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21.
Vesa Ojalehto Kaisa Miettinen Timo Laukkanen 《Computational Optimization and Applications》2014,58(3):757-779
Interactive multiobjective optimization methods have provided promising results in the literature but still their implementations are rare. Here we introduce a core structure of interactive methods to enable their convenient implementation. We also demonstrate how this core structure can be applied when implementing an interactive method using a modeling environment. Many modeling environments contain tools for single objective optimization but not for interactive multiobjective optimization. Furthermore, as a concrete example, we present GAMS-NIMBUS Tool which is an implementation of the classification-based NIMBUS method for the GAMS modeling environment. So far, interactive methods have not been available in the GAMS environment, but with the GAMS-NIMBUS Tool we open up the possibility of solving multiobjective optimization problems modeled in the GAMS modeling environment. Finally, we give some examples of the benefits of applying an interactive method by using the GAMS-NIMBUS Tool for solving multiobjective optimization problems modeled in the GAMS environment. 相似文献
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Gianluca Destro Kaisa Horkka Olivier Loreau David‐Alexandre Buisson Lee Kingston Antonio Del Vecchio Magnus Schou Charles S. Elmore Frdric Taran Thibault Cantat Davide Audisio 《Angewandte Chemie (International ed. in English)》2020,59(32):13490-13495
A transition‐metal‐free carbon isotope exchange procedure on phenyl acetic acids is described. Utilizing the universal precursor CO2, this protocol allows the carbon isotope to be inserted into the carboxylic acid position, with no need of precursor synthesis. This procedure enabled the labeling of 15 pharmaceuticals and was compatible with carbon isotopes [14C] and [13C]. A proof of concept with [11C] was also obtained with low molar activity valuable for distribution studies. 相似文献
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Synchronous approach in interactive multiobjective optimization 总被引:8,自引:0,他引:8
We introduce a new approach in the methodology development for interactive multiobjective optimization. The presentation is given in the context of the interactive NIMBUS method, where the solution process is based on the classification of objective functions. The idea is to formulate several scalarizing functions, all using the same preference information of the decision maker. Thus, opposed to fixing one scalarizing function (as is done in most methods), we utilize several scalarizing functions in a synchronous way. This means that we as method developers do not make the choice between different scalarizing functions but calculate the results of different scalarizing functions and leave the final decision to the expert, the decision maker. Simultaneously, (s)he obtains a better view of the solutions corresponding to her/his preferences expressed once during each iteration.In this paper, we describe a synchronous variant of the NIMBUS method. In addition, we introduce a new version of its implementation WWW-NIMBUS operating on the Internet. WWW-NIMBUS is a software system capable of solving even computationally demanding nonlinear problems. The new version of WWW-NIMBUS can handle versatile types of multiobjective optimization problems and includes new desirable features increasing its user-friendliness. 相似文献
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Michiko Watanabe Midori Hitomi Kathy van der Wee Florence Rothenberg Steven A Fisher Robert Zucker Kathy K H Svoboda Edie C Goldsmith Kaisa M Heiskanen Anna-Liisa Nieminen 《Microscopy and microanalysis》2002,8(5):375-391
Programmed cell death or apoptosis occurs in many tissues during normal development and in the normal homeostasis of adult tissues. Apoptosis also plays a significant role in abnormal development and disease. Increased interest in apoptosis and cell death in general has resulted in the development of new techniques and the revival of old ones. Each assay has its advantages and disadvantages that can render it appropriate and useful for one application, but inappropriate or difficult to use in another. Understanding the strengths and limitations of the assays would allow investigators to select the best methods for their needs. 相似文献
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Kaisa Raninen Ringa Nenonen Elina Jrvel-Reijonen Kaisa Poutanen Hannu Mykknen Olavi Raatikainen 《Molecules (Basel, Switzerland)》2021,26(9)
Exhaled breath is a potential noninvasive matrix to give new information about metabolic effects of diets. In this pilot study, non-targeted analysis of exhaled breath volatile organic compounds (VOCs) was made by comprehensive two-dimensional gas chromatography–mass spectrometry (GCxGC-MS) to explore compounds relating to whole grain (WG) diets. Nine healthy subjects participated in the dietary intervention with parallel crossover design, consisting of two high-fiber diets containing whole grain rye bread (WGR) or whole grain wheat bread (WGW) and 1-week control diets with refined wheat bread (WW) before both diet periods. Large interindividual differences were detected in the VOC composition. About 260 VOCs were detected from exhaled breath samples, in which 40 of the compounds were present in more than half of the samples. Various derivatives of benzoic acid and phenolic compounds, as well as some furanones existed in exhaled breath samples only after the WG diets, making them interesting compounds to study further. 相似文献
26.
Kaisa Helttunen Riia Annala Aku Suhonen Juho Iloniemi Elina Kalenius Gemma Aragay Pablo Ballester Heikki M. Tuononen Maija Nissinen 《化学:亚洲杂志》2019,14(5):647-654
The anion‐binding properties of three closely related oligoamide foldamers were studied using NMR spectroscopy, isothermal titration calorimetry and mass spectrometry, as well as DFT calculations. The 1H NMR spectra of the foldamers in [D6]acetone solution revealed partial preorganization by intramolecular hydrogen bonding, which creates a suitable cavity for anion binding. The limited size of the cavity, however, enabled efficient binding by the inner amide protons only for the chloride anion resulting in the formation of a thermodynamically stable 1:1 complex. All 1:1 chloride complexes displayed a significant favourable contribution of the entropy term. Most likely, this is due to the release of ordered solvent molecules solvating the free foldamer and the anion to the bulk solution upon complex formation. The introduction of electron‐withdrawing substituents in foldamers 2 and 3 had only a slight effect on the thermodynamic constants for chloride binding compared to the parent receptor. Remarkably, the binding of chloride to foldamer 3 not only produced the expected 1:1 complex but also open aggregates with 1:2 (host:anion) stoichiometry. 相似文献
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Kaisa Karisalmi 《Tetrahedron letters》2004,45(44):8245-8248
A highly diastereoselective synthesis of the title fragment of calyculin C has been developed based on an internal asymmetric induction between a chiral aldehyde and Z-crotyl trifluorosilane. 相似文献
30.
Bundle-based descent method for nonsmooth multiobjective DC optimization with inequality constraints
Multiobjective DC optimization problems arise naturally, for example, in data classification and cluster analysis playing a crucial role in data mining. In this paper, we propose a new multiobjective double bundle method designed for nonsmooth multiobjective optimization problems having objective and constraint functions which can be presented as a difference of two convex (DC) functions. The method is of the descent type and it generalizes the ideas of the double bundle method for multiobjective and constrained problems. We utilize the special cutting plane model angled for the DC improvement function such that the convex and the concave behaviour of the function is captured. The method is proved to be finitely convergent to a weakly Pareto stationary point under mild assumptions. Finally, we consider some numerical experiments and compare the solutions produced by our method with the method designed for general nonconvex multiobjective problems. This is done in order to validate the usage of the method aimed specially for DC objectives instead of a general nonconvex method. 相似文献