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999,564
Numerical integration of the Cartesian equations of motion of a system with constraints: molecular dynamics of nalkanes
 J. Comput. Phys
, 1977
"... A numerical algorithm integrating the 3N Cartesian equations of motion of a system of N points subject to holonomic constraints is formulated. The relations of constraint remain perfectly fulfilled at each step of the trajectory despite the approximate character of numerical integration. The method ..."
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Cited by 682 (6 self)
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model, (b) the derivation of the equations of motion of the system and (c) the choice of an efficient algorithm for the numerical integration of these equations. In polyatomic molecules, the fast internal vibrations are usually decoupled from
Fast Effective Rule Induction
, 1995
"... Many existing rule learning systems are computationally expensive on large noisy datasets. In this paper we evaluate the recentlyproposed rule learning algorithm IREP on a large and diverse collection of benchmark problems. We show that while IREP is extremely efficient, it frequently gives error r ..."
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Cited by 1257 (21 self)
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Many existing rule learning systems are computationally expensive on large noisy datasets. In this paper we evaluate the recentlyproposed rule learning algorithm IREP on a large and diverse collection of benchmark problems. We show that while IREP is extremely efficient, it frequently gives error rates higher than those of C4.5 and C4.5rules. We then propose a number of modifications resulting in an algorithm RIPPERk that is very competitive with C4.5rules with respect to error rates, but much more efficient on large samples. RIPPERk obtains error rates lower than or equivalent to C4.5rules on 22 of 37 benchmark problems, scales nearly linearly with the number of training examples, and can efficiently process noisy datasets containing hundreds of thousands of examples.
Fast Algorithms for Mining Association Rules
, 1994
"... We consider the problem of discovering association rules between items in a large database of sales transactions. We present two new algorithms for solving this problem that are fundamentally different from the known algorithms. Empirical evaluation shows that these algorithms outperform the known a ..."
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Cited by 3551 (15 self)
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We consider the problem of discovering association rules between items in a large database of sales transactions. We present two new algorithms for solving this problem that are fundamentally different from the known algorithms. Empirical evaluation shows that these algorithms outperform the known algorithms by factors ranging from three for small problems to more than an order of magnitude for large problems. We also show how the best features of the two proposed algorithms can be combined into a hybrid algorithm, called AprioriHybrid. Scaleup experiments show that AprioriHybrid scales linearly with the number of transactions. AprioriHybrid also has excellent scaleup properties with respect to the transaction size and the number of items in the database.
Fast Parallel Algorithms for ShortRange Molecular Dynamics
 JOURNAL OF COMPUTATIONAL PHYSICS
, 1995
"... Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of interatomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dyn ..."
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Cited by 622 (6 self)
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Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of interatomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently  those with shortrange forces where the neighbors of each atom change rapidly. They can be implemented on any distributedmemory parallel machine which allows for messagepassing of data between independently executing processors. The algorithms are tested on a standard LennardJones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers  the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray YMP and C90 algorithm shows that the current generation of parallel machines is competitive with conventi...
A Simple, Fast, and Accurate Algorithm to Estimate Large Phylogenies by Maximum Likelihood
, 2003
"... The increase in the number of large data sets and the complexity of current probabilistic sequence evolution models necessitates fast and reliable phylogeny reconstruction methods. We describe a new approach, based on the maximumlikelihood principle, which clearly satisfies these requirements. The ..."
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Cited by 2109 (30 self)
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The increase in the number of large data sets and the complexity of current probabilistic sequence evolution models necessitates fast and reliable phylogeny reconstruction methods. We describe a new approach, based on the maximumlikelihood principle, which clearly satisfies these requirements
FAST VOLUME RENDERING USING A SHEARWARP FACTORIZATION OF THE VIEWING TRANSFORMATION
, 1995
"... Volume rendering is a technique for visualizing 3D arrays of sampled data. It has applications in areas such as medical imaging and scientific visualization, but its use has been limited by its high computational expense. Early implementations of volume rendering used bruteforce techniques that req ..."
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Cited by 541 (2 self)
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that require on the order of 100 seconds to render typical data sets on a workstation. Algorithms with optimizations that exploit coherence in the data have reduced rendering times to the range of ten seconds but are still not fast enough for interactive visualization applications. In this thesis we present a
A fast and high quality multilevel scheme for partitioning irregular graphs
 SIAM JOURNAL ON SCIENTIFIC COMPUTING
, 1998
"... Recently, a number of researchers have investigated a class of graph partitioning algorithms that reduce the size of the graph by collapsing vertices and edges, partition the smaller graph, and then uncoarsen it to construct a partition for the original graph [Bui and Jones, Proc. ..."
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Cited by 1173 (16 self)
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Recently, a number of researchers have investigated a class of graph partitioning algorithms that reduce the size of the graph by collapsing vertices and edges, partition the smaller graph, and then uncoarsen it to construct a partition for the original graph [Bui and Jones, Proc.
Fast Folding and Comparison of RNA Secondary Structures (The Vienna RNA Package)
"... Computer codes for computation and comparison of RNA secondary structures, the Vienna RNA package, are presented, that are based on dynamic programming algorithms and aim at predictions of structures with minimum free energies as well as at computations of the equilibrium partition functions and bas ..."
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Cited by 812 (119 self)
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Computer codes for computation and comparison of RNA secondary structures, the Vienna RNA package, are presented, that are based on dynamic programming algorithms and aim at predictions of structures with minimum free energies as well as at computations of the equilibrium partition functions and base pairing probabilities. An efficient heuristic for the inverse folding problem of RNA is introduced. In addition we present compact and efficient programs for the comparison of RNA secondary structures based on tree editing and alignment. All computer codes are written in ANSI C. They include implementations of modified algorithms on parallel computers with distributed memory. Performance analysis carried out on an Intel Hypercube shows that parallel computing becomes gradually more and more efficient the longer the sequences are.
The FF planning system: Fast plan generation through heuristic search
 Journal of Artificial Intelligence Research
, 2001
"... We describe and evaluate the algorithmic techniques that are used in the FF planning system. Like the HSP system, FF relies on forward state space search, using a heuristic that estimates goal distances by ignoring delete lists. Unlike HSP's heuristic, our method does not assume facts to be ind ..."
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Cited by 822 (53 self)
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We describe and evaluate the algorithmic techniques that are used in the FF planning system. Like the HSP system, FF relies on forward state space search, using a heuristic that estimates goal distances by ignoring delete lists. Unlike HSP's heuristic, our method does not assume facts to be independent. We introduce a novel search strategy that combines Hillclimbing with systematic search, and we show how other powerful heuristic information can be extracted and used to prune the search space. FF was the most successful automatic planner at the recent AIPS2000 planning competition. We review the results of the competition, give data for other benchmark domains, and investigate the reasons for the runtime performance of FF compared to HSP.
The modern industrial revolution, exit, and the failure of internal control systems
 JOURNAL OF FINANCE
, 1993
"... Since 1973 technological, political, regulatory, and economic forces have been changing the worldwide economy in a fashion comparable to the changes experienced during the nineteenth century Industrial Revolution. As in the nineteenth century, we are experiencing declining costs, increaing average ( ..."
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Cited by 932 (7 self)
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(but decreasing marginal) productivity of labor, reduced growth rates of labor income, excess capacity, and the requirement for downsizing and exit. The last two decades indicate corporate internal control systems have failed to deal effectively with these changes, especially slow growth
Results 1  10
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