Design,implementation, and evaluation of learning algorithms for dynamic real-time network monitoring

Network monitoring is necessary so as to ensure high reliability and availability in telecom networks. One of the main challenges posed by state-of-the-art monitoring tools is the creation of network baselines. Such baselines include thresholds that can be used to determine whether monitored values (with a given context, e.g., time) represent normal network operation or not. The size and complexity of current (and future) networks make it infeasible to manually determine and set baselines for each network operator and metric, let alone adapting the thresholds to changes in network conditions. This leads to the use of default baselines and/or setting baselines only once and never changing them throughout the lifetime of network elements. This does not only cause inefficient operation but could have implications for network reliability and availability. In this paper, we present the design, implementation, and evaluation of DARN: a collection of analytics and machine learning-based algorithms aimed at ensuring that network baselines are automatically adapted to different metric evolution. DARN has been comprehensively evaluated on a deployment with real traffic to confirm accuracy of generated baselines, a 22% improvement in accuracy due to baseline adaptation and a 72% reduction in false alarms.     

Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate

We have calculated the thermochemical parameters for the reactions H(2)SO(4) + H(2)O <--> H(2)SO(4).H(2)O and H(2)SO(4) + NH(3) <--> H(2)SO(4).NH(3) using the B3LYP and PW91 functionals, MP2 perturbation theory and four different basis sets. Different methods and basis sets yield very different results with respect to, for example, the reaction free energies. A large part, but not all, of these differences are caused by basis set superposition error (BSSE), which is on the order of 1-3 kcal mol(-1) for most method/basis set combinations used in previous studies. Complete basis set extrapolation (CBS) calculations using the cc-pV(X+d)Z and aug-cc-pV(X+d)Z basis sets (with X = D, T, Q) at the B3LYP level indicate that if BSSE errors of less than 0.2 kcal mol(-1) are desired in uncorrected calculations, basis sets of at least aug-cc-pV(T+d)Z quality should be used. The use of additional augmented basis functions is also shown to be important, as the BSSE error is significant for the nonaugmented basis sets even at the quadruple-zeta level. The effect of anharmonic corrections to the zero-point energies and thermal contributions to the free energy are shown to be around 0.4 kcal mol(-1) for the H(2)SO(4).H(2)O cluster at 298 K. Single-point CCSD(T) calculations for the H(2)SO(4).H(2)O cluster also indicate that B3LYP and MP2 calculations reproduce the CCSD(T) energies well, whereas the PW91 results are significantly overbinding. However, basis-set limit extrapolations at the CCSD(T) level indicate that the B3LYP binding energies are too low by ca. 1-2 kcal/mol. This probably explains the difference of about 2 kcal mol(-1) for the free energy of the H(2)SO(4) + H(2)O <--> H(2)SO(4).H(2)O reaction between the counterpoise-corrected B3LYP calculations with large basis sets and the diffusion-based experimental values of S. M. Ball, D. R. Hanson, F. L Eisele and P. H. McMurry (J. Phys. Chem. A. 2000, 104, 1715). Topological analysis of the electronic charge density based on the quantum theory of atoms in molecules (QTAIM) shows that different method/basis set combinations lead to qualitatively different bonding patterns for the H(2)SO(4).NH(3) cluster. Using QTAIM analysis, we have also defined a proton transfer degree parameter which may be useful in further studies.     

Insertion of noble gas atoms into cyanoacetylene: an ab initio and matrix isolation study

A computational and experimental matrix isolation study of insertion of noble gas atoms into cyanoacetylene (HCCCN) is presented. Twelve novel noble gas insertion compounds are found to be kinetically stable at the MP2 level of theory, including four molecules with argon. The first group of the computationally studied molecules belongs to noble gas hydrides (HNgCCCN and HNgCCNC), and we found their stability for Ng = Ar, Kr, and Xe. The HNgCCCN compounds with Kr and Xe have similar stability to that of previously reported HKrCN and HXeCN. The HArCCCN molecule seems to have a weaker H-Ar bond than in the previously identified HArF molecule. The HNgCCNC molecules are less stable than the HNgCCCN isomers for all noble gas atoms. The second group of the computational insertion compounds, HCCNgCN and HCCNgNC, are of a different type, and they also are kinetically stable for Ng = Ar, Kr, and Xe. Our photolysis and annealing experiments with low-temperature cyanoacetylene/Ng (Ng = Ar, Kr, and Xe) matrixes evidence the formation of two noble gas hydrides for Ng = Kr and Xe, with the strongest IR absorption bands at 1492.1 and 1624.5 cm(-1), and two additional absorption modes for each species are found. The computational spectra of HKrCCCN and HXeCCCN fit most closely the experimental data, which is the basis for our assignment. The obtained species absorb at quite similar frequencies as the known HKrCN and HXeCN molecules, which is in agreement with the theoretical predictions. No strong candidates for an Ar compound are observed in the IR absorption spectra. As an important side product of this work, the data obtained in long-term decay of KrHKr+ cations suggest a tentative assignment for the CCCN radical.     

Comparison between the electrical properties of atomic layer deposited thin ZrO2 films processed from cyclopentadienyl precursors

Electrical characterization of zirconium oxide (ZrO₂) based metal-oxide-semiconductor (MOS) structures has been carried out. ZrO₂ films have been atomic layer deposited (ALD) by using novel cyclopentadienyl-based precursors, which have recently revealed themselves as very adequate in terms of thermal stability and high permittivity of the dielectrics deposited. Our results demonstrate good quality of the films, especially when mixed alkylamido-cyclopentadienyl precursors are used on SiO₂/Si substrates. Conduction mechanisms in these MIS capacitors were studied, with moderately or highly-doped silicon used as substrate.     

On finite loops with nilpotent inner mapping groups

We shall show how the nilpotency class of a finite loop Q is determined by the properties of a nilpotent inner mapping group. We also show that a classical result by Baer on the structure of abelian finite capable groups holds for Moufang loops of odd order.     

Formation of HXeO in a xenon matrix: indirect evidence of production, trapping, and mobility of XeO (1(1)Sigma+) in solid Xe

IR spectroscopy, laser induced fluorescence (LIF), and thermoluminescence (TL) measurements have been combined to monitor trapping, thermal mobility, and reactions of oxygen atoms in solid xenon. HXeO and O(3) have been used as IR active species that probe the reactions of oxygen atoms. N(2)O and H(2)O have been used as precursors for oxygen atoms by photolysis at 193 nm. Upon annealing of matrices after photolysis, ozone forms at two different temperatures: at 18-24 K from close O ...O(2) pairs and at approximately 27 K due to global mobility of oxygen atoms. HXeO forms at approximately 30 K reliably at higher temperature than ozone. Both LIF and TL show activation of oxygen atoms around 30 K. Irradiation at 240 nm after the photolysis at 193 nm depletes the oxygen atom emission at 750 nm and reduces the amount of HXeO generated in subsequent annealing. Part of the 750 nm emission can be regenerated by 266 nm and this process increases the yield of HXeO in annealing as well. Thus, we connect oxygen atoms emitting at 750 nm with annealing-induced formation of HXeO radicals. Ab initio calculations at the CCSD(T)/cc-pV5Z level show that XeO (1(1)Sigma(+)) is much more deeply bound [D(e) = 1.62 eV for XeO --> Xe+O((1)D)] than previous calculations have predicted. Taking into account the interactions with the medium in an approximate way, it is estimated that XeO (1(1)Sigma(+)) has a similar energy in solid xenon as compared with interstitially trapped O((3)P) suggesting that both possibly coexist in a low temperature solid. Taking into account the computational results and the behavior of HXeO and O(3) in annealing and irradiations, it is suggested that HXeO may be formed from singlet oxygen atoms which are trapped in a solid as XeO (1(1)Sigma(+)).     

XPS and electroluminescence studies on SrS1−xSex and ZnS1−xSex thin films deposited by atomic layer deposition technique

SrS_1−xSe_x and ZnS_1−xSe_x thin films were deposited by the atomic layer deposition (ALD) technique using elemental selenium as the Se source, thus avoiding use of H₂Se or organometallic selenium compounds. X-ray diffraction (XRD) analysis showed that the films were solid solutions and X-ray photoelectron spectroscopy (XPS) data showed that the surface of both ZnS_1−xSe_x and SrS_1−xSe_x were covered with an oxide and carbon-containing contaminants from exposure to air. The oxidation of SrS_1−xSe_x extended into the film and peak shifts from sulfate were found on the surface. Luminance measurements showed that emission intensity of the ZnS_1−xSe_x:Mn alternating current thin film electroluminescent (ACTFEL) devices at fixed voltage was almost the same as that of the ZnS:Mn device, while emission intensity of the SrS_1−xSe_x:Ce devices decreased markedly as compared to the SrS:Ce device. Emission colors of the devices were altered only slightly due to selenium addition.     

Copolymerization of vinylcyclohexane with ethene and propene using zirconocene catalysts

Vinylcyclohexane (VCH) was copolymerized with ethene and propene using methylaluminoxane‐activated metallocene catalysts. The catalyst precursor for the ethene copolymerization was rac‐ethylenebis(indenyl)ZrCl₂ ( 1 ). Propene copolymerizations were further studied with C_s‐symmetric isopropylidene(cyclopentadienyl)(fluorenyl)ZrCl₂ ( 2 ), C₁‐symmetric ethylene(1‐indenyl‐2‐phenyl‐2‐fluorenyl)ZrCl₂ ( 3 ), and “meso”‐dimethylsilyl[3‐benzylindenyl)(2‐methylbenz[e]indenyl)]ZrCl₂ ( 4 ). Catalyst 1 produced a random ethene–VCH copolymer with very high activity and moderate VCH incorporation. The highest comonomer content in the copolymer was 3.5 mol %. Catalysts 1 and 4 produced poly(propene‐co‐vinylcyclohexane) with moderate to good activities [up to 4900 and 15,400 kg of polymer/(mol of catalyst × h) for 1 and 4 , respectively] under similar reaction conditions but with fairly low comonomer contents (up to 1.0 and 2.0% for 1 and 4 , respectively). Catalysts 2 and 3 , both bearing a fluorenyl moiety, gave propene–VCH copolymers with only negligible amounts of the comonomer. The homopolymerization of VCH was performed with 1 as a reference, and low‐molar‐mass isotactic polyvinylcyclohexane with a low activity was obtained. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 6569–6574, 2006     

On the summands of near-rings with ATM

We say that a near-ring (N,+,·) has an almost trivial multiplication (ATM) if the product of two elements belongs to the intersection of the additive cyclic groups generated by these two elements. We show that every finite near-ring with ATM can be decomposed to a direct sum where the summands are either near-rings defined on cyclic groups or near-rings whose minimal ideals are zero near-rings. Finally, we show how to construct these summands on cyclic groups.     

Improvement of UV-moulding accuracy by heat and solvent assisted process

A micro-optics replication process with UV-curable liquid pre-polymers is considered. Filling of the master structure is improved by controlling the viscosity of the pre-polymer by heat during the process. A novel process step, solvent-assisted filling, is introduced to avoid the harmful effect of the residual trapped air; a pyramidal retro-reflector structure with the face width of 400 μm is used as an example. Complete filling can be achieved without vacuum assisted replication or without application of compression force in the mould. Material studies showed no signs of chemical changes, solvent inclusion in the replicated structure, or a change of the optical properties of the material during the process. The replication fidelity is compared with conventional UV-moulding and commercial UV-NIL replication. The new heat and solvent assisted replication technique allows the use of high-viscosity pre-polymers with suitable material properties if the process temperature window is optimized.