IMP::core::ConjugateGradients Class Reference
Simple conjugate gradients optimizer. More...
#include <IMP/core/ConjugateGradients.h>
Inheritance diagram for IMP::core::ConjugateGradients:Public Member Functions | |
| ConjugateGradients (Model *m=nullptr) | |
| virtual void | do_show (std::ostream &out) const |
| void | set_gradient_threshold (Float t) |
| Set the threshold for the minimum gradient. | |
| void | set_max_change (Float t) |
| Limit how far anything can change each time step. | |
| 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) |
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::kernel::Optimizer | |
| typedef IMP::base::Vector < IMP::base::WeakPointer < Optimizer > > | OptimizersTemp |
Detailed Description
Algorithm is as per Shanno and Phua, ACM Transactions On Mathematical Software 6 (December 1980), 618-622
Conjugate gradients optimization is sensitive to the scales of the derivatives of the various attributes being optimized. By default, the scales are estimated from the range of values found for the attribute upon initialization. These estimates can be viewed either by calling Model::get_range(my_float_key) or by turning on TERSE logging and looking at logged messages. If this estimate does not accurately reflect the scale, then you can use Model::set_range to set a more accurate range for the parameters.
Definition at line 32 of file core/ConjugateGradients.h.
The documentation for this class was generated from the following file: