Journal ArticleDOI
Optimization by Simulated Annealing
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TLDR
There is a deep and useful connection between statistical mechanics and multivariate or combinatorial optimization (finding the minimum of a given function depending on many parameters), and a detailed analogy with annealing in solids provides a framework for optimization of very large and complex systems.Abstract:
There is a deep and useful connection between statistical mechanics (the behavior of systems with many degrees of freedom in thermal equilibrium at a finite temperature) and multivariate or combinatorial optimization (finding the minimum of a given function depending on many parameters). A detailed analogy with annealing in solids provides a framework for optimization of the properties of very large and complex systems. This connection to statistical mechanics exposes new information and provides an unfamiliar perspective on traditional optimization problems and methods.read more
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Deep Learning
TL;DR: Deep learning as mentioned in this paper is a form of machine learning that enables computers to learn from experience and understand the world in terms of a hierarchy of concepts, and it is used in many applications such as natural language processing, speech recognition, computer vision, online recommendation systems, bioinformatics, and videogames.
Journal ArticleDOI
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
Oleg Trott,Arthur J. Olson +1 more
TL;DR: AutoDock Vina achieves an approximately two orders of magnitude speed‐up compared with the molecular docking software previously developed in the lab, while also significantly improving the accuracy of the binding mode predictions, judging by tests on the training set used in AutoDock 4 development.
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Stochastic Relaxation, Gibbs Distributions, and the Bayesian Restoration of Images
Stuart Geman,Donald Geman +1 more
TL;DR: The analogy between images and statistical mechanics systems is made and the analogous operation under the posterior distribution yields the maximum a posteriori (MAP) estimate of the image given the degraded observations, creating a highly parallel ``relaxation'' algorithm for MAP estimation.
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Probabilistic Reasoning in Intelligent Systems: Networks of Plausible Inference
TL;DR: Probabilistic Reasoning in Intelligent Systems as mentioned in this paper is a complete and accessible account of the theoretical foundations and computational methods that underlie plausible reasoning under uncertainty, and provides a coherent explication of probability as a language for reasoning with partial belief.
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Data clustering: a review
TL;DR: An overview of pattern clustering methods from a statistical pattern recognition perspective is presented, with a goal of providing useful advice and references to fundamental concepts accessible to the broad community of clustering practitioners.
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Computers and Intractability: A Guide to the Theory of NP-Completeness
TL;DR: The second edition of a quarterly column as discussed by the authors provides a continuing update to the list of problems (NP-complete and harder) presented by M. R. Garey and myself in our book "Computers and Intractability: A Guide to the Theory of NP-Completeness,” W. H. Freeman & Co., San Francisco, 1979.
Journal ArticleDOI
Equation of state calculations by fast computing machines
TL;DR: In this article, a modified Monte Carlo integration over configuration space is used to investigate the properties of a two-dimensional rigid-sphere system with a set of interacting individual molecules, and the results are compared to free volume equations of state and a four-term virial coefficient expansion.
Book
The Design and Analysis of Computer Algorithms
Alfred V. Aho,John E. Hopcroft +1 more
TL;DR: This text introduces the basic data structures and programming techniques often used in efficient algorithms, and covers use of lists, push-down stacks, queues, trees, and graphs.
Journal ArticleDOI
An Effective Heuristic Algorithm for the Traveling-Salesman Problem
S. Lin,Brian W. Kernighan +1 more
TL;DR: This paper discusses a highly effective heuristic procedure for generating optimum and near-optimum solutions for the symmetric traveling-salesman problem based on a general approach to heuristics that is believed to have wide applicability in combinatorial optimization problems.