Engineering Chemical Substances via Molecular Simulations Utilizing Efficient Gradient-Based Optimization Algorithms.
Marco HülsmannThorsten KöddermannDirk ReithPublished in: ERCIM News (2010)
Keyphrases
- optimization problems
- computationally intensive
- data sets
- computationally expensive
- discrete optimization
- computationally efficient
- neural network
- algorithmic solutions
- parallel architectures
- optimization methods
- efficient implementation
- global optimization
- orders of magnitude
- benchmark datasets
- feature selection
- evolution strategy
- chemical reaction
- data mining
- efficient optimization
- optimization criteria
- machine learning
- efficient solutions
- highly scalable
- complexity analysis
- optimization algorithm
- three dimensional
- highly efficient
- computational complexity
- computer science
- convergence rate
- multi objective
- software engineering
- theoretical analysis