Multi-Objective Parameter Selection for Classifiers

Setting the free parameters of classifiers to different values can have a profound impact on their performance. For some methods, specialized tuning algorithms have been developed. These approaches mostly tune parameters according to a single criterion, such as the cross-validation error. However, it is sometimes desirable to obtain parameter values that optimize several concurrent - often conflicting - criteria. The TunePareto package provides a general and highly customizable framework to select optimal parameters for classifiers according to multiple objectives. Several strategies for sampling and optimizing parameters are supplied. The algorithm determines a set of Pareto-optimal parameter configurations and leaves the ultimate decision on the weighting of objectives to the researcher. Decision support is provided by novel visualization techniques

Analytical approximation of the exterior gravitational field of rotating neutron stars

It is known that B\"acklund transformations can be used to generate stationary axisymmetric solutions of Einstein's vacuum field equations with any number of constants. We will use this class of exact solutions to describe the exterior vacuum region of numerically calculated neutron stars. Therefore we study how an Ernst potential given on the rotation axis and containing an arbitrary number of constants can be used to determine the metric everywhere. Then we review two methods to determine those constants from a numerically calculated solution. Finally, we compare the metric and physical properties of our analytic solution with the numerical data and find excellent agreement even for a small number of parameters.Comment: 9 pages, 10 figures, 3 table

Collapse in the nonlocal nonlinear Schr\"odinger equation

We discuss spatial dynamics and collapse scenarios of localized waves governed by the nonlinear Schr\"{o}dinger equation with nonlocal nonlinearity. Firstly, we prove that for arbitrary nonsingular attractive nonlocal nonlinear interaction in arbitrary dimension collapse does not occur. Then we study in detail the effect of singular nonlocal kernels in arbitrary dimension using both, Lyapunoff's method and virial identities. We find that for for a one-dimensional case, i.e. for $n=1$, collapse cannot happen for nonlocal nonlinearity. On the other hand, for spatial dimension $n\geq2$ and singular kernel $\sim 1/r^\alpha$, no collapse takes place if $\alpha<2$, whereas collapse is possible if $\alpha\ge2$. Self-similar solutions allow us to find an expression for the critical distance (or time) at which collapse should occur in the particular case of $\sim 1/r^2$ kernels. Moreover, different evolution scenarios for the three dimensional physically relevant case of Bose Einstein condensate are studied numerically for both, the ground state and a higher order toroidal state with and without an additional local repulsive nonlinear interaction. In particular, we show that presence of an additional local repulsive term can prevent collapse in those cases

Technical Note: Intercomparison of ILAS-II version 2 and 1.4 trace species with MIPAS-B measurements

The Improved Limb Atmospheric Spectrometer (ILAS)-II sensor aboard the Japanese ADEOS-II satellite was launched into its sun-synchronous orbit on 14 December 2002 and performed solar occultation measurements of trace species, aerosols, temperature, and pressure in the polar stratosphere until 25 October 2003. Vertical trace gas profiles obtained with the balloon version of the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS-B) provide one of the sparse data sets for validating ILAS-II version 2 and 1.4 data. The MIPAS-B limb emission spectra were collected on 20 March 2003 over Kiruna (Sweden, 68&amp;deg; N) at virtually the same location that has been sounded by ILAS-II about 5.5 h prior to the sampling of MIPAS-B. The intercomparison of the new ILAS-II version 2 (Northern Hemispheric sunrise) data to MIPAS-B vertical trace gas profiles shows a good to excellent agreement within the combined error limits for the species O&lt;sub&gt;3&lt;/sub&gt;, N&lt;sub&gt;2&lt;/sub&gt;O, CH&lt;sub&gt;4&lt;/sub&gt;, H&lt;sub&gt;2&lt;/sub&gt;O (above 21 km), HNO&lt;sub&gt;3&lt;/sub&gt;, ClONO&lt;sub&gt;2&lt;/sub&gt;, and CFC-11 (CCl&lt;sub&gt;3&lt;/sub&gt;F) in the compared altitude range between 16 and 31 km such that these data appear to be very useful for scientific analysis. With regard to the previous version 1.4 ILAS-II data, significant improvements in the consistency with MIPAS-B are obvious especially for the species CH&lt;sub&gt;4&lt;/sub&gt; and H&lt;sub&gt;2&lt;/sub&gt;O, but also for O&lt;sub&gt;3&lt;/sub&gt;, HNO&lt;sub&gt;3&lt;/sub&gt;, ClONO&lt;sub&gt;2&lt;/sub&gt;, NO&lt;sub&gt;2&lt;/sub&gt;, and N&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;5&lt;/sub&gt;. However, comparing gases like NO&lt;sub&gt;2&lt;/sub&gt;, N&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;5&lt;/sub&gt;, and CFC-12 (CCl&lt;sub&gt;2&lt;/sub&gt;F&lt;sub&gt;2&lt;/sub&gt;) exhibits only poor agreement with MIPAS-B such that these species cannot be assumed to be validated at the present time

HCl and ClO in activated Arctic air; first retrieved vertical profiles from TELIS submillimetre limb spectra

The first profile retrieval results of the Terahertz and submillimeter Limb Sounder (TELIS) balloon instrument are presented. The spectra are recorded during a 13-h balloon flight on 24 January 2010 from Kiruna, Sweden. The TELIS instrument was mounted on the MIPAS-B2 gondola and shared this platform with the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) and the mini- Differential Optical Absorption Spectroscopy (mini-DOAS) instruments. The flight took place within the Arctic vortex at an altitude of ≈34 km in chlorine activated air, and both active (ClO) and inactive chlorine (HCl) were measured over an altitude range of respectively ≈16–32 km and ≈10– 32 km. In this altitude range, the increase of ClO concentration levels during sunrise has been recorded with a temporal resolution of one minute. During the daytime equilibrium, a maximum ClO level of 2.1±0.3 ppbv has been observed at an altitude of 23.5 km. This equilibrium profile is validated against the ClO profile by the satellite instrument Microwave Limb Sounder (MLS) aboard EOS Aura. HCl profiles have been determined from two different isotopes – H35Cl and H37Cl – and are also validated againstMLS. The precision of all profiles is well below 0.01 ppbv and the overall accuracy is therefore governed by systematic effects. The total uncertainty of these effects is estimated to be maximal 0.3 ppbv for ClO around its peak value at 23.5 km during the daytime equilibrium, and for HCl it ranges from 0.05 to 0.4 ppbv, depending on altitude. In both cases the main uncertainty stems from a largely unknown non-linear response in the detector

Validation and data characteristics of methane and nitrous oxide profiles observed by MIPAS and processed with Version 4.61 algorithm

The ENVISAT validation programme for the atmospheric instruments MIPAS, SCIAMACHY and GOMOS is based on a number of balloon-borne, aircraft, satellite and ground-based correlative measurements. In particular the activities of validation scientists were coordinated by ESA within the ENVISAT Stratospheric Aircraft and Balloon Campaign or ESABC. As part of a series of similar papers on other species [this issue] and in parallel to the contribution of the individual validation teams, the present paper provides a synthesis of comparisons performed between MIPAS CH4 and N2O profiles produced by the current ESA operational software (Instrument Processing Facility version 4.61 or IPF v4.61, full resolution MIPAS data covering the period 9 July 2002 to 26 March 2004) and correlative measurements obtained from balloon and aircraft experiments as well as from satellite sensors or from ground-based instruments. In the middle stratosphere, no significant bias is observed between MIPAS and correlative measurements, and MIPAS is providing a very consistent and global picture of the distribution of CH4 and N2O in this region. In average, the MIPAS CH4 values show a small positive bias in the lower stratosphere of about 5%. A similar situation is observed for N2O with a positive bias of 4%. In the lower stratosphere/upper troposphere (UT/LS) the individual used MIPAS data version 4.61 still exhibits some unphysical oscillations in individual CH4 and N2O profiles caused by the processing algorithm (with almost no regularization). Taking these problems into account, the MIPAS CH4 and N2O profiles are behaving as expected from the internal error estimation of IPF v4.61 and the estimated errors of the correlative measurements

Interaction of anticancer reduced Schiff base coumarin derivatives with human serum albumin investigated by fluorescence quenching and molecular modeling

The specific binding of five reduced Schiff base derived 7-amino-coumarin compounds with antitumor activity to human serum albumin, the principal binding protein of blood, was studied by fluorescence spectroscopy. Their conditional binding constants were computed and the reversible binding at the Sudlow’s site I was found to be strong (KD ~ 0.03-2.09 M). Based on the data albumin can provide a depot for the compounds and is responsible for their biodistribution and transport processes. The experimental data is complemented by protein– ligand docking calculations for two representatives which support the observations. The proton dissociation constants of the compounds were also determined by UV-Vis spectrophotometric and fluorometric titrations to obtain the actual charges and distribution of the species in the various protonation states at physiological pH