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5 - 1 Chap 5 The Evolution Trees. 5 - 2 Evolutionary Tree.

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Presentation on theme: "5 - 1 Chap 5 The Evolution Trees. 5 - 2 Evolutionary Tree."— Presentation transcript:

1 5 - 1 Chap 5 The Evolution Trees

2 5 - 2 Evolutionary Tree

3 5 - 3 Tree Topology Rooted tree Unrooted tree

4 5 - 4 Distance Matrix and Rooted Tree s1s1 s2s2 s3s3 s4s4 s5s5 s1s1 050105030 s2s2 500 1050 s3s3 10500 30 s4s4 5010500 s5s5 305030500

5 5 - 5 Distances Relation dt(s i, s j ): the distance between species s i and s j in an evolution tree d(s i, s j ): the distance between species s i and s j in the distance matrix dt(s i, s j )  d(s i, s j ) s 1 = agctccca s 2 = agccccca s' 1 = agcaccca d(s 1, s 2 ) = 1s 2 = agccccca dt(s 1, s 2 ) = 2

6 5 - 6

7 7 Numbers about Unrooted Tree Number of edges of an unrooted evolurion tree NE(n) = 2n  3 Number of unrooted evolution trees for n species TU(n + 1) = (2n  3)  TU(n) TU(n) = (2n  5)  (2n  7)    1

8 5 - 8

9 9 An Unrooted Evolution Tree with an Outlier Species

10 5 - 10 Different Tree Specifications Minimax evolution trees –The maximum of (dt(s i, s j )  d(s i, s j )) is minimized. Minisum evolution trees –The total sum of all pairs of distances among leaf nodes is minimized. Minisize evolution trees –The total length of the tree is minimized.

11 5 - 11 Complexities of Evolution Tree Problems MinimaxMinisumMinisize UnrootedNP-complete Unknown RootedO(n2)O(n2)NP-complete

12 5 - 12 The Rooted Minimax Evolution Tree Algorithm (1) Find the longest distance in the distance matrix s1s1 s2s2 s3s3 s4s4 s1s1 0233.1 s2s2 03.65 s3s3 01 s4s4 0

13 5 - 13 Example of the Rooted Minimax Evolution Tree Algorithm (2) Construct a minimal spanning tree

14 5 - 14 Example of the Rooted Minimax Evolution Tree Algorithm (3) Break the longest edge in path from s 2 to s 4

15 5 - 15 Example of the Rooted Minimax Evolution Tree Algorithm (4) Construct rooted subtrees

16 5 - 16 Example of the Rooted Minimax Evolution Tree Algorithm (5) Combine subtrees by making sure that dt(s 2, s 4 ) = d(s 2, s 4 )

17 5 - 17 Weights Determination for a Tree with a Given Topology Unrooted evolution tree

18 5 - 18 Weights Determination for a Tree with a Given Topology Rooted evolution tree

19 5 - 19 UPGMA for Rooted Evolution Trees Unweighted pair group method with arithmetic mean Finding a rooted evolution tree with a given distance matrix Greedy method Heuristic solution

20 5 - 20 UPGMA (1) Select the pair of species with the smallest distance s1s1 s2s2 s3s3 s4s4 s1s1 0443 s2s2 065 s3s3 02 s4s4 0

21 5 - 21 UPGMA (2) Consider (s 3, s 4 ) as a new species. d(s 1, (s 3, s 4 )) = ½(d(s 1, s 3 ) + d(s 1, s 4 )) = ½(4+3) = 3.5 d(s 2, (s 3, s 4 )) = ½(d(s 2, s 3 ) + d(s 2, s 4 )) = ½(6+5) = 5.5 d(s 1, s 2 ) = 4 s1s1 s2s2 (s 3, s 4 ) s1s1 043.5 s2s2 05.5 (s 3, s 4 )0

22 5 - 22 UPGMA (3) Select the pair of species (s 1, (s 3, s 4 )) with the smallest distance s1s1 s2s2 (s 3, s 4 ) s1s1 043.5 s2s2 05.5 (s 3, s 4 )0

23 5 - 23 UPGMA (4) Obtain the final evolution tree Then use linear programming technique to produce an evolution tree for a given criteria

24 5 - 24 The Neighbor Joining Method for Unrooted Evolution Trees Finding an unrooted evolution tree with a given distance matrix Greedy method Heuristic solution

25 5 - 25 Neighbor Joining Method (1) Distance matrix s1s1 s2s2 s3s3 s4s4 s1s1 0443 s2s2 4065 s3s3 4602 s4s4 3520

26 5 - 26 Neighbor Joining Method (2) We first construct a 1-star

27 5 - 27 Neighbor Joining Method (3) Select a pair of species, insert an internal node

28 5 - 28 Neighbor Joining Method (4) Calculate the new connection cost NC Calculate the weights of edges

29 5 - 29 Neighbor Joining Method (5) Select a pair of species, insert an internal node

30 5 - 30 Neighbor Joining Method (6) Calculate the saved costs of all pairs The cost saved by pairing s 1 with s 4 is 2 The cost saved by pairing s 1 with s 2 is 2.34 The cost saved by pairing s 1 with s 3 is 1.835 The cost saved by pairing s 2 with s 3 is 1.5 The cost saved by pairing s 2 with s 4 is 1.67 The cost saved by pairing s 3 with s 4 is 2.67

31 5 - 31 Neighbor Joining Method (7) The final tree structure

32 5 - 32 An Approximation Algorithm for an Unrooted Minisize Evolution Tree Finding an unrooted evolution tree with a given distance matrix This algorithm is based upon minimal spanning tree The approximate solution is never larger than twice of the size of an optimal solution

33 5 - 33 The Approximation Algorithm (1) Distance matrix s1s1 s2s2 s3s3 s4s4 s1s1 0443 s2s2 065 s3s3 02 s4s4 0

34 5 - 34 The Approximation Algorithm (2) We first construct a minimal spanning tree out of distance matrix BFS order ： s 4, s 3, s 1, s 2

35 5 - 35 Example of this Approximation Algorithm (3) Breadth first search BFS order ： e, b, g, j, f, a, c, d, h, i

36 5 - 36 Example of this Approximation Algorithm (4) Add nodes one by one s 4, s 3, s 1, s 2

37 5 - 37 Example of this Approximation Algorithm (5) An unrooted evolution tree transformed from the minimal spanning tree s 4, s 3, s 1, s 2

38 5 - 38 Proof(1) We will prove that the total length of this unrooted evolution tree is less than or equal to twice of the length of an optimal unrooted minisize evolution tree.

39 5 - 39 Proof(2) |MST|<|TSP| APP= |MST|<|TSP| TSP is to find a Hamiltonian cycle with the smallest length.

40 5 - 40 Proof(3) Original evolution tree The result of duplicating every edge in the tree

41 5 - 41 Proof(4) |ET|=2|OPT| |ET|=dt(s 1,s 2 )+ dt(s 2,s 3 )+...+ dt(s n-1,s n )+ dt(s n,s 1 ) |CET|= d(s 1,s 2 )+ d(s 2,s 3 )+...+ d(s n-1,s n )+ d(s n,s 1 ) |CET| |ET| |TSP| |CET| |ET|=2|OPT| APP= |MST|<|TSP| APP<2|OPT|

42 5 - 42 The Minimal Spanning Tree Preservation Approach for Evolution Construction Finding an unrooted evolution tree with a given distance matrix The condition for our minimal spanning tree approach for the evolution tree construction problem is that MST(D) is an MST(D t )

43 5 - 43 Example (1) A new distance matrix 123456 1037141616.8 204111314 307910.3 4025.4 505 60

44 5 - 44 Example (2) A minimal spanning tree constructed out of the new distance matrix e(4,5)=2, e(1,2)=3, e(2,3)=4, e(5,6)=5, e(3,4)=7

45 5 - 45 Example (3) Construct the evolution tree e(4,5)=2, e(1,2)=3, e(2,3)=4, e(5,6)=5, e(3,4)=7

46 5 - 46 Example (4) Construct the evolution tree e(4,5)=2, e(1,2)=3, e(2,3)=4, e(5,6)=5, e(3,4)=7

47 5 - 47 Example (5) Construct the evolution tree e(4,5)=2, e(1,2)=3, e(2,3)=4, e(5,6)=5, e(3,4)=7

48 5 - 48 Example (6) distance matrix 123456 1037141616.8 204111314 307910.3 4025.4 505 60

49 5 - 49 Example (7) Construct the evolution tree e(4,5)=2, e(1,2)=3, e(2,3)=4, e(5,6)=5, e(3,4)=7

50 5 - 50 Example (8) distance matrix 123456 1037141616.8 204111314 307910.3 4025.4 505 60

51 5 - 51 Example (9) Construct the evolution tree e(4,5)=2, e(1,2)=3, e(2,3)=4, e(5,6)=5, e(3,4)=7

52 5 - 52 Example (10) A new distance matrix 123456 1037141616.8 204111314 307910.3 4025.4 505 60

53 5 - 53 Example (11) The distance matrix Dt Based on the evolution tree 123456 103716.8 207 30 4025.4 50 60

54 5 - 54 Example (12) A minimal spanning tree based on Dt

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