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Pairwise and Problem-Specific Distance Metrics
                in the Linkage Tree Genetic Algorithm

                 Martin Pelikan1 , Mark W. Hauschild1 , Dirk Thierens2
             1
                 Missouri Estimation of Distribution Algorithms Laboratory (MEDAL)
                               University of Missouri, St. Louis, MO
                            pelikan@cs.umsl.edu, mwh308@umsl.edu

                                                   2
                                                 Utrecht University
                                             Utrecht, The Netherlands
                                            Dirk.Thierens@cs.uu.nl


                                   Download MEDAL Report No. 2011001
                           http://medal.cs.umsl.edu/files/2011001.pdf



Martin Pelikan, Mark W. Hauschild, Dirk Thierens          Pairwise and Problem-Specific Metrics in LTGA
Motivation

       Linkage learning
               Standard crossover often ineffective in presence of epistasis.
               Linkage learning aims to learn interactions between problem
               variables to ensure that crossover does not disrupt important
               partial solutions and it combines them effectively.
               Various evolutionary algorithms capable of linkage learning
               exist.

       This study
               Focuses on linkage tree genetic algorithm (LTGA).
               Proposes and analyzes two distance metrics in LTGA.
               Analyzes LTGA scalability on a large number of problems.



Martin Pelikan, Mark W. Hauschild, Dirk Thierens   Pairwise and Problem-Specific Metrics in LTGA
Outline




          1. Linkage tree genetic algorithm (LTGA).
          2. Distance metrics in LTGA.
          3. Experiments.
          4. Summary and conclusions.




Martin Pelikan, Mark W. Hauschild, Dirk Thierens   Pairwise and Problem-Specific Metrics in LTGA
Linkage Tree

       Linkage tree
               Leaves are individual variables (string positions).
               Each internal node has two subtrees.
               Each node represents a subset of variables (descendants).
               Descendants of any node form a linkage group.
               Linkage groups used as masks in LTGA crossover.




Martin Pelikan, Mark W. Hauschild, Dirk Thierens   Pairwise and Problem-Specific Metrics in LTGA
Linkage Tree Genetic Algorithm

       LTGA procedure
               Starts with a random population.
               Initial population may undergo local search.
               Each generation performs two rounds of crossover to generate
               a new population of the same size.

       LTGA crossover
               Start with pair (X, Y ) of parents.
               For each linkage group [π1 , π2 , . . . , πk ] in T (bottom to top)
                       Create X and Y by exchanging bits in positions {π1 , . . . , πk }
                       between X and Y .
                       If best(X , Y ) is better than best(X, Y ), then replace (X, Y )
                       with (X , Y ).
               The best of the two parents after applying each linkage group
               survives to the next population.

Martin Pelikan, Mark W. Hauschild, Dirk Thierens     Pairwise and Problem-Specific Metrics in LTGA
Learning Linkage Tree

       Learning linkage tree
               Start with each variable being a separate linkage group.
               Each step merges two closest groups.
               Distance of linkage groups based on variation of information.
               Each iteration should merge most strongly interacting groups.




Martin Pelikan, Mark W. Hauschild, Dirk Thierens   Pairwise and Problem-Specific Metrics in LTGA
Measuring Cluster Distances in LTGA

       Distance metric based on variation of information
               Distance of clusters Ci and Cj :

                                                          H(Ci ) + H(Cj )
                                      D(Ci , Cj ) = 2 −
                                                            H(Ci , Cj )

               where
                       H(Ci , Cj ) is the entropy of Ci ∪ Cj
                       H(Ci ) is the entropy of Ci
                       H(Cj ) is the entropy of Cj


       Bottleneck in learning linkage tree
               Most time spent by measuring cluster distances.
               Can we alleviate this bottleneck?
               We discuss two distance metrics that address this issue.

Martin Pelikan, Mark W. Hauschild, Dirk Thierens      Pairwise and Problem-Specific Metrics in LTGA
Pairwise Metric

       Pairwise metric
               Start by measuring distances between pairs of variables.
               Cluster distance computed as average distance between pairs
               of variables
                                                         1
                             D (Ci , Cj ) =                                        D(ci , cj )
                                                   |Ci | × |Cj |
                                                                   ci ∈Ci cj ∈Cj



       Good news
               We only need pairwise statistics.
               This results in much faster distance computation.
               Surprisingly, this also helps scalability.



Martin Pelikan, Mark W. Hauschild, Dirk Thierens           Pairwise and Problem-Specific Metrics in LTGA
Pairwise Metric

       Pairwise metric
               Start by measuring distances between pairs of variables.
               Cluster distance computed as average distance between pairs
               of variables
                                                         1
                             D (Ci , Cj ) =                                        D(ci , cj )
                                                   |Ci | × |Cj |
                                                                   ci ∈Ci cj ∈Cj



       Good news
               We only need pairwise statistics.
               This results in much faster distance computation.
               Surprisingly, this also helps scalability.



Martin Pelikan, Mark W. Hauschild, Dirk Thierens           Pairwise and Problem-Specific Metrics in LTGA
Problem-Specific Metrics

       Basic idea
               If we could estimate distance of clusters without computing
               statistics from current population, we could possibly
                       save lot of time in learning tree, and
                       reduce the population sizes and number of generations.


       Where to get distances from?
               Problem-specific information.
               Learning from optimization runs on similar problems.




Martin Pelikan, Mark W. Hauschild, Dirk Thierens   Pairwise and Problem-Specific Metrics in LTGA
Additively Decomposable Functions (ADFs)

       Additively decomposable function
               Additively decomposable function:
                                                                    m
                                           f (X1 , . . . , Xn ) =         fi (Si )
                                                                    i=1


                       fi is ith subfunction
                       Si is subset of variables from {X1 , . . . , Xn }
               Variables in located in the same subproblem are expected to
               interact more strongly.
               Can we use this fact to create a distance metric for LTGA?




Martin Pelikan, Mark W. Hauschild, Dirk Thierens           Pairwise and Problem-Specific Metrics in LTGA
Problem-Specific Metric for ADFs

       Distance metric for ADFs
               Create graph G = (V, E).
                       V = {X1 , X2 , . . . , Xn }.
                       E = {(i, j) : Xi , Xj ∈ Sk }.
                       Define weight of each edge from E as d(i, j) = 1.
                       Define li,j the shortest path between i and j.




Martin Pelikan, Mark W. Hauschild, Dirk Thierens   Pairwise and Problem-Specific Metrics in LTGA
Problem-Specific Metric for ADFs

       Distance metric for ADFs
               Use G to compute distances between variables

                                               li,j     if a path between Xi and Xj exists
                 D (Xi , Xj ) =
                                               n        otherwise

               Cluster distance is defined as an average of pairwise distances
                                                            1
                            D (Ci , Cj ) =                                            D (ci , cj )
                                                      |Ci | × |Cj |
                                                                      ci ∈Ci cj ∈Cj




Martin Pelikan, Mark W. Hauschild, Dirk Thierens               Pairwise and Problem-Specific Metrics in LTGA
Experiments: Test Problems

       Problems
               Concatenated traps of order k.
               Nearest-neighbor NK landscapes with wrap-around
               neighborhoods.
               2D Ising spin glass.

       Why these test problems?
               All test problems require linkage learning.
               All test problems are nontrivial.
               Yet all test problems are solvable in polynomial time.




Martin Pelikan, Mark W. Hauschild, Dirk Thierens   Pairwise and Problem-Specific Metrics in LTGA
Experiments: Setup

       Test problem parameters, instances
               Traps of order k ∈ {5, 6, 7, 8} were tested.
               NK landscapes with k = 5 were tested.
               For all problems, n was varied.
               For NK landscapes and spin glasses, for each n, 1,000
               instances were generated and tested.

       LTGA setup
               Bisection was used to find minimum population size for
               convergence to the optimum in 10 out of 10 independent runs.
               For traps, bisection is repeated 10 times for each n.
               Max. number of generations is set to a sufficiently large value.
               Bit-flip local search run on initial population.
               Use standard, pairwise, and problem-specific metric.


Martin Pelikan, Mark W. Hauschild, Dirk Thierens   Pairwise and Problem-Specific Metrics in LTGA
Results: Pairwise Metric on Trap-5

                                           6
                                          10
                                                                   1.27
                  Number of evaluations         LTGA (original), O(n )
                                                                    1.25
                                                LTGA (pairwise), O(n )


                                           5
                                          10




                                           4
                                          10
                                                2                                      3
                                               10                                  10
                                                       Problem size, n
              Pairwise metric allows us to solve much larger problems.
              Scalability is slightly improved (surprising).
              Results for trap-6 and trap-7 similar.
Martin Pelikan, Mark W. Hauschild, Dirk Thierens                  Pairwise and Problem-Specific Metrics in LTGA
Results: Pairwise Metric on NK

                                           7                        5.14
                                          10    LTGA (original), O(n )
                  Number of evaluations                             3.23
                                                LTGA (pairwise), O(n )
                                           6
                                          10

                                           5
                                          10

                                           4
                                          10

                                           3
                                          10
                                               20         40      60 80 100
                                                       Problem size, n
              Pairwise metric allows us to solve much larger problems.
              Scalability is significantly improved (surprising).

Martin Pelikan, Mark W. Hauschild, Dirk Thierens                Pairwise and Problem-Specific Metrics in LTGA
Results: Pairwise Metric on 2D Spin Glass

                                           7
                                          10
                                                                       5.38
                  Number of evaluations             LTGA (original), O(n )
                                                                        3.50
                                                    LTGA (pairwise), O(n )
                                           6
                                          10


                                           5
                                          10


                                           4
                                          10
                                               64         100     144      196          256
                                                           Problem size, n

              Pairwise metric allows us to solve much larger problems.
              Scalability is significantly improved (surprising).

Martin Pelikan, Mark W. Hauschild, Dirk Thierens                      Pairwise and Problem-Specific Metrics in LTGA
Results: Problem-Specific Metric on Trap-5

                                                6
                                               10
                                                                          1.25
                                                     LTGA (pairwise), O(n )
                       Number of evaluations                             1.26
                                                     LTGA (problem), O(n )


                                                5
                                               10




                                                4
                                               10
                                                     2                                       3
                                                    10                                   10
                                                            Problem size, n

               Problem-specific metric similar to pairwise metric.
               CPU slightly decreased though with problem-specific metric.

Martin Pelikan, Mark W. Hauschild, Dirk Thierens                    Pairwise and Problem-Specific Metrics in LTGA
Results: Problem-Specific Metric on NK

                                           7
                                          10
                                                                     3.23
                  Number of evaluations         LTGA (pairwise), O(n )
                                                                    2.87
                                           6    LTGA (problem), O(n )
                                          10

                                           5
                                          10

                                           4
                                          10

                                           3
                                          10
                                               20         40      60 80 100
                                                       Problem size, n
              Problem-specific metric slightly better than pairwise one.
              So problem-specific metric pays off.

Martin Pelikan, Mark W. Hauschild, Dirk Thierens                  Pairwise and Problem-Specific Metrics in LTGA
Results: Problem-Specific Metric on 2D Spin Glass

                                           8
                                          10
                                                                        4.05
                  Number of evaluations             LTGA (problem), O(n )
                                                                        3.50
                                           7        LTGA (pairwise), O(n )
                                          10

                                           6
                                          10

                                           5
                                          10

                                           4
                                          10
                                               64         100     144      196          256
                                                           Problem size, n

              Problem-specific metric scales worse than pairwise one!
              Problem-specific metric is not that great for 2D spin glass.

Martin Pelikan, Mark W. Hauschild, Dirk Thierens                      Pairwise and Problem-Specific Metrics in LTGA
Conclusions and Future Work
       Conclusions
              LTGA provides opportunities for efficiency enhancements.
              LTGA also provides promising tool for using problem-specific
              knowledge and learning from experience whensolving many instances
              of similar problems.
              Pairwise metric provides important improvement.
              Problem-specific metric demonstrates the ability of LTGA to exploit
              problem-specific knowledge on additively decomposable functions.
              But the results based on problem-specific information are mixed.

       Future work
              Design more robust and effective problem-specific metrics.
              Design methods to learn distance metrics for specific problem classes.
              Improve performance of LTGA on problems of complex structure.
              Adopt efficiency enhancement techniques for other evolutionary
              algorithms to LTGA, including model-directed local search, fitness
              modeling, parallelization, and others.


Martin Pelikan, Mark W. Hauschild, Dirk Thierens   Pairwise and Problem-Specific Metrics in LTGA
Acknowledgments




       Acknowledgments
               NSF; NSF CAREER grant ECS-0547013.
               University of Missouri; High Performance Computing
               Collaboratory sponsored by Information Technology Services;
               Research Award; Research Board.




Martin Pelikan, Mark W. Hauschild, Dirk Thierens   Pairwise and Problem-Specific Metrics in LTGA

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LTGA Scalability with Pairwise and Problem-Specific Distance Metrics

  • 1. Pairwise and Problem-Specific Distance Metrics in the Linkage Tree Genetic Algorithm Martin Pelikan1 , Mark W. Hauschild1 , Dirk Thierens2 1 Missouri Estimation of Distribution Algorithms Laboratory (MEDAL) University of Missouri, St. Louis, MO pelikan@cs.umsl.edu, mwh308@umsl.edu 2 Utrecht University Utrecht, The Netherlands Dirk.Thierens@cs.uu.nl Download MEDAL Report No. 2011001 http://medal.cs.umsl.edu/files/2011001.pdf Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 2. Motivation Linkage learning Standard crossover often ineffective in presence of epistasis. Linkage learning aims to learn interactions between problem variables to ensure that crossover does not disrupt important partial solutions and it combines them effectively. Various evolutionary algorithms capable of linkage learning exist. This study Focuses on linkage tree genetic algorithm (LTGA). Proposes and analyzes two distance metrics in LTGA. Analyzes LTGA scalability on a large number of problems. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 3. Outline 1. Linkage tree genetic algorithm (LTGA). 2. Distance metrics in LTGA. 3. Experiments. 4. Summary and conclusions. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 4. Linkage Tree Linkage tree Leaves are individual variables (string positions). Each internal node has two subtrees. Each node represents a subset of variables (descendants). Descendants of any node form a linkage group. Linkage groups used as masks in LTGA crossover. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 5. Linkage Tree Genetic Algorithm LTGA procedure Starts with a random population. Initial population may undergo local search. Each generation performs two rounds of crossover to generate a new population of the same size. LTGA crossover Start with pair (X, Y ) of parents. For each linkage group [π1 , π2 , . . . , πk ] in T (bottom to top) Create X and Y by exchanging bits in positions {π1 , . . . , πk } between X and Y . If best(X , Y ) is better than best(X, Y ), then replace (X, Y ) with (X , Y ). The best of the two parents after applying each linkage group survives to the next population. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 6. Learning Linkage Tree Learning linkage tree Start with each variable being a separate linkage group. Each step merges two closest groups. Distance of linkage groups based on variation of information. Each iteration should merge most strongly interacting groups. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 7. Measuring Cluster Distances in LTGA Distance metric based on variation of information Distance of clusters Ci and Cj : H(Ci ) + H(Cj ) D(Ci , Cj ) = 2 − H(Ci , Cj ) where H(Ci , Cj ) is the entropy of Ci ∪ Cj H(Ci ) is the entropy of Ci H(Cj ) is the entropy of Cj Bottleneck in learning linkage tree Most time spent by measuring cluster distances. Can we alleviate this bottleneck? We discuss two distance metrics that address this issue. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 8. Pairwise Metric Pairwise metric Start by measuring distances between pairs of variables. Cluster distance computed as average distance between pairs of variables 1 D (Ci , Cj ) = D(ci , cj ) |Ci | × |Cj | ci ∈Ci cj ∈Cj Good news We only need pairwise statistics. This results in much faster distance computation. Surprisingly, this also helps scalability. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 9. Pairwise Metric Pairwise metric Start by measuring distances between pairs of variables. Cluster distance computed as average distance between pairs of variables 1 D (Ci , Cj ) = D(ci , cj ) |Ci | × |Cj | ci ∈Ci cj ∈Cj Good news We only need pairwise statistics. This results in much faster distance computation. Surprisingly, this also helps scalability. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 10. Problem-Specific Metrics Basic idea If we could estimate distance of clusters without computing statistics from current population, we could possibly save lot of time in learning tree, and reduce the population sizes and number of generations. Where to get distances from? Problem-specific information. Learning from optimization runs on similar problems. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 11. Additively Decomposable Functions (ADFs) Additively decomposable function Additively decomposable function: m f (X1 , . . . , Xn ) = fi (Si ) i=1 fi is ith subfunction Si is subset of variables from {X1 , . . . , Xn } Variables in located in the same subproblem are expected to interact more strongly. Can we use this fact to create a distance metric for LTGA? Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 12. Problem-Specific Metric for ADFs Distance metric for ADFs Create graph G = (V, E). V = {X1 , X2 , . . . , Xn }. E = {(i, j) : Xi , Xj ∈ Sk }. Define weight of each edge from E as d(i, j) = 1. Define li,j the shortest path between i and j. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 13. Problem-Specific Metric for ADFs Distance metric for ADFs Use G to compute distances between variables li,j if a path between Xi and Xj exists D (Xi , Xj ) = n otherwise Cluster distance is defined as an average of pairwise distances 1 D (Ci , Cj ) = D (ci , cj ) |Ci | × |Cj | ci ∈Ci cj ∈Cj Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 14. Experiments: Test Problems Problems Concatenated traps of order k. Nearest-neighbor NK landscapes with wrap-around neighborhoods. 2D Ising spin glass. Why these test problems? All test problems require linkage learning. All test problems are nontrivial. Yet all test problems are solvable in polynomial time. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 15. Experiments: Setup Test problem parameters, instances Traps of order k ∈ {5, 6, 7, 8} were tested. NK landscapes with k = 5 were tested. For all problems, n was varied. For NK landscapes and spin glasses, for each n, 1,000 instances were generated and tested. LTGA setup Bisection was used to find minimum population size for convergence to the optimum in 10 out of 10 independent runs. For traps, bisection is repeated 10 times for each n. Max. number of generations is set to a sufficiently large value. Bit-flip local search run on initial population. Use standard, pairwise, and problem-specific metric. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 16. Results: Pairwise Metric on Trap-5 6 10 1.27 Number of evaluations LTGA (original), O(n ) 1.25 LTGA (pairwise), O(n ) 5 10 4 10 2 3 10 10 Problem size, n Pairwise metric allows us to solve much larger problems. Scalability is slightly improved (surprising). Results for trap-6 and trap-7 similar. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 17. Results: Pairwise Metric on NK 7 5.14 10 LTGA (original), O(n ) Number of evaluations 3.23 LTGA (pairwise), O(n ) 6 10 5 10 4 10 3 10 20 40 60 80 100 Problem size, n Pairwise metric allows us to solve much larger problems. Scalability is significantly improved (surprising). Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 18. Results: Pairwise Metric on 2D Spin Glass 7 10 5.38 Number of evaluations LTGA (original), O(n ) 3.50 LTGA (pairwise), O(n ) 6 10 5 10 4 10 64 100 144 196 256 Problem size, n Pairwise metric allows us to solve much larger problems. Scalability is significantly improved (surprising). Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 19. Results: Problem-Specific Metric on Trap-5 6 10 1.25 LTGA (pairwise), O(n ) Number of evaluations 1.26 LTGA (problem), O(n ) 5 10 4 10 2 3 10 10 Problem size, n Problem-specific metric similar to pairwise metric. CPU slightly decreased though with problem-specific metric. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 20. Results: Problem-Specific Metric on NK 7 10 3.23 Number of evaluations LTGA (pairwise), O(n ) 2.87 6 LTGA (problem), O(n ) 10 5 10 4 10 3 10 20 40 60 80 100 Problem size, n Problem-specific metric slightly better than pairwise one. So problem-specific metric pays off. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 21. Results: Problem-Specific Metric on 2D Spin Glass 8 10 4.05 Number of evaluations LTGA (problem), O(n ) 3.50 7 LTGA (pairwise), O(n ) 10 6 10 5 10 4 10 64 100 144 196 256 Problem size, n Problem-specific metric scales worse than pairwise one! Problem-specific metric is not that great for 2D spin glass. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 22. Conclusions and Future Work Conclusions LTGA provides opportunities for efficiency enhancements. LTGA also provides promising tool for using problem-specific knowledge and learning from experience whensolving many instances of similar problems. Pairwise metric provides important improvement. Problem-specific metric demonstrates the ability of LTGA to exploit problem-specific knowledge on additively decomposable functions. But the results based on problem-specific information are mixed. Future work Design more robust and effective problem-specific metrics. Design methods to learn distance metrics for specific problem classes. Improve performance of LTGA on problems of complex structure. Adopt efficiency enhancement techniques for other evolutionary algorithms to LTGA, including model-directed local search, fitness modeling, parallelization, and others. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA
  • 23. Acknowledgments Acknowledgments NSF; NSF CAREER grant ECS-0547013. University of Missouri; High Performance Computing Collaboratory sponsored by Information Technology Services; Research Award; Research Board. Martin Pelikan, Mark W. Hauschild, Dirk Thierens Pairwise and Problem-Specific Metrics in LTGA