Information-theoretic analysis

P erez-Freire, L., Comesa na, P., P erez-Gonz alez, F. (2005). Information-theoretic analysis of security in side-informed data hiding. Proceeding of the yth Information Hiding Workshop. 

P. Moulin and J. A. O Sullivan, Information-Theoretic Analysis of ItrformationHiding. Preprint, September 1999. 

Shin, S. J. (1991). An information-theoretic analysis of valid reasoning with Venn diagrams. In J. Barwise (ed.), Situation theory and its applications, part 2. New York Cambridge University Press. 

The central feature of the information-theoretic analysis is that it proposes a quantitative measure of the surprisal of a particular outcome, for example, the observation that in reaction (20) 42% of the HCl product is formed in v = 3. To do this, it is first necessary to establish a datum line, i.e. to d ne what result would cause zero surprise. Then an equation must be formulated which determines the deviation of the actual result from the prior expectation. 

Figure 2 Information-theoretic analysis of detailed rate data foe the reaction O + CS CO( ) + S. Panel (a) compares P(f ), the observed distributUm over CO vibrational states from the exothermic reaction, > with P°(f/) the ittstrStution expected on prior grounds. Panel (b) shows the surprisal associated with these CO(<0 concentrations as a function of f. In panel (c), the partially detailed rate constants for the endothermic reaction from selected CO v rational levels, calculated from detailed balance, are plotted against e >jhTfor T — 300 K...

In the light of the discussion of microscopic reversibility that was given earlier in this section, it should occasion no surprise that the information-theoretic analysis can be applied to the selective energy requirements for reaction as well as to the specificity of energy disposal. However, the results that are availaUe for this treatment are largely derived either from data obtained for exothermic reactions or firom quasiclassicd trajectory calculations, rather than from direct experimental measurements. 

Naruse, M., Inoue, T., Hori, H. (2007). Analysis and Synthesis of Hierarchy in Optical Near-Field Interactions at the Nanoscale Based on Angular Sp>ectrum, Japanese Journal ( Applied Physics, Vol. 46, pp. 6095-6103, 2007 Naruse, M., Hori, H., Kobayashi, K., Ishikawa, M., Leibnitz, K., Murata, M., Tate, N., Ohtsu, M. (2009). Information theoretical analysis of hierarchical nano-optical systems in the subwavelength regime. Journal of ihe Optical Society of America B, Vol. 26, pp. 1772-1779,2009... 

Bonchev, 2006] D. Bonchev. Periodicity of the chemical elements and nuclides An information-theoretic analysis, in D.H. Rouvray, R.B. King, (eds.). The Mathematics of the Periodic Table, Nova Science Publishers, New York, 2006, p. 161-188. 

This DSE analysis of aqueous solubility confirms that information theoretic analysis can be used to successfully select features for modeling of physicochemical properties. A genetic algorithm implementation of the... 

R. B. Bernstein and R. D. Levine, Information-theoretic analysis of the kinetic intramolecular isotope effect for the F 4- HD reaction, J. Chem. Phys. 61 4926 (1974). 

Figure 1.2. Information-theoretic analysis of the effect of vibrational excitation on the endothermic reaction I + HCI(t 0 -> HI + Cl. The lower panel compares the calculated rate constants with the prior values...

An assumed model potential surface and the energy disposal observations can be related via comparison of classical (or quasiclassical) trajectory results to the experimentally measured product state distributions. In the latter part of this review the energy disposal calculated from model potential surfaces designed to simulate a given, well-studied reaction is discussed and compared to the experimental distributions. The classical or quasiclassical trajectory calculations become much more difficult for cases having more than three or four atoms, and the use of approximate models, empirical analogies, and chemical intuition becomes necessary. For such situations the information theoretic analysis developed by Levine and Bernstein is particularly valuable and will be used in this review. 

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