A global optimization approach for Lennard‐Jones microclusters

1992 ◽  
Vol 97 (10) ◽  
pp. 7667-7678 ◽  
Author(s):  
Costas D. Maranas ◽  
Christodoulos A. Floudas
Keyword(s):  
Global Optimization ◽  
Optimization Approach ◽  
Lennard Jones

scholarly journals A Global Optimization Approach to Solve Multi-Aircraft Routing Problems

2010 ◽  
pp. 237-259
Author(s):  
S.P. Wilson ◽  
M.C. Bartholomew-Biggs ◽  
S.C. Parkhurst
Keyword(s):  
Global Optimization ◽  
Real Life ◽  
Two Dimensions ◽  
Numerical Results ◽  
Solution Technique ◽  
Optimization Approach ◽  
Routing Problem ◽  
Aircraft Routing ◽  
Optimization Calculation ◽  
Multiple Routes

This chapter describes the formulation and solution of a multi-aircraft routing problem which is posed as a global optimization calculation. The chapter extends previous work (involving a single aircraft using two dimensions) which established that the algorithm DIRECT is a suitable solution technique. The present work considers a number of ways of dealing with multiple routes using different problem decompositions. A further enhancement is the introduction of altitude to the problems so that full threedimensional routes can be produced. Illustrative numerical results are presented involving up to three aircraft and including examples which feature routes over real-life terrain data.

scholarly journals Metabolite discovery through global annotation of untargeted metabolomics data

2021 ◽  
Author(s):  
Li Chen ◽  
Wenyun Lu ◽  
Lin Wang ◽  
Xi Xing ◽  
Xin Teng ◽  
...  
Keyword(s):  
Global Optimization ◽  
High Resolution Mass Spectrometry ◽  
Mass Difference ◽  
Untargeted Metabolomics ◽  
Global Network ◽  
Optimization Approach ◽  
Metabolomics Data ◽  
Isotope Tracer ◽  
Powerful Approach ◽  
Fragmentation Patterns

AbstractA primary goal of metabolomics is to identify all biologically important metabolites. One powerful approach is liquid chromatography-high resolution mass spectrometry (LC-MS), yet most LC-MS peaks remain unidentified. Here, we present a global network optimization approach, NetID, to annotate untargeted LC-MS metabolomics data. We consider all experimentally observed ion peaks together, and assign annotations to all of them simultaneously so as to maximize a score that considers properties of peaks (known masses, retention times, MS/MS fragmentation patterns) as well network constraints that arise based on mass difference between peaks. Global optimization results in accurate peak assignment and trackable peak-peak relationships. Applying this approach to yeast and mouse data, we identify a half-dozen novel metabolites, including thiamine and taurine derivatives. Isotope tracer studies indicate active flux through these metabolites. Thus, NetID applies existing metabolomic knowledge and global optimization to annotate untargeted metabolomics data, revealing novel metabolites.

scholarly journals Thermodynamics and the global optimization of Lennard-Jones clusters

1998 ◽  
Vol 109 (19) ◽  
pp. 8143-8153 ◽  
Author(s):  
Jonathan P. K. Doye ◽  
David J. Wales ◽  
Mark A. Miller
Keyword(s):  
Global Optimization ◽  
Lennard Jones

Identification of the Optimal Product Configuration and Parameters for Improving Manufacturability

1996 ◽  
Author(s):  
Deyi Xue
Keyword(s):  
Global Optimization ◽  
Optimization Methods ◽  
Product Configuration ◽  
Design System ◽  
Optimization Approach ◽  
Continuous Variables ◽  
Integer Variables ◽  
System A ◽  
Global Optimization Methods

Abstract A global optimization approach for identifying the optimal product configuration and parameters is proposed to improve manufacturability measures including feasibility, cost, and time of production. Different product configurations, including alternative design candidates and production processes, are represented by an AND/OR graph. Product parameters are described by variables including continuous variables, integer variables, Boolean variables, and discrete variables. Two global optimization methods, genetic algorithm and simulated annealing, are employed for identifying the optimal product configuration and parameters. The introduced approach serves as a key component in an integrated concurrent design system. A case study example is given to show how the proposed method is used for solving the engineering problems.

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