OPTK  0.1.2
Toolkit for global optimisation algorithms
Public Member Functions | List of all members
syn::lennard_jones Class Reference

#include <synthetic.hpp>

Inheritance diagram for syn::lennard_jones:
syn::synthetic optk::benchmark

Public Member Functions

double evaluate (inst::set x) override
 
- Public Member Functions inherited from syn::synthetic
 synthetic (const std::string &n, u_int dims, double lb, double ub, double opt)
 
 synthetic (const std::string &n, u_int dims, double opt)
 
 ~synthetic ()
 
sspace::sspace_tget_search_space ()
 
void set_properties (std::vector< properties > p)
 
std::vector< propertiesget_properties ()
 
inst::set get_opt_param ()
 
double get_opt ()
 
void update_opt (double opt)
 
u_int get_dims ()
 
void validate_param_set (inst::set x)
 
- Public Member Functions inherited from optk::benchmark
 benchmark (const std::string &name)
 
std::string get_name ()
 

Additional Inherited Members

- Protected Member Functions inherited from syn::synthetic
void set_opt_param (inst::set op)
 
- Protected Attributes inherited from syn::synthetic
u_int m_dims
 
double m_lb
 
double m_ub
 
double m_opt
 
std::vector< propertiesm_properties
 
inst::set opt_params
 
sspace::sspace_t m_sspace
 
- Protected Attributes inherited from optk::benchmark
std::string m_name
 

Detailed Description

The Lennard Jones 6 benchmark function has the following formula:

\[ f(\mathbf{x}) = \sum^{n/3-1}_{i=1} \sum^{n/3}_{i=1} \delta_{e_{ij}} (e_{ij}^{-3} - 2)e_{ij}^{-3} \]

where

\[ \begin{align*} \delta_{e_{ij}} &= \begin{cases} 0 &\text{if } e_{ij} \le 0 \\ 1 &\text{othersise,} \\ e_{ij} &= (x_{3i} - x_{3j})^2 + (x_{3i+1} - x_{3j+1})^2 + (x_{3i+2} - x_{3i+2})^2 \end{align*} \]

subject to \(-3 \le x_i \le 3\) with a global minimum located at \(\mathbf{x}^* = (-2.66666470373, 2.73904387714, 1.42304625988, -1.95553276732, 2.81714839844, 2.12175295546)\), with value \(f(\mathbf{x}^*) = -1\).

Member Function Documentation

◆ evaluate()

double syn::lennard_jones::evaluate ( inst::set  x)
overridevirtual

Evaluate the benchmark (i.e. calculate the value of the objective fuinction) on the provided values.

Parameters
xA vector of double-precision values to evaluate the benchmark at.
Todo:
Verify that a vector of doubles does not constrict the range of benchmark functions which may be evaluated (i.e. as opposed to categorical variables such as strings).

Implements optk::benchmark.


The documentation for this class was generated from the following files: