structure calculations, each of which differs in the algorithms implemented and the output format. Many computational chemistry algorithms are only available to use...

Phaser is a program for phasing macromolecular crystal structures by both molecular replacement and experimental phasing methods. The novel phasing algorithms implemented in Phaser have been developed using maximum likel...

Subjects / keywords: Cluster analysis; Spectral clustering; CURE data clustering algorithm; Computer science; Canopy clustering algorithm; Correlation clustering; Intuition; Theoretical computer science; Algorithm; Data mining; Artificial in...

Subjects / keywords: Computer science; Mathematics; Set theory; Problems, exercises, etc; Algorithms; Logic, Symbolic and mathematical; Problems and exercises; Electronic books

Decomposition is a basic strategy in traditional multiobjective optimization. However, it has not yet been widely used in multiobjective evolutionary optimization. This paper proposes a multiobjective evolutionary algori...

Subjects / keywords: Diffeomorphism; Image registration; Computation; Artificial intelligence; Multigrid method; Nonlinear system; Inverse; Image (mathematics); Algorithm; Computer science; Computer vision; Mathematics

Subjects / keywords: Computer science; Evolutionary algorithm; Algorithm; Artificial intelligence

Subjects / keywords: Computer science; Data mining; Cluster analysis; Association rule learning; Naive Bayes classifier; AdaBoost; Statistical classification; Apriori algorithm; Support vector machine; Algorithm; Machine learning; Data strea...

This paper provides a theoretical framework for analysis of consensus algorithms for multi-agent networked systems with an emphasis on the role of directed information flow, robustness to changes in network topology due ...

We propose a novel image denoising strategy based on an enhanced sparse representation in transform domain. The enhancement of the sparsity is achieved by grouping similar 2-D image fragments (e.g., blocks) into 3-D data...

Alignment quality may have as much impact on phylogenetic reconstruction as the phylogenetic methods used. Not only the alignment algorithm, but also the method used to deal with the most problematic alignment regions, m...

This paper demonstrates theoretically and empirically that a greedy algorithm called Orthogonal Matching Pursuit (OMP) can reliably recover a signal with $m$ nonzero entries in dimension $d$ given $ {\rm O}(m \ln d)$ ra...

We consider the problem of estimating sparse graphs by a lasso penalty applied to the inverse covariance matrix. Using a coordinate descent procedure for the lasso, we develop a simple algorithm--the graphical lasso--tha...

The k-means method is a widely used clustering technique that seeks to minimize the average squared distance between points in the same cluster. Although it offers no accuracy guarantees, its simplicity and speed are ver...

Subjects / keywords: Particle swarm optimization; Swarming (honey bee); Computer science; Multi-swarm optimization; Metaheuristic; Swarm behaviour; Snapshot (computer storage); Mathematical optimization; Algorithm; Artificial intelligence; M...

Subjects / keywords: TREMBLAY, JEAN-PAUL; MCGRAW-HILL; 005.113 T789in

Subjects / keywords: Python (Computer program language); Data structures (Computer science); Computer algorithms

Subjects / keywords: Text processing (Computer science); Genetic algorithms; Computational linguistics

Subjects / keywords: Computer algorithms; Databases; Data structures (Computer science); Structured programming

Papers from the 2006 flagship meeting on neural computation, with contributions from physicists, neuroscientists, mathematicians, statisticians, and computer scientists. The annual Neural Information Processing Systems (...

MOTIVATION: Clustering of individuals into populations on the basis of multilocus genotypes is informative in a variety of settings. In population-genetic clustering algorithms, such as BAPS, STRUCTURE and TESS, individu...

SUMMARY: The Clustal W and Clustal X multiple sequence alignment programs have been completely rewritten in C++. This will facilitate the further development of the alignment algorithms in the future and has allowed prop...

The authors present a new molecular dynamics algorithm for sampling the canonical distribution. In this approach the velocities of all the particles are rescaled by a properly chosen random factor. The algorithm is forma...

Identification of key factors associated with the risk of developing cardiovascular disease and quantification of this risk using multivariable prediction algorithms are among the major advances made in preventive cardio...