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Full-Text Articles in Physical Sciences and Mathematics

Structure-Property Maps And Optimal Inversion In Configurational Thermodynamics, Gus L. W. Hart, Björn Arnold, Alejandro Díaz Ortiz, Helmut Dosch Mar 2010

Structure-Property Maps And Optimal Inversion In Configurational Thermodynamics, Gus L. W. Hart, Björn Arnold, Alejandro Díaz Ortiz, Helmut Dosch

Faculty Publications

Cluster expansions of first-principles density-functional databases in multicomponent systems are now used as a routine tool for the prediction of zero- and finite-temperature physical properties. The ability of producing large databases of various degrees of accuracy, i.e., high-throughput calculations, makes pertinent the analysis of error propagation during the inversion process. This is a very demanding task as both data and numerical noise have to be treated on equal footing. We have addressed this problem by using an analysis that combines the variational and evolutionary approaches to cluster expansions. Simulated databases were constructed ex professo to sample the configurational space in …


Compressing Semi-Structured Text Using Hierarchical Phrase Identifications, Dan R. Olsen Jr., Craig G. Nevill-Manning, Ian H. Witten Apr 1996

Compressing Semi-Structured Text Using Hierarchical Phrase Identifications, Dan R. Olsen Jr., Craig G. Nevill-Manning, Ian H. Witten

Faculty Publications

The structure of this paper is as follows. We begin by identifying some characteristics of semi-structured text that have special relevance to data compression. We then give a brief account of a particular large textual database, and describe a compression scheme that exploits its structure. In addition to providing compression, the system gives some insight into the structure of the database. Finally we show how the hierarchical grammar can be generalized, first manually and then automatically, to yield further improvements in compression performance.