A simplex optimizer taken from GSL. More...

#include <IMP/gsl/Simplex.h>

Inheritance diagram for IMP::gsl::Simplex:

Public Member Functions
	Simplex (Model *m=nullptr)

virtual void	do_show (std::ostream &out) const

Public Member Functions inherited from IMP::gsl::GSLOptimizer
	GSLOptimizer (Model *m)

void	set_stop_score (double d)
	Stop the optimization if the score falls below this value.

Public Member Functions inherited from IMP::kernel::Optimizer
	Optimizer (Model *m, std::string name="Optimizer %1%")

double	get_last_score () const
	Return the score found in the last evaluate.

Model *	get_model () const
	Get the model being optimized.

ScoringFunction *	get_scoring_function () const
	Return the scoring function that is being used.

bool	get_stop_on_good_score () const

double	optimize (unsigned int max_steps)
	Optimize the model for up to max_steps iterations. More...

void	set_model (Model *m)
	Set the model being optimized. More...

virtual void	set_scoring_function (ScoringFunctionAdaptor sf)

void	set_stop_on_good_score (bool tf)

virtual void	show (std::ostream &out=std::cout) const
	Print info about the optimizer state. More...

void	remove_optimizer_state (OptimizerState *d)

void	remove_optimizer_states (const OptimizerStates &d)

void	set_optimizer_states (const OptimizerStates &ps)

void	set_optimizer_states_order (const OptimizerStates &objs)

unsigned int	add_optimizer_state (OptimizerState *obj)

void	add_optimizer_states (const OptimizerStates &objs)

void	clear_optimizer_states ()

unsigned int	get_number_of_optimizer_states () const

bool	get_has_optimizer_states ()

OptimizerState *	get_optimizer_state (unsigned int i) const

OptimizerStates	get_optimizer_states () const

void	reserve_optimizer_states (unsigned int sz)

Public Member Functions inherited from IMP::base::Object
virtual void	clear_caches ()

virtual IMP::base::VersionInfo	get_version_info () const =0
	Get information about the module and version of the object.

void	set_check_level (CheckLevel l)

void	set_log_level (LogLevel l)
	Set the logging level used in this object. More...

void	set_was_used (bool tf) const

void	show (std::ostream &out=std::cout) const

const std::string &	get_name () const

void	set_name (std::string name)

Parameters
The parameters are: minumum_size: the optimization stops when the size of the simplex falls below this. The size is defined as the average distance from the centroid to the simplex vertices. (Default 0.1) initial_length: the length of the initial sizes of the simplex. Make sure that this covers the optimal solution, given the starting configuration. (Default 1) Note Both quantities are relative to rescaled attribues and so should be numbers between 0 and 1.
void	set_initial_length (double length)

void	set_minimum_size (double d)

Additional Inherited Members
Protected Member Functions inherited from IMP::kernel::Optimizer
virtual double	do_optimize (unsigned int ns)=0
	override this function to do actual optimization

void	update_states () const
	Update optimizer states, should be called at each successful step. More...

double	width (FloatKey k) const

FloatIndexes	get_optimized_attributes () const

void	set_value (FloatIndex fi, double v) const

Float	get_value (FloatIndex fi) const

Float	get_derivative (FloatIndex fi) const

void	set_scaled_value (FloatIndex fi, Float v) const

double	get_scaled_value (FloatIndex fi) const

double	get_scaled_derivative (FloatIndex fi) const

void	clear_range_cache ()
	Clear the cache of range information. Do this at the start of optimization.

Related Functions inherited from IMP::gsl::GSLOptimizer
typedef IMP::base::Vector < IMP::base::WeakPointer < GSLOptimizer > >	GSLOptimizersTemp

Detailed Description

Simplex works by modifying a simplex in the space of the optimized attributes. The algorithm may not behave well when using score states, such as those involved in rigid bodies, which significantly change the values of the attributes. Then, again, it may work just fine. But be aware that it is not understood.

The main advantage of Simplex is that it is a local optimizer that does not require derivatives.

Definition at line 27 of file Simplex.h.

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

Simplex.h

Public Member Functions

Parameters

Additional Inherited Members

Detailed Description