complexities for generalized models of self-assembly

62
Complexities for Generalized Models of Self-Assembly Gagan Aggarwal Stanford University Michael H. Goldwasser St. Louis University Ming-Yang Kao Northwestern University Robert T. Schweller Northwestern University Some results were obtained independantly by Cheng, Espanes 2003

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Complexities for Generalized Models of Self-Assembly. Gagan Aggarwal Stanford University Michael H. Goldwasser St. Louis University Ming-Yang Kao Northwestern University Robert T. Schweller Northwestern University. Some results were obtained independantly by Cheng, Espanes 2003. - PowerPoint PPT Presentation

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Page 1: Complexities for Generalized Models of Self-Assembly

Complexities for Generalized Models of Self-Assembly

Gagan Aggarwal Stanford University

Michael H. Goldwasser St. Louis University

Ming-Yang Kao Northwestern University

Robert T. Schweller Northwestern University

Some results were obtained independantly by Cheng, Espanes 2003

Page 2: Complexities for Generalized Models of Self-Assembly

},...,1,0{: tG

},,,{ sTGt

Tile Model of Self-Assembly(Rothemund, Winfree STOC 2000)

Tile System:

t : temperature, positive integer

G: glue function

T: tileset , , ... { }r

r

w

g

p

y yb

r

b

r

b,

s: seed tile

Page 3: Complexities for Generalized Models of Self-Assembly

How a tile system self assembles

x dc

baST = G(y,y) = 2G(g,g) = 2G(r, r) = 2G(b,b) = 2G(p,p) = 1G(w,w) = 1

t = 2

S

Page 4: Complexities for Generalized Models of Self-Assembly

S a

How a tile system self assembles

x dc

baST = G(y,y) = 2G(g,g) = 2G(r, r) = 2G(b,b) = 2G(p,p) = 1G(w,w) = 1

t = 2

Page 5: Complexities for Generalized Models of Self-Assembly

S a

c

How a tile system self assembles

x dc

baST = G(y,y) = 2G(g,g) = 2G(r, r) = 2G(b,b) = 2G(p,p) = 1G(w,w) = 1

t = 2

Page 6: Complexities for Generalized Models of Self-Assembly

S a

c

d

How a tile system self assembles

x dc

baST = G(y,y) = 2G(g,g) = 2G(r, r) = 2G(b,b) = 2G(p,p) = 1G(w,w) = 1

t = 2

Page 7: Complexities for Generalized Models of Self-Assembly

S a b

c

d

How a tile system self assembles

x dc

baST = G(y,y) = 2G(g,g) = 2G(r, r) = 2G(b,b) = 2G(p,p) = 1G(w,w) = 1

t = 2

Page 8: Complexities for Generalized Models of Self-Assembly

S a b

c

d

x

How a tile system self assembles

x dc

baST = G(y,y) = 2G(g,g) = 2G(r, r) = 2G(b,b) = 2G(p,p) = 1G(w,w) = 1

t = 2

Page 9: Complexities for Generalized Models of Self-Assembly

S a b

c

d

x x

How a tile system self assembles

x dc

baST = G(y,y) = 2G(g,g) = 2G(r, r) = 2G(b,b) = 2G(p,p) = 1G(w,w) = 1

t = 2

Page 10: Complexities for Generalized Models of Self-Assembly

S a b

c

d

x x

x

How a tile system self assembles

x dc

baST = G(y,y) = 2G(g,g) = 2G(r, r) = 2G(b,b) = 2G(p,p) = 1G(w,w) = 1

t = 2

Page 11: Complexities for Generalized Models of Self-Assembly

S a b

c

d

x x

x x

How a tile system self assembles

x dc

baST = G(y,y) = 2G(g,g) = 2G(r, r) = 2G(b,b) = 2G(p,p) = 1G(w,w) = 1

t = 2

Page 12: Complexities for Generalized Models of Self-Assembly

New Models• Multiple Temperature Model

– temperature may go up and down

• Flexible Glue Model– Remove the restriction that G(x, y) = 0 for x!=y

• Multiple Tile Model– tiles may cluster together before being added

• Unique Shape Model– unique shape vs. unique supertile

Page 13: Complexities for Generalized Models of Self-Assembly

New Models• Multiple Temperature Model

– temperature may go up and down

• Flexible Glue Model– Remove the restriction that G(x, y) = 0 for x!=y

• Multiple Tile Model– tiles may cluster together before being added

• Unique Shape Model– unique shape vs. unique supertile

Page 14: Complexities for Generalized Models of Self-Assembly

New Models• Multiple Temperature Model

– temperature may go up and down

• Flexible Glue Model– Remove the restriction that G(x, y) = 0 for x!=y

• Multiple Tile Model– tiles may cluster together before being added

• Unique Shape Model– unique shape vs. unique supertile

Page 15: Complexities for Generalized Models of Self-Assembly

New Models• Multiple Temperature Model

– temperature may go up and down

• Flexible Glue Model– Remove the restriction that G(x, y) = 0 for x!=y

• Multiple Tile Model– tiles may cluster together before being added

• Unique Shape Model– unique shape vs. unique supertile

Page 16: Complexities for Generalized Models of Self-Assembly

Focus of Talk• Multiple Temperature Model

– Adjust temperature during assembly

• Flexible Glue Model– Remove the restriction that G(x, y) = 0 for x!=y

Goal: Reduce Tile Complexity

Page 17: Complexities for Generalized Models of Self-Assembly

Our Tile Complexity Results

Multiple temperature model:

k x N rectangles: )loglog

log(

N

N

beats standard model: )(/1

k

N k

Flexible Glue:

N x N squares: )log( N

beats standard model: )loglog

log(

N

N (Adleman, Cheng,

Goel, Huang STOC 2001)

(our paper)

(our paper)

(our paper)

Page 18: Complexities for Generalized Models of Self-Assembly

Building k x N Rectangles

k-digit, base N(1/k) counter:0

0

0

S0

0

0

0

1 2

0

0

0

0

0

1

0

0

0

1

1

2

2

2

2

2

2

2

1

2

2

2

0

. . .k

N

k

N

Page 19: Complexities for Generalized Models of Self-Assembly

Building k x N Rectangles

k-digit, base N(1/k) counter:0

0

0

S0

0

0

0

1 2

0

0

0

0

0

1

0

0

0

1

1

2

2

2

2

2

2

2

1

2

2

2

0

. . .k

N

0

0

0

S0

0

0

0

1 2

0

0

0

0

0

1

0

0

0

1

1

2

2

2

2

2

2

2

1

2

2

2

0

. . .k

N

)N( /1 kkO Tile Complexity:

N

k

Page 20: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0

g g p

Build a 4 x 256 rectangle: t = 2

C0

g

S3

S2 0

0

S

S1

Page 21: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0 1 2 30

g g p

Build a 4 x 256 rectangle: t = 2

C0

g

S3

S2 0

0

0 0

g

g

S C1 C2 C3

S1

S2

S3

S1

00

0

0g g p

Page 22: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0 1 2 30

g g p

Build a 4 x 256 rectangle: t = 2

C0

g

g g

S3

S2 0

0 1

0 0

g

g

p r0

S C1 C2 C3

S1 0 0

S2

S3

0 0

0 0

0 1

S1

p

Page 23: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0 1 2 30

g g p

Build a 4 x 256 rectangle: t = 2

C0

g

g g

S3

S2 0

0 1

0 0

g

g

p r0

S C1 C2 C3

S1 0 0 0 1

S2

S3

0 0

0 0

0 1

S1

g g

Page 24: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0 1 2 30

g g p

Build a 4 x 256 rectangle: t = 2

C0

g

g g

S3

S2 0

0 1

0 0

g

g

p r0

S C1 C2 C3

S1 0 0 0 1

S2

S3

0 0

0 0

0 1

S1

C0 C1 C2 C3

0 0

0 0

p

Page 25: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0 1 2 30

g g p

Build a 4 x 256 rectangle: t = 2

C0

g

g g

S3

S2 0

0 1

0 0

g

g

p r0

S C1 C2 C3

S1 0 0 0 1

S2

S3

0 0

0 0

0 1

S1

C0 C1 C2 C3

0 0

0 0

p1 1

0 0

0 0

1 2

2 3

Page 26: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0 1 2 30

g g p

1 2

Pp

3

Build a 4 x 256 rectangle: t = 2

C0

g

g g

R 0

p r

r

S3

S2 0

0 1

2 3

0 0

g

g

p r0

S C0C1 C2 C3

S1 0 0 0 1

C1 C2 C3

1 1 2 2 3 31 2 2 3

S2

S3

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

C0 C1 C2 C3 C0 C1 C2 C3

0 1

S1

p

Page 27: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0 1 2 30

g g p

1 2

Pp

3

Build a 4 x 256 rectangle: t = 2

C0

g

g g

R 0

p r

r

S3

S2 0

0 1

2 3

0 0

g

g

p r0

S C0C1 C2 C3

S1 0 0 0 1

C1 C2 C3

1 1 2 2 3 31 2 2 3

S2

S3

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

P

C0 C1 C2 C3 C0 C1 C2 C3

0 1

S1

Page 28: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0 1 2 30

g g p

1 2

Pp

3

Build a 4 x 256 rectangle: t = 2

C0

g

g g

R 0

p r

r

S3

S2 0

0 1

2 3

0 0

g

g

p r0

S C0C1 C2 C3

S1 0 0 0 1

C1 C2 C3

1 1 2 2 3 31 2 2 3

S2

S3

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

P

0 1

C0 C1 C2 C3 C0 C1 C2 C3

0 1

S1

Page 29: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0 1 2 30

g g p

1 2

Pp

3

Build a 4 x 256 rectangle: t = 2

C0

g

g g

R 0

p r

r

S3

S2 0

0 1

2 3

0 0

g

g

p r0

S C0C1 C2 C3

S1 0 0 0 1

C1 C2 C3

1 1 2 2 3 31 2 2 3

S2

S3

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

P

0 1

C0 C1 C2 C3 C0 C1 C2 C3

0 1

S1

R

Page 30: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0 1 2 30

g g p

1 2

Pp

3

Build a 4 x 256 rectangle: t = 2

C0

g

g g

R 0

p r

r

S3

S2 0

0 1

2 3

0 0

g

g

p r0

S C0C1 C2 C3

S1 0 0 0 1

C1 C2 C3

1 1 2 2 3 31 2 2 3

S2

S3

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

P

0 1

C0 C1 C2 C3 C0 C1 C2 C3

0 1

S1

R

C0 C1 C2…

Page 31: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0 1 2 30

g g p

1 2

Pp

3

Build a 4 x 256 rectangle: t = 2

C0

g

g g

R 0

p r

r

S3

S2 0

0 1

2 3

0 0

g

g

p r0

S C0C1 C2 C3

S1 0 0 0 1

C1 C2 C3

1 1 2 2 3 31 2 2 3

S2

S3

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

0 0

P

0 1

R…

0 0

1 1

0 0 0 0

C0 C1 C2 C3 C0 C1 C2 C3 C0 C1 C2

0 1

S1

Page 32: Complexities for Generalized Models of Self-Assembly

S

C1 C2 C3

0 1 2 30

g g p

1 2

Pp

3

Build a 4 x 256 rectangle: t = 2

C0

g

g g

R 0

p r

r

S3

S2 0

0 1

2 3

0 0

g

g

p r00 1

2 2 3 P

P

P

3 3

3 3

3 3

3 3

3 3

21 2

3 3

3 3

3 3

3 3

110 1

3 3

3 3

3 3

3 3

00

3 3

3 3

32

RP

33 3

2

3

3

2

3

C1 C2 C3 C0 C1 C2 C3 C0 C1 C2 C3 C0 C1 C2 C3C0C1 C2 C3

S1

Page 33: Complexities for Generalized Models of Self-Assembly

Building k x N Rectangles

k-digit, base N(1/k) counter:0

0

0

S0

0

0

0

1 2

0

0

0

0

0

1

0

0

0

1

1

2

2

2

2

2

2

2

1

2

2

2

0

. . .k

N

0

0

0

S0

0

0

0

1 2

0

0

0

0

0

1

0

0

0

1

1

2

2

2

2

2

2

2

1

2

2

2

0

. . .k

N

)N( /1 kkO Tile Complexity:

N

k

Page 34: Complexities for Generalized Models of Self-Assembly

2-temperature model

3

3

3

1

t = 4

k

N

j

k

N

j

Page 35: Complexities for Generalized Models of Self-Assembly

2-temperature model

t = 4 6

k

N

j

Page 36: Complexities for Generalized Models of Self-Assembly

2-temperature model

k

N

)( /1 jNjO )loglog

log(

N

NO

)loglog

log(

N

NKolmogorov Complexity (Rothemund,

Winfree STOC 2000)

Beats Standard Model )(/1

k

N k

k

N

(our paper)

(our paper)

Page 37: Complexities for Generalized Models of Self-Assembly

Assembly of N x N Squares

Page 38: Complexities for Generalized Models of Self-Assembly

Assembly of N x N Squares

kN - k

N - k

k

Page 39: Complexities for Generalized Models of Self-Assembly

Assembly of N x N Squares

kN - k

N - k

X

Y

k

)loglog

log(

N

N

Complexity:

(Adleman, Cheng,Goel, Huang STOC 2001)

Page 40: Complexities for Generalized Models of Self-Assembly

N x N Squares --- Flexible Glue Model

a b c d e fa 1 0 2 0 0 1b 0 0 1 0 1 0c 0 0 3 0 1 1d 2 2 2 2 0 1e 0 0 0 1 2 1f 1 1 2 2 1 1

a b c d e fa 1 - - - - -b - 0 - - - -c - - 3 - - -d - - - 2 - -e - - - - 2 -f - - - - - 1

Standard Glue Function Flexible Glue Function

Kolmogorov lower bounds:

)loglog

log(

N

N

)log( N

Standard

Flexible

(Rothemund, Winfree STOC 2000)

Page 41: Complexities for Generalized Models of Self-Assembly

N x N Square --- Flexible Glue Model

log N

N – log N

seed row

Page 42: Complexities for Generalized Models of Self-Assembly

N x N Square --- Flexible Glue Model

log N

N – log N

seed row

)(log)(

2

log

/1

/1

NONkO

N

Nk

k

k

Complexity:

Page 43: Complexities for Generalized Models of Self-Assembly

N x N Square --- Flexible Glue Model

goal: - seed binary counter to a given value

-

2

log N

0 1 0 0 0 0 0 01 1 1 1 1 1 1 1 1 1

)log( NO

Page 44: Complexities for Generalized Models of Self-Assembly

. . . 3 3 3 4 4 4 4 4 4 5 5 5 53 4 5 0 1 2 3 4 5 0 1 2 3 4 5

5

N x N Square --- Flexible Glue Model

Page 45: Complexities for Generalized Models of Self-Assembly

. . . 3 3 3 4 4 4 4 4 4 5 5 5 53 4 5 0 1 2 3 4 5 0 1 2 3 4 5

0 0 1 1 0 1 1 0 0 1 1 1 0 | | | | | | | | | | | | |

5

5

N x N Square --- Flexible Glue Model

key idea:

Page 46: Complexities for Generalized Models of Self-Assembly

4 53

555

21b4

5

5

w5

p5

G(b4, p5) = 1G(b4, w5) = 0

N x N Square --- Flexible Glue Model

Page 47: Complexities for Generalized Models of Self-Assembly

p0 p1 p2 p3 p4 p5b0 0 1 1 0 1 1b1 1 1 0 1 0 1b2 0 1 0 1 1 1b3 0 0 1 0 1 0b4 0 0 0 0 0 1b5 1 1 1 1 1 0

• given B = 011011 110101 010111 …

• encode B into glue function

B = 011011 110101 010111 …

N x N Square --- Flexible Glue Model

4b4

5p5

Page 48: Complexities for Generalized Models of Self-Assembly

• Complexity: )log( NO

0 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 0 1 0 1

Nlog2• build block

N x N Square --- Flexible Glue Model

Page 49: Complexities for Generalized Models of Self-Assembly

0 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 0 1 0 10 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 0 1 1 00 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 0 1 1 10 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 00 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 10 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 1 00 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 1 10 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 00 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 10 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 1 0

Page 50: Complexities for Generalized Models of Self-Assembly

2 x log N block

N – log N

log N

Page 51: Complexities for Generalized Models of Self-Assembly

N – log N

N – log Nlog N

log N

Page 52: Complexities for Generalized Models of Self-Assembly

N – log N

N – log N

X

Y

log N

log N

)log( N

Complexity:

Page 53: Complexities for Generalized Models of Self-Assembly

Shape Verification

Unique Shape Problem

Input: T, a tile system S, a shape

Question: Does T uniquely assemble S.

Standard: P (Adleman, Cheng, Goel, Huang, Kempe,

Flexible Glue: P Espanes, Rothemund, STOC 2002)

Unique Shape: Co-NPC (our paper)

Multiple Temperature: NP-hard (our paper)

Multiple Tile: Co-NPC (our paper)

Page 54: Complexities for Generalized Models of Self-Assembly

x1

* *

x2

x3

* T T T T

ok

ok

ok

okok

ok

c2c1

c2

c2

c3 *

*

*

*

c10

1

1

SAT

x1

* *

x2

x3

* T T F F

ok

ok

ok

c2ok

ok

c2c1

c2

c2

c3 *

*

*

*

c10

0

1

Satisfied Not Satisfied

(LaBean and Lagoudakis, 1999)

Unique-Shape Model

Page 55: Complexities for Generalized Models of Self-Assembly

* *

x1

x2

x3

c1 c2 c3

*

*

*

*

*

* *

x1

x2

x3

c1 c2 c3

*

*

*

*

*

Satisfied Not Satisfied

**

Multiple Temperature Model

Page 56: Complexities for Generalized Models of Self-Assembly

* *

x1

x2

x3

c1 c2 c3

*

*

0

1

c1

ok

c2

c2

1

T

ok

T

ok

ok

ok

T

ok

T

*

*

*

SAT

*

*

*

* *

x1

x2

x3

c1 c2 c3

*

*

0

1

c1

ok

c2

c2

0

T

ok

T

ok

ok

c2

F

ok

F

*

*

*

NO

*

*

*

Satisfied Not Satisfied

**

Multiple Temperature Model

Page 57: Complexities for Generalized Models of Self-Assembly

Satisfied Not Satisfied

Multiple Temperature Model

* *

x1

x2

x3

c1 c2 c3

*

*

0

1

c1

ok

c2

c2

1

T

ok

T

ok

ok

ok

T

ok

T

*

*

*

SAT

*

*

*

*

* *

x1

x2

x3

c1 c2 c3

*

*

0

1

c1

ok

c2

c2

0

T

ok

T

ok

ok

c2

F

ok

F

*

*

*

NO

*

*

*

*

Page 58: Complexities for Generalized Models of Self-Assembly

Satisfied Not Satisfied

Multiple Temperature Model

*

x1

x2

x3

*

*

*

*

*

*

x1

x2

x3

*

*

*

*

*

Page 59: Complexities for Generalized Models of Self-Assembly

Our Tile Complexity Results

Multiple temperature model:

k x N rectangles: )loglog

log(

N

N

beats standard model: )(/1

k

N k

Flexible Glue:

N x N squares: )log( N

beats standard model: )loglog

log(

N

N (Adleman, Cheng,

Goel, Huang STOC 2001)

(our paper)

(our paper)

(our paper)

Page 60: Complexities for Generalized Models of Self-Assembly

Unique Shape Problem Results

Standard P

Flexible Glue P

Multiple Temperature NP-hard

Unique Shape Co-NPC

Multiple Tile Co-NPC

(Adleman, Cheng, Goel, Huang, Kempe,Espanes, Rothemund, STOC 2002)

(our paper)

(our paper)

(our paper)

Page 61: Complexities for Generalized Models of Self-Assembly

Further Research

• time complexity– multiple temperature– multiple tile

• more than 2 temperatures– raising/lowering temperature many times– monotonically increasing temperatures

Page 62: Complexities for Generalized Models of Self-Assembly