Numerical Algorithms in III–V Semiconductor Heterostructures
<p>Experiments with the modified genetic algorithm and <math display="inline"><semantics> <mrow> <mi>H</mi> <mo>=</mo> <mn>10</mn> </mrow> </semantics></math>.</p> "> Figure 2
<p>Experiments with the modified PSO algorithm and <math display="inline"><semantics> <mrow> <mi>H</mi> <mo>=</mo> <mn>10</mn> </mrow> </semantics></math>.</p> "> Figure 3
<p>Experiments using different number of chromosomes (parameter <math display="inline"><semantics> <msub> <mi>N</mi> <mi>C</mi> </msub> </semantics></math>) to evaluate the execution time.</p> "> Figure 4
<p>Average execution time using the genetic algorithm and different number of processing threads. The genetic algorithm was parallelized using the OpenMP programming library.</p> "> Figure 5
<p>Logarithm function applied to the best obtained values for Equation (<a href="#FD14-algorithms-17-00044" class="html-disp-formula">14</a>) for both methods and for different values of parameter <math display="inline"><semantics> <msub> <mi>N</mi> <mi>C</mi> </msub> </semantics></math>.</p> "> Figure 6
<p>Logarithm function applied to the best obtained values for Equation (<a href="#FD14-algorithms-17-00044" class="html-disp-formula">14</a>) for different number of maximum allowed generations for the genetic algorithm.</p> ">
Abstract
:1. Introduction
2. Materials and Methods
2.1. Theory
2.2. The Used Genetic Algorithm
- Initialization Step
- (a)
- Set with the total number of chromosomes.
- (b)
- Set with the total number of generations allowed.
- (c)
- Define with K the number of weights for the neural networks.
- (d)
- Produce randomly chromosomes. Every chromosome consists of two equal parts. The first half represents the parameters of the artificial neural network and the second half represents the parameters of the artificial neural network . The size of each part is set to 3K, where K is the number of weights.
- (e)
- Set as the selection rate, with .
- (f)
- Set as the mutation rate, with .
- (g)
- Set iter = 0.
- Fitness calculation Step
- (a)
- For , do
- Calculate the fitness of every chromosome . The chromosome consists of two equal parts. The first part (parameters in range is used to represent the parameters of the artificial neural network and the second part (parameters in range ) represents the parameters of the artificial neural network . The calculation of the fitness has the following steps:
- Set , the first part of chromosome
- Set , the second part of chromosome
- Set the value for Equation (14)
- (b)
- EndFor
- Genetic operations step
- (a)
- Selection procedure. After sorting according to the fitness values, the first chromosomes with the lowest fitness values are copied to the next generation and the rest are replaced by offsprings produced during the crossover procedure.
- (b)
- Crossover procedure: Two new offsprings and are created for every selected couple of . The selection of is performed using the tournament selection. The new offsprings are produced according to the following:The value is a random number, where [42].
- (c)
- Perform the mutation procedure: For every element of each chromosome, a random number number is drawn. If , then this element is altered randomly.
- Termination Check Step
- (a)
- Set
- (b)
- The termination rule used here was initially proposed in the work of Tsoulos [43]. The algorithm computes the variance of the best-located fitness value at every iteration. If no better value was discovered for a number of generations, then this is a good evidence that the algorithm should terminate. Consider as the best fitness of the population and as the associated variance at generation iter. The termination rule is formulated as
- (c)
- If the termination rule is not satisfied, go to step 2.
- Local Search Step
- (a)
- Set the best chromosome of the population.
- (b)
- Apply a local search procedure to the best chromosome. In the current implementation, the BFGS method published by Powell [44] was used as a local search procedure.
2.3. The Used PSO Variant
- Initialization Step
- (a)
- Set the current iteration.
- (b)
- Set as the total number of particles.
- (c)
- Set as the maximum number of allowed generations.
- (d)
- Set with the local search rate.
- (e)
- Initialize the positions of the m particles . Each particle consists of two equal parts as in the genetic algorithm case.
- (f)
- Perform a random initialization of the respected velocities .
- (g)
- For , do . The vector holds the best located values for the position of each particle i.
- (h)
- Set
- Termination Check. Check for termination. The termination criterion used here is the same in the genetic algorithm case.
- For , Do
- (a)
- Update the velocity as a function of as
- The parameters are randomly selected numbers in [0,1].
- The parameters are in the range .
- The value denotes the inertia value and is calculated as
- (b)
- Update the position of the particle as
- (c)
- Pick a random number . If , then , where is a local search procedure. In the current work, the BFGS variant of Powell used in genetic algorithm is also utilized here.
- (d)
- Calculate the fitness of the particle i, , with the same procedure as in the genetic algorithm case.
- (e)
- If , then
- End For
- Set
- Set .
- Go to Step 2
3. Results
4. Discussion
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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PARAMETER | MEANING | VALUE |
---|---|---|
d | Well width | 5 nm |
Left bound of Equation (14) | 0.1 | |
Right bound of Equation (14) | 3.0 | |
Number of points used to divide the interval | 100 | |
ℏ | Longitudinal-optical phonon energy of material 1 (AlAs) | 50.09 meV |
ℏ | Transverse-optical phonon energy of material 1 (AlAs) | 44.88 meV |
ℏ | Longitudinal-optical phonon energy of material 2 (GaAs) | 36.25 meV |
ℏ | Transverse-optical phonon energy of material 2 (GaAs) | 33.29 meV |
High-frequency dielectric constant of material 1 (AlAs) | 8.16 | |
High-frequency dielectric constant of material 2 (GaAs) | 10.89 | |
Number of chromosomes/particles | 500 | |
Maximum number of allowed generations | 200 | |
Selection rate | 0.90 | |
Mutation rate | 0.05 | |
Local search rate | 0.01 |
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Tsoulos, I.G.; Stavrou, V.N. Numerical Algorithms in III–V Semiconductor Heterostructures. Algorithms 2024, 17, 44. https://doi.org/10.3390/a17010044
Tsoulos IG, Stavrou VN. Numerical Algorithms in III–V Semiconductor Heterostructures. Algorithms. 2024; 17(1):44. https://doi.org/10.3390/a17010044
Chicago/Turabian StyleTsoulos, Ioannis G., and V. N. Stavrou. 2024. "Numerical Algorithms in III–V Semiconductor Heterostructures" Algorithms 17, no. 1: 44. https://doi.org/10.3390/a17010044
APA StyleTsoulos, I. G., & Stavrou, V. N. (2024). Numerical Algorithms in III–V Semiconductor Heterostructures. Algorithms, 17(1), 44. https://doi.org/10.3390/a17010044