873 research outputs found

    Obligation Norm Identification in Agent Societies

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    Most works on norms have investigated how norms are regulated using institutional mechanisms. Very few works have focused on how an agent may infer the norms of a society without the norm being explicitly given to the agent. This paper describes a mechanism for identifying one type of norm, an obligation norm. The Obligation Norm Inference (ONI) algorithm described in this paper makes use of an association rule mining approach to identify obligation norms. Using agent based simulation of a virtual restaurant we demonstrate how an agent can identify the tipping norm. The experiments that we have conducted demonstrate that an agent in the system is able to add, remove and modify norms dynamically. An agent can also flexibly modify the parameters of the system based on whether it is successful in identifying a norm.Norms, Social Norms, Obligations, Norm Identification, Agent-Based Simulation, Simulation of Norms, Artificial Societies, Normative Multi-Agent Systems (NorMAS)

    The heat of atomization of sulfur trioxide, SO3_3 - a benchmark for computational thermochemistry

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    Calibration ab initio (direct coupled cluster) calculations including basis set extrapolation, relativistic effects, inner-shell correlation, and an anharmonic zero-point energy, predict the total atomization energy at 0 K of SO3_3 to be 335.96 (observed 335.92±\pm0.19) kcal/mol. Inner polarization functions make very large (40 kcal/mol with spdspd, 10 kcal/mol with spdfgspdfg basis sets) contributions to the SCF part of the binding energy. The molecule presents an unusual hurdle for less computationally intensive theoretical thermochemistry methods and is proposed as a benchmark for them. A slight modification of Weizmann-1 (W1) theory is proposed that appears to significantly improve performance for second-row compounds.Comment: Chem. Phys. Lett., in pres

    The ground-state spectroscopic constants of Be_2 revisited

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    Extensive ab initio calibration calculations combined with extrapolations towards the infinite-basis limit lead to a ground-state dissociation energy of Be_2, D_e=944 \pm 25 1/cm, substantially higher than the accepted experimental value, and confirming recent theoretical findings. Our best computed spectroscopic observables (expt. values in parameters) are G(1)-G(0)=223.7 (223.8), G(2)-G(1)=173.8 (169 \pm 3), G(3)-G(2)=125.4 (122 \pm 3), and B_0=0.6086 (0.609) 1/cm; revised spectroscopic constants are proposed. Multireference calculations based on a full valence CAS(4/8) reference suffer from an unbalanced description of angular correlation; for the utmost accuracy, a CAS(4/16) reference including the (3s,3p)(3s,3p) orbitals is required, while for less accurate work a CAS(4/4) reference is recommended. The quality of computed coupled cluster results depends crucially on the description of connected triple excitations; the CC5SD(T) method yields unusually good results because of an error compensation.Comment: Chem. Phys. Lett., in pres

    Heats of formation of perchloric acid, HClO4_4, and perchloric anhydride, Cl2_2O7_7. Probing the limits of W1 and W2 theory

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    The heats of formation of HClO4_4 and Cl2_2O7_7 have been determined to chemical accuracy for the first time by means of W1 and W2 theory. These molecules exhibit particularly severe degrees of inner polarization, and as such obtaining a basis-set limit SCF component to the total atomization energy becomes a challenge. (Adding high-exponent dd functions to a standard spdspd basis set has an effect on the order of 100 kcal/mol for Cl2_2O7_7.) Wilson's aug-cc-pV(n+d)Z basis sets represent a dramatic improvement over the standard aug-cc-pVnZ basis sets, while the aug-cc-pVnZ+2d1f sequence converges still more rapidly. Jensen's polarization consistent basis sets still require additional high-exponent dd functions: for smooth convergence we suggest the \{aug-pc1+3d,aug-pc2+2d,aug-pc3+d,aug-pc4\} sequence. The role of the tight dd functions is shown to be an improved description of the Cl (3d) Rydberg orbital, enhancing its ability to receive back-bonding from the oxygen lone pairs. In problematic cases like this (or indeed in general), a single SCF/aug-cc-pV6Z+2d1f calculation may be preferable over empirically motivated extrapolations. Our best estimate heats of formation are ΔHf,298[\Delta H^\circ_{f,298}[HClO4_4(g)]=0.6±]=-0.6\pm1 kcal/mol and ΔHf,298[\Delta H^\circ_{f,298}[Cl2_2O7_7(g)]=65.9±]=65.9\pm2 kcal/mol, the largest source of uncertainty being our inability to account for post-CCSD(T) correlation effects. While G2 and G3 theory have fairly large errors, G3X theory reproduces both values to within 2 kcal/mol.Comment: J. Mol. Struct. (THEOCHEM), in press (WATOC'05 special issue

    Telepresence and user-initiated control

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    To date, telepresence; defined as being virtually present at a remote, real location; is a research subject primarily of interest to robotics and aerospace industries. The pi-lot system and the study presented here aim to investigate whether telepresence can be achieved with an affordable and easy to use system. In our approach a Personal Digital Assistant (PDA) with a camera represents the remote self at the local site. The PDA is mounted to a pan and tilt unit which can be con-trolled from the remote location by simply pressing keys on the keyboard of a PC. In a pilot user study we can show, that (a) even this simple setup can be used as a telep-resence system, (b) the control of the field of view within the remote environment is important, and (c) some social presence properties are positively influenced by the user-initiated control

    RNA Viral Community in Human Feces: Prevalence of Plant Pathogenic Viruses

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    The human gut is known to be a reservoir of a wide variety of microbes, including viruses. Many RNA viruses are known to be associated with gastroenteritis; however, the enteric RNA viral community present in healthy humans has not been described. Here, we present a comparative metagenomic analysis of the RNA viruses found in three fecal samples from two healthy human individuals. For this study, uncultured viruses were concentrated by tangential flow filtration, and viral RNA was extracted and cloned into shotgun viral cDNA libraries for sequencing analysis. The vast majority of the 36,769 viral sequences obtained were similar to plant pathogenic RNA viruses. The most abundant fecal virus in this study was pepper mild mottle virus (PMMV), which was found in high concentrations—up to 10(9) virions per gram of dry weight fecal matter. PMMV was also detected in 12 (66.7%) of 18 fecal samples collected from healthy individuals on two continents, indicating that this plant virus is prevalent in the human population. A number of pepper-based foods tested positive for PMMV, suggesting dietary origins for this virus. Intriguingly, the fecal PMMV was infectious to host plants, suggesting that humans might act as a vehicle for the dissemination of certain plant viruses
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