Lecture 20: Autofocus & Protein Sequence Design
Autofocus, Foreground and background differentiation:
Given a 2d array of pixels with scores ai representing the likelyhood that pixel i is in the foreground, bi representing the likelyhood that i is in the background, and pij representing a penalty on adjacent pixels who are not both in the foreground or both in the backgroun, we can partition the pixels into two sets, A and B, such that we maximize:
q(A, B) = sum(ai in A) + sum(bj in B) - sum(pij adjacent and not in same set)
This is equivalent to minimizing:
q’(A, B) = sum(bi in A) + sum(aj in B) + sum(pij adjacent and not in same set)
Graph G = (V,E):
1) A vertex for each pixel, s, t
2) An edge from s to each pixel j with capacity aj
3) An edge from each pixel i with capacity bi to t
4) For adjacent pixels i, j an edge from i->j and j->i of capacity pij

Imagine that you pay aj for j in B, bi for i in A, and pij for adjacent pixels. The min-cut (max flow) is the minimization of these sets.
Protein Sequence Design: [Kleinberg ‘99]
The protein folding problem: given a sequence of amino acids, we want to predict the protein structure. From the other direction, given a particular protein fold, what is the best sequence of amino acids to fit it? If we reduce the set of amino acids to hydrophilic / polar (hydrophobic), we have a reasonable problem.
Let H be the set of amino acids that are hydrophilic, and a < 0, B > 0. Then:
q(H) = a*(# of h->h contacts) + B * sum(exposed surface of residue) for all i in H
We can rewrite q(H) as:
q(H) = a*(# of all contacts) + |a| * (# of contacts not h->h) + B * sum(exposed surface of residue) for all i in H
Our goal is to minimize
q(H) = |a|*(# of contacts not h->h) + sum(Si) for all i in H
Graph G = (V,E):
1) A vertex i for each amino acid, s, t, and cij for all contacts
2) An edge s->cij for all i, j with capacity |a|
3) An edge cij->i,j with infinite capacity
4) An edge i->t with capacity B - Si

The cost of the cut:
sum(B*S(i)) for all i in A + sum(|a|) for all cij with i or j in B
This entry was posted on Wednesday, March 9th, 2005 at 1:02 pm and is tagged with 2d array, protein sequence, sequence of amino acids, protein structure, sequence design, pij, backgroun, likelyhood, max flow, cij, autofocus, minimization, vertex, foreground and background, amino acid, differentiation, aj, pixel, bj, partition. You can follow any responses to this entry through the RSS 2.0 feed. You can leave a response, or trackback.
Leave a Reply
Please take time to enjoy the archives: May 2005 (1) April 2005 (11) March 2005 (11) February 2005 (15) January 2005 (7)
Fresh, related resources:
- There were no results.
