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An adaptive pruning algorithm for the discrete L-curve criterion 总被引:1,自引:0,他引:1
Per Christian Hansen Toke Koldborg Jensen Giuseppe Rodriguez 《Journal of Computational and Applied Mathematics》2007
We describe a robust and adaptive implementation of the L-curve criterion. The algorithm locates the corner of a discrete L-curve which is a log–log plot of corresponding residual norms and solution norms of regularized solutions from a method with a discrete regularization parameter (such as truncated SVD or regularizing CG iterations). Our algorithm needs no predefined parameters, and in order to capture the global features of the curve in an adaptive fashion, we use a sequence of pruned L-curves that correspond to considering the curves at different scales. We compare our new algorithm to existing algorithms and demonstrate its robustness by numerical examples. 相似文献
14.
J rgen Rosenqvist Kristina Axe Staffan Sj berg Per Persson 《Colloids and surfaces. A, Physicochemical and engineering aspects》2003,220(1-3):91-104
The adsorption of the dicarboxylates o-phthalate, maleate, fumarate, malonate, and oxalate (representing ligands with the general composition −O2C---Cn---CO2−; n=0, 1, or 2) on gibbsite were studied by means of quantitative batch adsorption experiments and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy. The interpretations of ATR-FTIR spectra were aided by comparison with IR spectra of solution species and by results from theoretical frequency calculations. The main objectives of the study were to identify the molecular level bonding mechanisms of the dicarboxylates to gibbsite, and to investigate how these were influenced by the composition and structure of the ligands. Carboxylates with n=2 formed predominantly outer sphere complexes, whereas the importance of inner sphere complexes progressively increased for n=1 and 0. The inner sphere structures were identified as mononuclear chelates with one oxygen from each carboxylate group bonded to Al(III) at the surface. This showed the importance of chelate ring structure for the formation of inner sphere surface complexes, with stabilities of the complexes increasing in the order seven-membered ring less than six-membered ring less than five-membered ring. For ligands with n=2 only small variations in surface speciation were observed as a function of steric factors; irrespective of the relative positions of the carboxylate groups and bulkiness of the ligands outer sphere bonding is the dominating adsorption mode. Adsorption experiments were also conducted with gibbsite particles exhibiting differences in shape and surface roughness. These experiments showed that inner sphere complexes were favored on the less well-developed and more irregular gibbsite particles. 相似文献
15.
Per Wiklund 《Tetrahedron letters》2004,45(5):969-972
The O-nucleophilicity of basic anthranilic acid salts was documented, analyzed, and utilized in synthesis. Specifically substitutions leading to esters instead of secondary amines, and formation of anthranilic acid anhydrides were studied. 相似文献
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17.
The Huber criterion for data fitting is a combination of thel
1 and thel
2 criteria which is robust in the sense that the influence of wild data points can be reduced. We present a trust region and a Marquardt algorithm for Huber estimation in the case where the functions used in the fit are non-linear. It is demonstrated that the algorithms converge under the usual conditions. 相似文献
18.
L. Käubler W. Enghardt H. Prade P. Carlé L. O. Norlin K. -G. Rensfelt U. Rosengård 《Zeitschrift für Physik A Hadrons and Nuclei》1988,329(2):143-150
Using the reaction138Ba(α,2n)140Ce the magnetic moment of the 10 1 + isomer atE x =3714.7 keV in theN=82 nucleus140Ce has been determined by means of the TDPAD method toμ=+10.3(4)μ N . Measuredg-factors in140Ce are compared to calculations within the shell model with configuration mixing. For the 10 1 + isomer in140Ce the four proton configuration π(1g 7 2/2 ,2d 5 2/2 ) has been found to be dominant. From theg-factor measurement strong contributions of multiparticle excitations to thegp2d 3/2,π3s 1 2 or π1h 11 2 shells and admixtures of neutron excitations to the wave function of the 10 1 + state could be excluded. The strongE1γ-branch of the deexcitation of the 10 1 + isomer in140Ce can be explained by means of small admixtures of configurations which contain the outer subshell excitationsπ2f 7/2 andπ1h 9/2. On this basisE1 transitions experimentally observed in theN=82 nuclei140Ce,141Pr and145Eu may be understood. 相似文献
19.
Surface composition of spray-dried milk protein-stabilised emulsions in relation to pre-heat treatment of proteins 总被引:2,自引:0,他引:2
Millqvist-Fureby A Elofsson U Bergenståhl B 《Colloids and surfaces. B, Biointerfaces》2001,21(1-3):47-58
Several important technical properties of spray-dried food powders depend on particle-liquid interactions (e.g. wettability, dispersability) and particle-particle interactions (e.g. flowability). It can be assumed that the chemical composition of the surface layer of the particles to a large extent determine these properties. The present study has been aimed to investigate the relation between the surface composition of spray-dried milk protein-stabilised emulsions and pre-heat treatment of the proteins. Solutions of WPC were heat-treated at low (60-90 degrees C) and high (140 degrees C) temperature and the degree of denaturation was determined, prior to the preparation of emulsions with rapeseed oil. The surface composition of the dry powders were established by using ESCA (electron spectroscopy of chemical analysis). The emulsions were characterised by droplet size distribution before spray drying and after dissolution of the powders. Also free fat extractions and estimations of wettability (dissolution rates) were performed. The powder surface coverage of protein decreased with increasing degree of protein denaturation before the emulsification, whereas the emulsion droplet size increased both before spray drying and after reconstitution of powders. The free fat extraction as well as the dissolution rate, whereof the latter decreased with increasing surface fat coverage, correlated well with the fat coverage of the powder surface. 相似文献
20.
Thomas P J Linsinger Alexander Bernreuther Philippe Corbisier Marta Dabrio Håkan Emteborg Andrea Held Andrée Lamberty Gaida Lapitajs Marina Ricci Gert Roebben Stefanie Trapmann Franz Ulberth Hendrik Emons 《Accreditation and quality assurance》2007,12(3-4):167-174
The potential approaches for third-party assessment of reference material producers are revisited and the activities of the
Reference Materials (RM) Unit of the Institute for Reference Materials and Measurements (IRMM) to obtain accreditation to
ISO Guide 34 and ISO 17025 are described. Accreditation was related to the Unit as all matrix RM activities of the institute
are concentrated there. A management system was established that allows sufficient flexibility to be applicable to a wide
range of RMs while being precise enough to ensure compliance with ISO Guides 30, 31 and especially 34 and 35. Accreditation
was achieved in 2004 with independent scopes for testing and RM production and was confirmed and extended in 2005. The key
aspects of the RM Unit's management system for RM production are presented.
Presented at BERM-10, April 2006, Charleston, SC, USA 相似文献