Difference between revisions of "DOCK GA Development Goals"
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| + | |- style="background:lightblue" | ||
| + | ! style="width:75%" !|Tasks | ||
| + | ! style="width:25%" !|src | ||
| + | ! style="width:13%" !|Owner | ||
| + | ! style="width:10%" !|Complete? | ||
| + | |- | ||
| + | |Fix bug that collapsed atom coordinates || everywhere? nowhere? || everyone || No | ||
| + | |- | ||
| + | |Added Delimeter header ||conf_gen_ga || LEP || Yes | ||
| + | |- | ||
| + | |Fix xover only feature ||conf_gen_ga || LEP || No | ||
| + | |- | ||
| + | |Put in error messages for mut_rate > 1 || LEP || Yes | ||
| + | |- | ||
| + | |Manual user-defined mutation type ||conf_gen_ga || LEP || No | ||
| + | |- | ||
| + | |} | ||
| + | <br> | ||
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==To Do List== | ==To Do List== | ||
-xover- | -xover- | ||
guided based on score | guided based on score | ||
| − | + | 1. good v good | |
| − | + | 2. bad v good | |
| − | + | 3. bad v bad | |
nonexhaustive xover (pick subset of xover based on probability) | nonexhaustive xover (pick subset of xover based on probability) | ||
2-3 point xover at once | 2-3 point xover at once | ||
Revision as of 11:46, 15 February 2019
| Tasks | src | Owner | Complete? |
|---|---|---|---|
| Fix bug that collapsed atom coordinates | everywhere? nowhere? | everyone | No |
| Added Delimeter header | conf_gen_ga | LEP | Yes |
| Fix xover only feature | conf_gen_ga | LEP | No |
| Put in error messages for mut_rate > 1 | LEP | Yes | |
| Manual user-defined mutation type | conf_gen_ga | LEP | No |
To Do List
-xover- guided based on score 1. good v good 2. bad v good 3. bad v bad nonexhaustive xover (pick subset of xover based on probability) 2-3 point xover at once adaptive maintenance ensemble based on ensemble convergence bring in new parents based on convergence -Mutations- adaptive mutation rate pick location of mutation based on something pick mutation type based on behavior of esemble
too large boost deletion too small more add change ...boost replace/sub
mutation type selection based on probability vs ensemble
complete x # y mutation so far so less prevalent etc 3 layer subs do no work so don't do them
replace > 1 segment -fitness- turn on and off niching adaptive/extinction reduce boost of fragments and all poor mols with niching pareto/mulitobjective ga -selection- metropolis selection for tournament/roulette adaptive keep #p and #o -extinction- automated vs on convergence -stop- convergence -which molecules are best- -best first pruning - now uses descriptor score even if niching ned to delta to fitness/niching when used
