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Numerical integration of the Cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

by Jean-paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen - 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 ..."
Abstract - Cited by 682 (6 self) - Add to MetaCart
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

Numerical Observations on Separatrix Crossings

by Russell Francis, Todd Young , 2002
"... We investigate one degree of freedom Hamiltonian systems when trajectories cross a separatrix. We study such systems numerically using high precision computations and compare our results with first order, analytical predictions. In all our experiments we nd oscillatory behavior which is not pred ..."
Abstract - Cited by 1 (0 self) - Add to MetaCart
We investigate one degree of freedom Hamiltonian systems when trajectories cross a separatrix. We study such systems numerically using high precision computations and compare our results with first order, analytical predictions. In all our experiments we nd oscillatory behavior which

LSQR: An Algorithm for Sparse Linear Equations and Sparse Least Squares

by Christopher C. Paige, Michael A. Saunders - ACM Trans. Math. Software , 1982
"... An iterative method is given for solving Ax ~ffi b and minU Ax- b 112, where the matrix A is large and sparse. The method is based on the bidiagonalization procedure of Golub and Kahan. It is analytically equivalent to the standard method of conjugate gradients, but possesses more favorable numerica ..."
Abstract - Cited by 649 (21 self) - Add to MetaCart
numerical properties. Reliable stopping criteria are derived, along with estimates of standard errors for x and the condition number of A. These are used in the FORTRAN implementation of the method, subroutine LSQR. Numerical tests are described comparing I~QR with several other conjugate

Atmospheric Modeling, Data Assimilation and Predictability

by Eugenia Kalnay , 2003
"... Numerical weather prediction (NWP) now provides major guidance in our daily weather forecast. The accuracy of NWP models has improved steadily since the first successful experiment made by Charney, Fj!rtoft and von Neuman (1950). During the past 50 years, a large number of technical papers and repor ..."
Abstract - Cited by 606 (36 self) - Add to MetaCart
Numerical weather prediction (NWP) now provides major guidance in our daily weather forecast. The accuracy of NWP models has improved steadily since the first successful experiment made by Charney, Fj!rtoft and von Neuman (1950). During the past 50 years, a large number of technical papers

PDDL2.1: An Extension to PDDL for Expressing Temporal Planning Domains

by Maria Fox, Derek Long , 2003
"... In recent years research in the planning community has moved increasingly towards application of planners to realistic problems involving both time and many types of resources. For example, interest in planning demonstrated by the space research community has inspired work in observation scheduling, ..."
Abstract - Cited by 601 (41 self) - Add to MetaCart
the development of a modelling language capable of expressing temporal and numeric properties of planning domains. In this paper we describe the language, PDDL2.1, that was used in the competition. We describe the syntax of the language, its formal semantics and the validation of concurrent plans. We observe

Evaluating the Accuracy of Sampling-Based Approaches to the Calculation of Posterior Moments

by John Geweke - IN BAYESIAN STATISTICS , 1992
"... Data augmentation and Gibbs sampling are two closely related, sampling-based approaches to the calculation of posterior moments. The fact that each produces a sample whose constituents are neither independent nor identically distributed complicates the assessment of convergence and numerical accurac ..."
Abstract - Cited by 583 (14 self) - Add to MetaCart
Data augmentation and Gibbs sampling are two closely related, sampling-based approaches to the calculation of posterior moments. The fact that each produces a sample whose constituents are neither independent nor identically distributed complicates the assessment of convergence and numerical

Maximum entropy markov models for information extraction and segmentation

by Andrew Mccallum, Dayne Freitag , 2000
"... Hidden Markov models (HMMs) are a powerful probabilistic tool for modeling sequential data, and have been applied with success to many text-related tasks, such as part-of-speech tagging, text segmentation and information extraction. In these cases, the observations are usually modeled as multinomial ..."
Abstract - Cited by 554 (18 self) - Add to MetaCart
Hidden Markov models (HMMs) are a powerful probabilistic tool for modeling sequential data, and have been applied with success to many text-related tasks, such as part-of-speech tagging, text segmentation and information extraction. In these cases, the observations are usually modeled

Unified analysis of discontinuous Galerkin methods for elliptic problems

by Douglas N. Arnold, Franco Brezzi, Bernardo Cockburn, L. Donatella Marini - SIAM J. Numer. Anal , 2001
"... Abstract. We provide a framework for the analysis of a large class of discontinuous methods for second-order elliptic problems. It allows for the understanding and comparison of most of the discontinuous Galerkin methods that have been proposed over the past three decades for the numerical treatment ..."
Abstract - Cited by 519 (31 self) - Add to MetaCart
Abstract. We provide a framework for the analysis of a large class of discontinuous methods for second-order elliptic problems. It allows for the understanding and comparison of most of the discontinuous Galerkin methods that have been proposed over the past three decades for the numerical

Exact Matrix Completion via Convex Optimization

by Emmanuel J. Candès, Benjamin Recht , 2008
"... We consider a problem of considerable practical interest: the recovery of a data matrix from a sampling of its entries. Suppose that we observe m entries selected uniformly at random from a matrix M. Can we complete the matrix and recover the entries that we have not seen? We show that one can perfe ..."
Abstract - Cited by 860 (27 self) - Add to MetaCart
We consider a problem of considerable practical interest: the recovery of a data matrix from a sampling of its entries. Suppose that we observe m entries selected uniformly at random from a matrix M. Can we complete the matrix and recover the entries that we have not seen? We show that one can

A tutorial on support vector machines for pattern recognition

by Christopher J. C. Burges - Data Mining and Knowledge Discovery , 1998
"... The tutorial starts with an overview of the concepts of VC dimension and structural risk minimization. We then describe linear Support Vector Machines (SVMs) for separable and non-separable data, working through a non-trivial example in detail. We describe a mechanical analogy, and discuss when SV ..."
Abstract - Cited by 3319 (12 self) - Add to MetaCart
performance is guaranteed for SVMs, there are several arguments which support the observed high accuracy of SVMs, which we review. Results of some experiments which were inspired by these arguments are also presented. We give numerous examples and proofs of most of the key theorems. There is new material
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