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overlapping correlation clustering
                                 francesco bonchi
                                     aris gionis
                                   antti ukkonen

                             yahoo! research barcelona




Monday, September 26, 2011
overlapping clusters are very natural

                         - social networks

                         - proteins

                         - documents



                                                              2
Monday, September 26, 2011
most clustering algorithms produce
                      disjoint partitions




                                                           3
Monday, September 26, 2011
overlapping is conceptually challenging to
                      formulate

                         - why assign a point to a further center?

                         - why/how to generate less good clusters?




                                                                     4
Monday, September 26, 2011
correlation clustering

                                   
                       Ccc () =       |s(u, v) − I((u) = (v))|




                                                                    5
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6
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1




                                 7
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0




                                 8
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0.33
                                    ???




                                          9
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0.33




                                    10
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0.33




                        multiple labels = multi-cluster assignment



                                                                     10
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0.5




                                   11
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0.67




                                    12
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54167/108301
                                            ???




                                                  13
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overlapping correlation clustering

                                     
                        Cocc () =       |s(u, v) − H((u), (v))|




                                                                     14
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comparing sets of labels H((u), (v))

                         - Jaccard coefficient

                         - set intersection indicator




                                                               15
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overlapping
                     correlation clustering   correlation clustering




                                                                   16
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overlapping
                     correlation clustering          correlation clustering


                                     set of labels L, |L| = k




                                                                          16
Monday, September 26, 2011
overlapping
                     correlation clustering          correlation clustering


                                     set of labels L, |L| = k


                             (u) ∈ L                      (u) ⊆ L




                                                                          16
Monday, September 26, 2011
overlapping
                     correlation clustering            correlation clustering


                                     set of labels L, |L| = k


                             (u) ∈ L                        (u) ⊆ L
                                        
                              C() =        |s(u, v) − H((u), (v))|




                                                                            16
Monday, September 26, 2011
overlapping
                     correlation clustering            correlation clustering


                                     set of labels L, |L| = k


                             (u) ∈ L                        (u) ⊆ L
                                        
                              C() =        |s(u, v) − H((u), (v))|


                                                            |(u)| ≤ p

                                                                            16
Monday, September 26, 2011
dimensionality reduction

                         - mapping to sets instead of vectors




                                                                17
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18
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18
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18
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18
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18
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18
Monday, September 26, 2011
v

                       u
                                     y
                             x




                                         19
Monday, September 26, 2011
v

                       u
                                     y
                             x           (u,v)



                                             (x,y)


                                                     19
Monday, September 26, 2011
u∈V {v}

            expresses the error incurred by vertex v when it has the labels          Now, giv
            (v), and the remaining nodes are labeled according to . The            J(X, Sj
            subscript p in Cv,p serves to remind us that the set (v) should
            have at most p labels. Our general local-search strategy is
            summarized in Algorithm 1.

            Algorithm 1 LocalSearch                                                  which is
             1: initialize  to a valid labeling;
             2: while Cocc (V, ) decreases do
             3:    for each v ∈ V do
                                                                                     and we
             4:       find the label set L that minimizes Cv,p (L | );
                                                                                     We obse
             5:       update  so that (v) = L;
                                                                                     to the un
             6: return 
                                                                                     xi and t
                                                                                     Equation
              Line 4 is the step in which LocalSearch seeks to find an
                                                                                     propose
            optimal set of labels for an object v by solving Equation (3).
                                                                                     constrain
            This is also the place that our framework differentiates be-
                                                                                     squares
            tween the measures of Jaccard coefficient and set-intersection.
                                                                                     optimiza
                      B. Local step for Jaccard coefficient                           variables
                           Problem 3 (JACCARD - TRIANGULATION): Consider the set20      The s
                      {S , z }
Monday, September 26, 2011
                                        , where S are subsets of a ground set U =    drawbac
Jaccard triangulation

                      given {Sj , zj }j=1...n

                      find X ⊆ U

                      to minimize
                                                            n
                                                            
                             d(X, {Sj , zj }j=1...n ) =         |J(X, Sj ) − zj |
                                                            j=1



                                                                                      21
Monday, September 26, 2011
set-intersection indicator

                      hit-n-miss sets
                             √
                       O( n log n) approximation

                      greedy approach



                                                   22
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experimental evaluation




                                                23
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EMOTION: 593 objects, 6 labels

                      YEAST:   2417 objects, 14 labels




                                                         24
Monday, September 26, 2011
EMOTION                                                                      YEAST
                           0.2                                1                                      0.2                                     1




                                                                    Precision  Recall




                                                                                                                                                   Precision  Recall
               Cost/edge




                                                                                         Cost/edge
                                                         cost                                                                          cost
                           0.1                           prec 0.8                                    0.1                               prec 0.9
                                                         rec                                                                           rec



                            0                                0.6                                      0                                      0.8
                             2        4      6       8      10                                                 5           10     15        20
                                             k                                                                               k
                                          EMOTION                                                                      YEAST                                            F
                           0.1                                1                                                                              1
                                                                                                                                                                        r

                                                                    Precision  Recall




                                                                                                                                                   Precision  Recall
                                                                                                                                                                        I
               Cost/edge




                                                                                         Cost/edge
                                                         cost                                        0.1                               cost
                                                         prec 0.5                                                                      prec 0.9
                                                         rec                                                                           rec                              c
                                                                                                                                                                        p
                                                                                                                                                                        d
                            0                                 0                                       0                                      0.8
                                  2
                                             p
                                                 4           6                                             2       4   6
                                                                                                                             p
                                                                                                                              8   10   12   14                          s
                                                                                                                                                                        t
             Fig. 1.             Cost per edge, precision and recall of OCC-JACC as a function of
                                                                                         25
Monday, September 26, 2011
EMOTION                                                                  YEAST
                  0.05                             0.6                                    0.04                                1




                                                         Precision  Recall




                                                                                                                                   Precision  Recall
                                                   0.4
      Cost/edge




                                                                              Cost/edge
                                               cost                                                                    cost
                                               prec                                       0.03                         prec
                                               rec 1                                                                   rec

                                                   0.8
                    0                                                                     0.02                               0.8
                    0.01     0.02       0.03     0.04                                            0.01   0.02    0.03      0.04
                                    q                                                                     q

     Fig. 3. Pruning experiment using OCC-JACC. Cost/edge and precision and
     recall as a function of the pruning threshold q.


     In fact, the results for YEAST shown in figures 1 and 2 were
                                                          26
     computed with q = 0.05. In terms of computational speedup
Monday, September 26, 2011
protein clustering

                         - pairwise similarities based on matching of
                           amino-acid sequences

                         - compare using a hand-made taxonomy




                                                                  27
Monday, September 26, 2011
TABLE II
            Precision, recall, and their harmonic mean F-score, for non-overlapping                   C
                                     non-overlapping
          clusterings of protein sequence datasets computed using SCPS [14] and the
               OCC algorithms. BL is the precision of a baseline that assigns all
                                  sequences to the same cluster.

                              BL                  SCPS          OCC-ISECT              OCC-JACC
             dataset         prec   prec/recall/F-score   prec/recall/F-score   prec/recall/F-score
                 D1          0.21   0.56 / 0.82 / 0.664   0.70 / 0.67 / 0.683   0.57 / 0.55 / 0.561
                 D2          0.17   0.59 / 0.89 / 0.708   0.86 / 0.83 / 0.844   0.64 / 0.63 / 0.637
                 D3          0.38   0.93 / 0.88 / 0.904   0.81 / 0.43 / 0.558   0.73 / 0.39 / 0.505
                 D4          0.14   0.30 / 0.64 / 0.408   0.64 / 0.56 / 0.598   0.44 / 0.39 / 0.412


            Summarizing: C3 and C4 contain elks and deer that stay
         away from cattle (C3 moving in higher X than C4 ); C1 also
         contains only elks and deer, but those moves in the higher Y                                 ex
         area where also the cattles move; C2 is the cattle cluster and                               co
         it contains also few elks and deer; finally C5 is another mixed                               be
         cluster which overlaps with C2 only for the cattle and28with
Monday, September 26, 2011
overlapping
                                                     TABLE III
erlapping               Comparing clusterings cost based on distance on the SCOP taxonomy, for
 4] and the                different values of p, the maximum number of labels per protein.
gns all
                                   SCPS     OCC-ISECT-p1   OCC-ISECT-p2     OCC-ISECT-p3
                              D1   0.231           0.196          0.194            0.193
OCC-JACC                      D2   0.188           0.112          0.107            0.106
call/F-score                  D3   0.215           0.214          0.214            0.231
 .55 / 0.561                  D4   0.289           0.139          0.133            0.139
 .63 / 0.637                       SCPS     OCC-JACC-p1    OCC-JACC-p2      OCC-JACC-p3
 .39 / 0.505
 .39 / 0.412                  D1   0.231           0.208          0.202            0.205
                              D2   0.188           0.137          0.130            0.127
                              D3   0.215           0.243          0.242            0.221
that stay                     D4   0.289           0.158          0.141            0.152
 C1 also
higher Y              extremely close in the taxonomy, the error should have a small
uster and             cost. Following this intuition we define the SCOP similarity
er mixed              between two proteins as follows:
and with                                                  d(lca(u, v))
                                           sim(u, v) =                     ,               (8)
                                                       max(d(u), d(v)) − 1                  29
 Monday, September 26, 2011
future work

                         - scaling up

                         - approximation algorithm

                         - jaccard triangulation

                         - more experimentation and applications


                                                                   30
Monday, September 26, 2011
thank you!




Monday, September 26, 2011

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Overlapping correlation clustering

  • 1. overlapping correlation clustering francesco bonchi aris gionis antti ukkonen yahoo! research barcelona Monday, September 26, 2011
  • 2. overlapping clusters are very natural - social networks - proteins - documents 2 Monday, September 26, 2011
  • 3. most clustering algorithms produce disjoint partitions 3 Monday, September 26, 2011
  • 4. overlapping is conceptually challenging to formulate - why assign a point to a further center? - why/how to generate less good clusters? 4 Monday, September 26, 2011
  • 5. correlation clustering Ccc () = |s(u, v) − I((u) = (v))| 5 Monday, September 26, 2011
  • 7. 1 7 Monday, September 26, 2011
  • 8. 0 8 Monday, September 26, 2011
  • 9. 0.33 ??? 9 Monday, September 26, 2011
  • 10. 0.33 10 Monday, September 26, 2011
  • 11. 0.33 multiple labels = multi-cluster assignment 10 Monday, September 26, 2011
  • 12. 0.5 11 Monday, September 26, 2011
  • 13. 0.67 12 Monday, September 26, 2011
  • 14. 54167/108301 ??? 13 Monday, September 26, 2011
  • 15. overlapping correlation clustering Cocc () = |s(u, v) − H((u), (v))| 14 Monday, September 26, 2011
  • 16. comparing sets of labels H((u), (v)) - Jaccard coefficient - set intersection indicator 15 Monday, September 26, 2011
  • 17. overlapping correlation clustering correlation clustering 16 Monday, September 26, 2011
  • 18. overlapping correlation clustering correlation clustering set of labels L, |L| = k 16 Monday, September 26, 2011
  • 19. overlapping correlation clustering correlation clustering set of labels L, |L| = k (u) ∈ L (u) ⊆ L 16 Monday, September 26, 2011
  • 20. overlapping correlation clustering correlation clustering set of labels L, |L| = k (u) ∈ L (u) ⊆ L C() = |s(u, v) − H((u), (v))| 16 Monday, September 26, 2011
  • 21. overlapping correlation clustering correlation clustering set of labels L, |L| = k (u) ∈ L (u) ⊆ L C() = |s(u, v) − H((u), (v))| |(u)| ≤ p 16 Monday, September 26, 2011
  • 22. dimensionality reduction - mapping to sets instead of vectors 17 Monday, September 26, 2011
  • 29. v u y x 19 Monday, September 26, 2011
  • 30. v u y x (u,v) (x,y) 19 Monday, September 26, 2011
  • 31. u∈V {v} expresses the error incurred by vertex v when it has the labels Now, giv (v), and the remaining nodes are labeled according to . The J(X, Sj subscript p in Cv,p serves to remind us that the set (v) should have at most p labels. Our general local-search strategy is summarized in Algorithm 1. Algorithm 1 LocalSearch which is 1: initialize to a valid labeling; 2: while Cocc (V, ) decreases do 3: for each v ∈ V do and we 4: find the label set L that minimizes Cv,p (L | ); We obse 5: update so that (v) = L; to the un 6: return xi and t Equation Line 4 is the step in which LocalSearch seeks to find an propose optimal set of labels for an object v by solving Equation (3). constrain This is also the place that our framework differentiates be- squares tween the measures of Jaccard coefficient and set-intersection. optimiza B. Local step for Jaccard coefficient variables Problem 3 (JACCARD - TRIANGULATION): Consider the set20 The s {S , z } Monday, September 26, 2011 , where S are subsets of a ground set U = drawbac
  • 32. Jaccard triangulation given {Sj , zj }j=1...n find X ⊆ U to minimize n d(X, {Sj , zj }j=1...n ) = |J(X, Sj ) − zj | j=1 21 Monday, September 26, 2011
  • 33. set-intersection indicator hit-n-miss sets √ O( n log n) approximation greedy approach 22 Monday, September 26, 2011
  • 34. experimental evaluation 23 Monday, September 26, 2011
  • 35. EMOTION: 593 objects, 6 labels YEAST: 2417 objects, 14 labels 24 Monday, September 26, 2011
  • 36. EMOTION YEAST 0.2 1 0.2 1 Precision Recall Precision Recall Cost/edge Cost/edge cost cost 0.1 prec 0.8 0.1 prec 0.9 rec rec 0 0.6 0 0.8 2 4 6 8 10 5 10 15 20 k k EMOTION YEAST F 0.1 1 1 r Precision Recall Precision Recall I Cost/edge Cost/edge cost 0.1 cost prec 0.5 prec 0.9 rec rec c p d 0 0 0 0.8 2 p 4 6 2 4 6 p 8 10 12 14 s t Fig. 1. Cost per edge, precision and recall of OCC-JACC as a function of 25 Monday, September 26, 2011
  • 37. EMOTION YEAST 0.05 0.6 0.04 1 Precision Recall Precision Recall 0.4 Cost/edge Cost/edge cost cost prec 0.03 prec rec 1 rec 0.8 0 0.02 0.8 0.01 0.02 0.03 0.04 0.01 0.02 0.03 0.04 q q Fig. 3. Pruning experiment using OCC-JACC. Cost/edge and precision and recall as a function of the pruning threshold q. In fact, the results for YEAST shown in figures 1 and 2 were 26 computed with q = 0.05. In terms of computational speedup Monday, September 26, 2011
  • 38. protein clustering - pairwise similarities based on matching of amino-acid sequences - compare using a hand-made taxonomy 27 Monday, September 26, 2011
  • 39. TABLE II Precision, recall, and their harmonic mean F-score, for non-overlapping C non-overlapping clusterings of protein sequence datasets computed using SCPS [14] and the OCC algorithms. BL is the precision of a baseline that assigns all sequences to the same cluster. BL SCPS OCC-ISECT OCC-JACC dataset prec prec/recall/F-score prec/recall/F-score prec/recall/F-score D1 0.21 0.56 / 0.82 / 0.664 0.70 / 0.67 / 0.683 0.57 / 0.55 / 0.561 D2 0.17 0.59 / 0.89 / 0.708 0.86 / 0.83 / 0.844 0.64 / 0.63 / 0.637 D3 0.38 0.93 / 0.88 / 0.904 0.81 / 0.43 / 0.558 0.73 / 0.39 / 0.505 D4 0.14 0.30 / 0.64 / 0.408 0.64 / 0.56 / 0.598 0.44 / 0.39 / 0.412 Summarizing: C3 and C4 contain elks and deer that stay away from cattle (C3 moving in higher X than C4 ); C1 also contains only elks and deer, but those moves in the higher Y ex area where also the cattles move; C2 is the cattle cluster and co it contains also few elks and deer; finally C5 is another mixed be cluster which overlaps with C2 only for the cattle and28with Monday, September 26, 2011
  • 40. overlapping TABLE III erlapping Comparing clusterings cost based on distance on the SCOP taxonomy, for 4] and the different values of p, the maximum number of labels per protein. gns all SCPS OCC-ISECT-p1 OCC-ISECT-p2 OCC-ISECT-p3 D1 0.231 0.196 0.194 0.193 OCC-JACC D2 0.188 0.112 0.107 0.106 call/F-score D3 0.215 0.214 0.214 0.231 .55 / 0.561 D4 0.289 0.139 0.133 0.139 .63 / 0.637 SCPS OCC-JACC-p1 OCC-JACC-p2 OCC-JACC-p3 .39 / 0.505 .39 / 0.412 D1 0.231 0.208 0.202 0.205 D2 0.188 0.137 0.130 0.127 D3 0.215 0.243 0.242 0.221 that stay D4 0.289 0.158 0.141 0.152 C1 also higher Y extremely close in the taxonomy, the error should have a small uster and cost. Following this intuition we define the SCOP similarity er mixed between two proteins as follows: and with d(lca(u, v)) sim(u, v) = , (8) max(d(u), d(v)) − 1 29 Monday, September 26, 2011
  • 41. future work - scaling up - approximation algorithm - jaccard triangulation - more experimentation and applications 30 Monday, September 26, 2011