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31.
A polyhedral branch-and-cut approach to global optimization   总被引:4,自引:0,他引:4  
A variety of nonlinear, including semidefinite, relaxations have been developed in recent years for nonconvex optimization problems. Their potential can be realized only if they can be solved with sufficient speed and reliability. Unfortunately, state-of-the-art nonlinear programming codes are significantly slower and numerically unstable compared to linear programming software.In this paper, we facilitate the reliable use of nonlinear convex relaxations in global optimization via a polyhedral branch-and-cut approach. Our algorithm exploits convexity, either identified automatically or supplied through a suitable modeling language construct, in order to generate polyhedral cutting planes and relaxations for multivariate nonconvex problems. We prove that, if the convexity of a univariate or multivariate function is apparent by decomposing it into convex subexpressions, our relaxation constructor automatically exploits this convexity in a manner that is much superior to developing polyhedral outer approximators for the original function. The convexity of functional expressions that are composed to form nonconvex expressions is also automatically exploited.Root-node relaxations are computed for 87 problems from globallib and minlplib, and detailed computational results are presented for globally solving 26 of these problems with BARON 7.2, which implements the proposed techniques. The use of cutting planes for these problems reduces root-node relaxation gaps by up to 100% and expedites the solution process, often by several orders of magnitude.The research was supported in part by ExxonMobil Upstream Research Company, the National Science Foundation under awards DMII 0115166 and CTS 0124751, and the Joint NSF/NIGMS Initiative to Support Research in the Area of Mathematical Biology under NIH award GM072023.  相似文献   
32.
 We define a convex extension of a lower semi-continuous function to be a convex function that is identical to the given function over a pre-specified subset of its domain. Convex extensions are not necessarily constructible or unique. We identify conditions under which a convex extension can be constructed. When multiple convex extensions exist, we characterize the tightest convex extension in a well-defined sense. Using the notion of a generating set, we establish conditions under which the tightest convex extension is the convex envelope. Then, we employ convex extensions to develop a constructive technique for deriving convex envelopes of nonlinear functions. Finally, using the theory of convex extensions we characterize the precise gaps exhibited by various underestimators of $x/y$ over a rectangle and prove that the extensions theory provides convex relaxations that are much tighter than the relaxation provided by the classical outer-linearization of bilinear terms. Received: December 2000 / Accepted: May 2002 Published online: September 5, 2002 RID="*" ID="*" The research was funded in part by a Computational Science and Engineering Fellowship to M.T., and NSF CAREER award (DMI 95-02722) and NSF/Lucent Technologies Industrial Ecology Fellowship (NSF award BES 98-73586) to N.V.S. Key words. convex hulls and envelopes – multilinear functions – disjunctive programming – global optimization  相似文献   
33.
    
Polarized reflectivity spectra of PbMoO4 crystals have been measured using synchrotron radiation up to 20 eV. The optical constants for the crystallographic axes are derived by using a Kramers–Kronig analysis. It is found that the exciton band at 3.6 eV shows a doublet structure with distinct dichroism. X‐ray photoemission spectroscopy (XPS) and the calculation of the electronic structure by a discrete variational method are also carried out. The calculation shows that the valence band and the conduction band are mainly composed of the O 2p and Mo 4d states, respectively, and the Pb state contributes appreciably to the top of the valence band and the bottom of the conduction band. The valence‐band XPS spectrum of PbMoO4 is compared with that of PbWO4, which reveals a remarkable difference between them. This difference reflects different magnitudes of hybridization of Mo 4d or W 5d state to the valence band. The exciton transition is explained in terms of the cationic Pb 6s → 6p excitation model taking into account the crystal‐field splitting and the spin–orbit interaction of Pb 6p state. From a comparison of the doublet structure of the exciton band of PbMoO4 and PbWO4, it is suggested that the electron–hole exchange interaction plays an important role for the exciton transitions in both materials.  相似文献   
34.
    
We show that the sensitivity to disorder of certain physical properties of periodic media depends on whether the disorder is truly random or not. This allows to utilize periodic media for testing sequences of random numbers and to quantify their departure from true randomness via simple transmission and/or reflection data analysis. This physics-based model shows promises for device applications to test random data.  相似文献   
35.
36.
Kalyani  Tyagi  Mohit  Rawat  Sheetal  Kumar  G Anil 《Pramana》2021,95(4):1-19
Pramana - This work concerns the modelling of the dynamics of polarisation of a centrosymmetric material subjected to an amplitude-modulated excitation (AME). The dynamic equation obtained for the...  相似文献   
37.
Synthesis of some novel 3-alkylated indoles via an uncatalyzed Michael addition of indoles using three components in one-pot solvent-free conditions is reported. The mechanism was established by performing the reaction in two steps. The reaction was also studied in different solvents and an important solvent effect was noticed.  相似文献   
38.
    
Electrolyte chemistry is critical for any energy-storage device. Low-cost and sustainable rechargeable batteries based on organic redox-active materials are of great interest to tackle resource and performance limitations of current batteries with metal-based active materials. Organic active materials can be used not only as solid electrodes in the classic lithium-ion battery (LIB) setup, but also as redox fluids in redox-flow batteries (RFBs). Accordingly, they have suitability for mobile and stationary applications, respectively. Herein, different types of electrolytes, recent advances for designing better performing electrolytes, and remaining scientific challenges are discussed and summarized. Due to different configurations and requirements between LIBs and RFBs, the similarities and differences for choosing suitable electrolytes are discussed. Both general and specific strategies for promoting the utilization of organic active materials are covered.  相似文献   
39.
    
Vitamin D’s role in combating the SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2), the virus causing COVID-19, has been established in unveiling viable inhibitors of COVID-19. The current study investigated the role of pre and pro-vitamin D bioactives from edible mushrooms against Mpro and PLpro proteases of SARS-CoV-2 by computational experiments. The bioactives of mushrooms, specifically ergosterol (provitamin D2), 7-dehydrocholesterol (provitamin-D3), 22,23-dihydroergocalciferol (provitamin-D4), cholecalciferol (vitamin-D3), and ergocalciferol (vitamin D2) were screened against Mpro and PLpro. Molecular docking analyses of the generated bioactive protease complexes unravelled the differential docking energies, which ranged from −7.5 kcal/mol to −4.5 kcal/mol. Ergosterol exhibited the lowest binding energy (−7.5 kcal/mol) against Mpro and PLpro (−5.9 kcal/mol). The Molecular Mechanics Poisson–Boltzmann Surface Area (MMPBSA) and MD simulation analyses indicated that the generated complexes were stable, thus affirming the putative binding of the bioactives to viral proteases. Considering the pivotal role of vitamin D bioactives, their direct interactions against SARS-CoV-2 proteases highlight the promising role of bioactives present in mushrooms as potent nutraceuticals against COVID-19.  相似文献   
40.
    
He  Taotao  Tawarmalani  Mohit 《Mathematical Programming》2021,190(1-2):427-466
Mathematical Programming - In this paper, we devise new relaxations for composite functions, which improve the prevalent factorable relaxations, without introducing additional variables, by...  相似文献   
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