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    Complexity of Graph Self-Assembly in Accretive Systems and

    Self-Destructible Systems

    John H. Reif

    Sudheer Sahu

    Peng Yin

    Abstract

    Self-assembly is a process in which small objects au-

    tonomously associate with each other to form larger com-

    plexes. It is ubiquitous in biological constructions at the

    cellular and molecular scale and has also been identified

    by nanoscientists as a fundamental method for building

    molecular scale structures. Recent years see convergentinterest and efforts in studying self-assembly from math-

    ematicians, computer scientists, physicists, chemists, and

    biologists. However most complexity theoretic studies of

    self-assembly utilize mathematical models with two lim-

    itations: 1) only attraction, while no repulsion, is stud-

    ied; 2) only assembled structures of two dimensional

    square grids are studied. In this paper, we study the

    complexity of the assemblies resulting from the cooper-

    ative effect of repulsion and attraction in a more general

    setting of graphs. This allows for the study of a more

    general class of self-assembled structures than the previ-

    ous tiling model. We define two novel assembly models,

    namely the accretive graph assembly model and the self-

    destructible graph assembly model, and identify one fun-

    damental problem in them: the sequential construction

    of a given graph, referred to as Accretive Graph Assem-

    bly Problem (AGAP) and Self-Destructible Graph As-

    sembly Problem (DGAP), respectively. Our main results

    are: (i) AGAP is -complete even if the maximum

    degree of the graph is restricted to 4 or the graph is re-

    stricted to be planar with maximum degree 5; (ii) count-

    ing the number of sequential assembly orderings that re-

    sult in a target graph (#AGAP) is -complete; and

    (iii) DGAP is

    -complete even if the maxi-

    The work is supported by NSF ITR Grants EIA-0086015

    and CCR-0326157, NSF QuBIC Grants EIA-0218376 and EIA-

    0218359, and DARPA/AFSOR Contract F30602-01-2-0561.

    Department of Computer Science, Duke Uni-

    versity, Durham, NC, USA. reif, sudheer,

    py @cs.duke.edu

    mum degree of the graph is restricted to 6 (this is the first

    -complete result in self-assembly). We also

    extend the accretive graph assembly model to a stochas-

    tic model, and prove that determining the probability of

    a given assembly in this model is -complete.

    1 Introduction

    Self-assembly is the ubiquitous process in which

    small objects associate autonomously with each

    other to form larger complexes. For example, atoms

    can self-assemble into molecules; molecules into

    crystals; cells into tissues, etc. Recently, self-

    assembly has also been explored as a powerful

    and efficient mechanism for constructing synthetic

    molecular scale objects with nano-scale features.

    This approach is particularly fruitful in DNA based

    nanoscience, as exemplified by the diverse set ofDNA lattices made from self-assembled branched

    DNA molecules (DNA tiles) [12, 14, 20, 27, 28].

    Another nanoscale example is the self-assembly of

    peptide molecules [8]. Self-assembly is also used

    for mesoscale construction, for example, via the use

    of capillary forces [18] or magnetic forces [1] to

    provide attraction and repulsion between meso-scale

    tiles and other objects.

    Building on classical Wang tiling models [25]

    dating back to 1960s, Rothemund and Winfree [19]

    in 2000 proposed an elegant discrete mathemati-

    cal model for complexity theoretic studies of self-

    assembly known as theTile Assembly Model. In this

    model, DNA tiles are treated as oriented unit squares

    (tiles). Each of the four sides of a tile has a glue with

    a positive integral strength. Assembly occurs by ac-

    cretion of tiles iteratively to an existing assembly,

    starting with a distinguished seedtile. A tile can be

    glued to a position in an existing assembly if the

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    tile can fit in the position such that each pair of abut-

    ting sides of the tile and the assembly have the same

    glue and the total strength of the glues is greater than

    or equal to the temperature, a system parameter.

    Research in this field largely focuses on studying

    the complexity of and algorithms for (uniquely andterminally) producing assemblies with given prop-

    erties, such as shape. It has been shown that the

    construction of squares has a program size

    complexity (the minimum number of distinct types

    of tiles required) of

    [3, 19]. The upper

    bound is obtained by simulating a binary counter

    and the lower bound by analyzing the Kolmogorov

    complexity of the tiling system. The model was

    later extended by Adlemanet al. to include the time

    complexity of generating specified assemblies [3].

    Later work studies various topics, including com-

    binatorial optimization, complexity problems, fault

    tolerance, and topology changes, in the standard Tile

    Assembly Model as well as some of its variants

    [4, 6, 9, 10, 16, 22, 23, 26].

    Though substantial progress has been made in re-

    cent years in the study of self-assembly using the

    above tile assembly model, which captures many

    important aspects of self-assembly in nature and

    in nano-fabrications, the complexity of some other

    important aspects of self-assembly remains unex-

    plored:

    Only attraction, while no repulsion, is stud-ied. However, repulsive forces often occur in

    self-assembly. For example, there is repulsion

    between hydrophobic and hydrophilic tiles [7,

    18]; between tiles labeled with magnetic pads

    of the same polarity [1]; and there is also static

    electric repulsion in molecular systems, etc..

    Indeed, the study of repulsive forces in the self-

    assembly system was posed as an open ques-

    tion by Adleman and colleagues in [3]. Though

    there has been previous work on the kinetics

    of such systems, e.g. Klavinss waterbugmodel [11], no complexity theoretic study has

    been directed towards such systems.Generally only assembled structures of two di-

    mensional square grids are studied. In contrast,

    many molecular self-assemblies using DNA

    and other materials involve the assembly of

    more diverse structures in both two and three

    dimensions. For example, Seemans group

    constructed self-assembled non-regular graphs

    using DNA junction molecules as vertices and

    duplex DNA molecules as edges [21].

    In this paper, we study the cooperative effect of

    repulsion and attraction in a graph setting. This ap-

    proach allows the study of a more general class of

    assemblies as described above.

    We distinguish two systems, namely theaccretive

    system and the self-destructible system. In an ac-

    cretive system, an assembled component cannot be

    removed from the assembly. In contrast, in the self-

    destructible system, a previously assembled compo-

    nent can be actively removed from the assembly

    by the repulsive force exerted by another newly as-

    sembled component. In other words, the assembly

    can (partially) destruct itself. We define theaccre-

    tive graph assembly model for the former and theself-destructible graph assembly model for the lat-

    ter.

    We first define an accretive assembly model and

    study a fundamental problem in this model: the se-

    quential construction of a given graph, referred to

    as Accretive Graph Assembly Problem (AGAP).

    Our main result for this model is that AGAP is

    -complete even if the maximum degree of ver-

    tices in the graph is restricted to 4; the problem re-

    mains

    -complete even for planar graphs (planar

    AGAP or PAGAP) with maximum degree 5. Wealso prove that the problem of counting the num-

    ber of sequential assembly orderings that lead to a

    target graph (#AGAP) is

    -complete. We fur-

    ther extend the AGAP model to a stochastic model,

    and prove that determining the probability of a given

    assembly stochastic AGAP or SAGAP) is

    -

    complete.

    If we relax the assumption that an assembled

    component always stays in the assembly, repul-

    sive force between assembled components can cause

    self-destruction in the assembly. Self-destruction is

    a common phenomenon in nature, at least in bio-

    logical systems. One renowned example is apop-

    tosis, or programmed cell death [24]. Programmed

    cell death can be viewed as a self-destructive behav-

    ior exercised by a multi-cellular organism, in which

    the organism actively kills a subset of its constituent

    cells to ensure the normal development and func-

    tion of the whole system. It has been shown that ab-

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    normalities in programmed cell death regulation can

    cause a diverse range of diseases such as cancer and

    autoimmunity [24]. It is also conceivable that self-

    destruction can be exploited in self-assembly based

    nano-fabrication: the components that serve to gen-

    erate intermediate products but are unnecessary orundesirable in the final product should be actively

    removed.

    To the best of our knowledge, our self-

    destructible graph assembly model is the first com-

    plexity theoretic model that captures and studies

    the fundamental phenomenon of self-destruction in

    self-assembly systems. Our model is different from

    previous work on reversible tiling systems [2, 5].

    These previous studies use elegant thermodynamic

    or stochastic techniques to investigate the reversible

    process of tile assembly/disassembly: an assembled

    tile has a probability of falling off the assembly

    in a kinetic system. In contrast, our self-destructible

    system models the behavior of a self-assembly sys-

    tem that actively destructs part of itself.

    To model the self-destructible systems, we de-

    fine a self-destructible graph assembly model, and

    consider the problem of sequentially constructing

    a given graph, referred to as the Self-Destructible

    Graph Assembly Problem (D GAP). We prove that

    DGAP is

    -complete even if the graph is

    restricted to have maximum degree 6.

    The rest of the paper is organized as follows.We first define the accretive graph assembly model

    and the AGAP problem in Section 2. In this

    model, we first show the

    -completeness of

    AGAP and PAGAP (planar AGAP) in Sec-

    tion 3 and then show the

    -completeness of

    SAGAP (stochastic AGAP) in Section 4. Next, we

    define the self-destructible graph assembly model

    and the DGAP problem in Section 5 and show the

    -completeness of DGAP in Section 6.

    We close with a discussion of our results in Sec-

    tion 7.

    2 Accretive Graph Assembly ModelLet and denote the set of natural numbers and

    the set of integers, respectively. A graph assembly

    systemis a quadruple

    ,

    where

    is a given graph with vertex set

    and edge set ,

    is a distinguished seed

    1

    2

    2 1 2

    1

    2 2

    2 2

    -1 1

    Figure 1: An example of graph assembly in the accretivemodel.

    vertex,

    is a weight function (correspond-

    ing to the glue function in the standard tile assembly

    model [19]), and

    is the temperature of the

    system (intuitively temperature provides a tunable

    parameter to control the stability of the assembled

    structure). In contrast to the canonical tile assem-

    bly model in [19], which allows only positive edge

    weight, we allow both positive and negative edge

    weights, with positive (resp. negative) edge weight

    modeling the attraction (resp. repulsion) between

    the two vertices connected by this edge. We will see

    that this simple extension makes the assembly prob-

    lem significantly more complex.

    Roughly speaking, given a graph assembly sys-

    tem

    , is sequentially con-

    structibleif we can attach all its vertices one by one,

    starting with the seed vertex; a vertex can be as-

    sembled if the support to it is equal to or greater

    than the system temperature , where support is the

    sum of the weights of the edges between and its

    assembled neighbors.

    Figure 1 gives an example. Here the temperature

    is set to 2. If gets assembled before , then the

    whole graph can get assembled: an example assem-

    bly ordering can be

    . In contrast, if vertex gets assembled before

    , the graph cannot be assembled: can be assem-

    bled only if it gets support fromboth and

    ; while

    cannot get assembled without the support from .

    Formally, given a graph assembly system

    , issequentially constructibleif there

    exists an ordering of all the vertices in ,

    such that

    , where

    denotes the set of vertices adjacent to

    in

    . The ordering

    is called anassembly ordering

    for .

    is called

    thesupportof

    in ordering . When the context is

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    Figure 2: A graph construction corresponding to an

    AGAP reduction from 3SAT formula

    . An edge between two

    literal vertices is depicted as a dashed arch and assigned

    weight -1; all other edges have weight 2.

    clear, we simply use and

    to denote assembly

    ordering and support, respectively.

    We define the accretive graph assembly problem

    as follows,

    Definition 2.1 Accretive Graph Assembly Prob-

    lem (AGAP): Given a graph assembly system

    in the accretive model, determine

    whether there exists an assembly ordering for .

    The above model is accretive in the sense that

    once a vertex is assembled, it cannot be knocked

    off by the subsequent assembly of any other vertex.

    If we relax this assumption, we will obtain a self-

    destructible model, which is described in Section 5.

    3 AGA P and PAGA P are

    -

    complete3.1 4-DEGREE AGAP is -complete

    Lemma 3.1 AGAP is in

    .

    Proof: Given an assembly ordering of the vertices,

    sequentially check whether each vertex can be as-

    sembled. This takes polynomial time.

    Recall that the

    -complete 3SAT problem asks:

    Given a Boolean formula in conjunctive normal

    form with each clause containing 3 literals, deter-

    mine whether is satisfiable [15]. 3SAT remains

    -complete for formulas in which each variable

    appears at most three times, and each literal at most

    twice [15]. We will reduce this restricted 3S AT to

    AGAP to prove AGAP is

    -hard.

    Lemma 3.2 AGAP is

    -hard.

    Proof: Given a 3SAT formula where each vari-

    able appears at most three times, and each literal

    at most twice, we will construct below an accretive

    graph assembly system

    for . We

    will then show that the satisfiability problem of

    can be reduced (in logarithmic space) to the sequen-

    tial constructibility problem of in .

    For each clause in , construct a clause gadget

    as in Figure 2. For each literal, we construct a lit-eral vertex (colored white). We further add top ver-

    tices (black) above and bottom vertices (black) be-

    low the literal verticesWe next take care of the struc-

    ture of formula as follows. Connect all the clause

    gadgets sequentially via their top vertices as in Fig-

    ure 2; connect two literal vertices if and only if they

    correspond to two complement literals. This pro-

    duces graph . Designate the leftmost top vertex

    as the seed vertex

    . We next assign weight

    to an edge between two literal vertices and weight

    to all the other edges. Finally, set the temper-

    ature

    . This completes the construction of

    .

    The following proposition implies the lemma.

    Proposition 3.3 There is an assembly ordering

    for if and only if is satisfiable.

    First we show that if can be satisfied by truth as-

    signment , then we can derive an assembly order-

    ing based on

    .

    Stage 1. Starting from the seed vertex, assemble

    all the top vertices sequentially. This can be eas-

    ily done since each top vertex will have support 2,

    which is greater than or equal to

    , the temper-

    ature.

    Stage 2.Assemble all the literal vertices assigned

    . Since two

    literals cannot be complement

    literals, no two literal vertices to be assembled at

    this stage can have a negative edge between them.

    Hence all these

    literal vertices will receive a

    support 2 (

    ).

    Stage 3. Assemble all the bottom vertices. Note

    that truth assignment satisfies

    implies that every

    clause in has at least one

    literal. Thus every

    clause gadget in has at least one literal vertex (a

    literal vertex) assembled in stage 2, which in

    turn allows us to assemble the bottom vertex in that

    clause gadget.

    Stage 4. Assemble all the remaining literal ver-

    tices (the

    literal vertices). Observe that any

    remaining literal vertex has support from its al-

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    Proof: Given a bipartite graph

    with

    two partitions of vertices and

    and edge set

    ,

    where

    ,

    , and

    (recall that by definition of bipar-

    tite graph, there is no edge between any two vertices

    in

    and no edge between any two vertices in

    ),we construct an assembly system

    .

    First, we derive graph by adding vertices and

    edges to (see Figure 3 for an example): on each

    edge add a splittingconnector vertex

    ; add an

    edge (dashed line) between two connector vertices if

    they share a same neighbor in ; connect

    and

    for

    . Next, assign weight

    to an edge between two connector vertices; assign

    weight

    to all the other edges. Finally, designate

    as the seed vertex

    , and set the temperature

    .

    The target vertex set

    is

    .

    A crucial property of is that the assembly of

    one connector vertex will make all of

    s connec-

    tor vertex neighbors unassemblable, due to the nega-

    tive edge connecting and its neighbors. Thus, start-

    ing from a vertex

    , only one connector ver-

    tex and hence only one can be assembled.

    For a concrete example, see Figure 3 (b): starting

    from

    , if we sequentially assemble

    and

    , ver-

    tex will render

    unassemblable, and hence the

    assembly sequence

    is not permissible.

    We first show that if there is no perfect match-

    ing in , there is no assembly ordering for

    .

    If there is no perfect matching in , there exists

    s.t.

    (Halls theorem), where

    is the set of neighboring vertices to the

    vertices in

    in original graph . However, as ar-

    gued above, one vertex in can lead to the assem-

    bly of at most one vertex in . Thus

    implies that at least one vertex in

    remains

    unassembled. Hence, no assembly ordering exists

    that can assemble all vertices in

    .

    Next, when there exists perfect matching(s) in ,

    we can show that each perfect matching in corre-

    sponds to afixednumber of assembly orderings for

    . First note that the total number of vertices

    in graph is

    (recall that is the number

    of edges in and hence number of connector ver-

    tices in ), giving a total

    permuta-

    tions. We divide by the following factors to get the

    number of assembly orderings for

    .

    1. For every matching edge between

    and

    , we have to follow the strict order

    , where is the connector ver-

    tex on

    . This is ensured by our construction

    as argued above. There are altogether such

    matching edges. So we need to further divide

    by

    .

    2. For the vertices in , we have to follow the

    strict order of assembling the vertices from left

    to right, and hence we need to divide by

    .

    3. Denote by

    the degree of

    in graph .

    For the

    connector vertices corresponding to

    the

    edges incident on

    , the connector ver-

    tex corresponding to the matching edge must

    be assembled first, and thus, we need to further

    divide by

    .

    Putting together 1), 2), and 3), we have thateach perfect matching in

    corresponds to

    assembly orderings for

    in .

    Lemma 4.1 and Lemma 4.2 imply

    Theorem 4.3 #AGAP is

    -complete.

    4.2 SAGAP is

    -complete

    An intimately related question to counting the total

    number of assembly orderings is the problem to cal-

    culate the probability of assembling a target struc-ture in a stochastic setting. We next extend the ac-

    cretive graph self-assembly model to stochastic ac-

    cretive graph self-assembly model. Given a graph

    , where

    , starting with the

    seed vertex

    , what is the probability that the tar-

    get vertex set

    gets assembled if anytime

    any unassembled vertex can be picked with equal

    probability? This problem is referred to as stochas-

    tic AGAP (SAGAP).

    Since any unassembled vertex has equal proba-

    bility of being selected and the assembly has to startwith the seed vertex, the total number of possible

    orderings are

    . Then SAGAP asks pre-

    cisely how many of these

    orderings are as-

    sembly orderings for the target vertex set

    . Thus,

    #AGAP can be trivially reduced to SAGAP, and

    the reduction is obviously a logarithmic space parsi-

    monious reduction. We immediately have

    Theorem 4.4 SAGAPis

    -complete.

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    Slot Graph

    Vertex Set

    { , }

    { }

    { , }

    Association

    { }

    { }{ }{ }

    { }

    { }{ }

    (a) (b) (c)

    Edge Weights

    0

    2 -22

    2

    0

    2 2

    1 3

    2

    1

    1

    11

    1

    Target Graph

    2

    0

    2 2

    1 3

    2

    1

    2

    2 0 1

    (d) (e)Figure 4: An example self-destructible graph assemblysystem.

    5 Self-Destructible Graph Assem-

    bly Model

    The assumption in the above accretive model is that

    once a vertex is assembled, it cannot be knocked

    off by the later assembly of another vertex. Next,

    we relax this assumption and obtain a more general

    model: the self-destructible graph assembly model.

    In this model, the incorporation of a vertex that

    repulses an already assembled vertex can make

    unstable and hence knock off the assembly. This

    phenomenon renders the assembly system an inter-

    esting dynamic property, (partial) self-destruction.

    The self-destructible graph assembly system op-

    erates on a slot graph. A slot graph

    is

    a set of slots

    connected by edges

    .

    Each slot

    is associated with a set of vertices

    . During the assembly process, a slot is either

    empty or is occupied by a vertex

    . A slot

    occupied by a vertex is denoted as

    .

    A self-destructible graph assembly system is de-

    fined as

    ,

    where

    is a given slot graph with slot

    set

    and edge set

    ;

    is

    the set of vertices; the association rule

    is a binary relation between

    and , which maps

    each slot to its associated vertex set

    (note

    that the sets

    are not necessarily disjoint); for

    any edge

    , we define a weight function

    (here a weight is deter-

    mined cooperatively by an edge

    and the two

    vertices occupying

    and

    );

    is a distin-

    guished seed slot

    occupied by vertex

    ;

    is thetemperatureof the system. The size of a self-

    destructible assembly system is the bit representa-

    tion of the system.

    A configuration of is a function

    , where empty indicates a slot being

    un-occupied. For ease of exposition, a configuration

    is alternatively referred to as a graph, denoted as .

    When the context is clear, we simply refer to a slot

    occupied by a vertex as avertex, for readability.

    Given the above self-destructible graph assembly

    system, we aim at assembling a target graph, i.e.reaching a target configuration,

    , starting with the

    seed vertex

    and using the followingunit as-

    sembly operations. In each unit operation, we tem-

    porarily attach a vertex to the current graph

    and obtain a graph

    , and then repeat the following

    procedure until no vertex can be removed from the

    assembly: inspect all the vertices in current graph

    ; find the vertex

    with the smallestsupport, i.e.

    the sum of the weights of edges between

    and its

    assembled neighbors, and break the ties arbitrarily

    (note that

    can be ); if the support to

    is less

    than , remove

    . This procedure ensures that when

    a vertex that repulses its assembled neighbors is in-

    corporated in the existing assembly, all the vertices

    whose support drops below system temperature will

    be removed. However, in the case when a vertex

    to be attached exerts no repulsive force to its al-

    ready assembled neighbors, the above standard unit

    assembly operation can be simplified as follows: a

    vertex can be assembled if the total support it re-

    ceives from its assembled neighbors is equal to or

    greater than the system temperature this is ex-

    actly the same as the operation in the accretive graphassembly model.

    Figure 4 gives a concrete example of a self-

    destructible graph assembly system . Figure 4

    illustrates the assembly system

    . Here, slot is desig-

    nated as the distinguished seed slot

    and tem-

    perature is set to

    . Figure 4 (a) depicts

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    The glue strength

    is set to

    ; all other glue

    strengths are 1. Mapping relation : every vertex

    in can be mapped to every slot in

    . We next

    describe weight function

    . Consider

    two vertices

    and

    connected by edge

    , if

    is horizontal and

    lies tothe East (resp. West) of

    , the weight function is

    (resp.

    ); if is vertical and

    lies to

    the North (resp. South) of

    , the weight function is

    (resp.

    ); where

    (resp.

    ) if

    (resp.

    ). In other words, the edge

    weight for two neighboring vertices is the strength

    of the abutting glues, if the abutting glues are the

    same; otherwise it is 0.

    It is straightforward to show the assembly of the

    vertices in on the slot graph

    simu-

    lates the operation of the TM

    . Figure 6 (a) givesa concrete example to illustrate the simulation pro-

    cess as in [19]. Here we assume the bottom row in

    the assembly in Figure 6 (a) is pre-assembled.

    Our modified TM simulation.We add two mod-

    ifications to the classical simulation and obtain the

    scheme in Figure 6 (b): 1) a set of vertices are added

    to assemble an input row (bottom row in the fig-

    ure) and 2) a dummy column is added to the left-

    most of the assembly. For the construction, see

    the self-explanatory Figure 6 (b). The leftmost bot-

    tom vertex is the seed vertex and a thick line indi-cates a weight 2 edge. The reason for adding the

    dummy column is as follows. The glue strength

    is

    in Figure 6 (a); this is necessary to

    initiate the assembly of a new row and hence a tran-

    sition to next configuration. However, due to a sub-

    tle technical point explained later (in the part In-

    tegrating cyclic gadget with TM simulation), we

    cannot allow weight 2 edge(s) in a column unless

    all the edges in this column have weight 2. So we

    add the leftmost dummy column of vertices con-

    nected by weight 2 edges, and this enables us to set

    and thus avoid weight 2 edge other

    than those in the dummy column. The modified

    scheme simulates a TM on input with the head

    initially residing at and never moving to the left

    of

    . The assembly proceeds from bottom to top;

    within each row, it starts from the leftmost dummy

    vertex and proceeds to the right (note the difference

    in the assembly sequence in Figure 6 (a) and (b), as

    indicated by the thick grey arrows).

    Our cyclic gadget. The above strategy to simu-

    late TM by laying out its configurations one above

    another can result in a graph with height exponen-

    tial in the size of the input (

    ): the height of the

    graph is precisely the number of transitions plus one.A crucial observation is that once row

    is assem-

    bled, row

    is no longer needed: row

    holds

    sufficient information for assembling row

    and

    hence for the simulation to proceed. Thus, we can

    evacuate row

    and reuse the space to assem-

    ble a future row, say row

    . Using this trick,

    we can shrink the number of rows from an expo-

    nential number to a constant. The self-destructible

    graph assembly model can provide us with precisely

    this power. To realize this power of evacuating and

    reusing space, we construct a cyclic gadget, shown

    Figure 7 (a). The gadget contains three kinds of ver-

    tices: the computational vertices ( ,

    , and

    ) that

    carry out the actual simulation of the Turing ma-

    chine; theknocking vertices ( ,

    , and ) that serve

    to knock off the computational vertices and thus re-

    lease the space; the anchor vertices (

    ,

    , and

    )

    that anchor the knocking vertices. Edge weights are

    labeled in the figure.

    For ease of exposition, we introduce a little more

    notation. The event in which a new vertex is at-

    tached to a pre-assembled vertex is denoted as ;

    the event in which knocks off is denoted as

    .

    We next describe the operation of the cyclic gad-

    get. We require that anchor vertices ,

    , and

    and computational vertex are pre-assembled. The

    anchor vertices and computational vertices will keep

    getting assembled and then knocked off in a coun-

    terclockwise fashion. First, is attached to (event

    ). Then is attached to (event

    ). At this

    point, has total support

    from

    ,

    , and (provid-

    ing support

    ,

    , and

    , respectively); has total

    support

    from and (providing support 2 and

    -3, respectively). Since the temperature is

    , will

    knock off ( ). Next, we have

    followed

    by

    . At this point,

    has total support from

    and

    ; has total support from and . There-

    fore, either

    or

    can happen, but

    is

    in the desired counterclockwise direction. Next, we

    will have cycles of (reversible) events. In summary,

    the following sequence of events occur, providing

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    symbol vertices

    transition vertices

    1

    1

    1

    1

    state vertices

    0

    1

    1

    1

    1 1

    0 0

    0 0

    1

    0

    0 1

    1

    1

    1

    1

    1

    1

    0

    1

    0 1

    0

    0

    1

    1

    R

    L

    RC

    A1

    A0 A0

    A0

    A1

    A1

    C1

    BBB0

    B0

    B0

    A

    A1

    A0

    B0

    B

    A

    B

    A

    A

    A1

    CC

    A0

    B0

    A

    A

    B

    A

    A

    0

    1

    1

    1

    0

    0

    0

    1

    1

    1

    1

    1

    1

    1

    1

    1

    1

    i=3

    i=2

    i=1

    i=0

    j=1 j=2 j=3j=0

    CC

    B

    A

    C1

    B0

    B0

    A1

    A0

    A0

    A1

    A

    B

    (a) (b)Figure 6: (a) An example classical simulation of a Turing machine

    , where

    ;

    ; transition function is shown in the figure;

    . The top of the left panel shows two symbol vertices;

    below are some example transition rules and the corresponding state vertices and transition vertices. The right panel

    illustrates the simulation of on input (simulated as the bottom row, which is assumed to be preassembled),

    according to the transition rules in the figure; the heads initial position is on the leftmost vertex. Each transition of

    adds a new row. (b) Our modified scheme. The leftmost bottom vertex is the seed vertex. The leftmost column is

    the dummy column. In both (a) and (b), a thick line indicates a weight 2 edge; a thin line indicates weight 1; thick

    grey arrows indicate the assembly sequence.

    3

    32

    3 2

    2

    2

    2

    2 2

    2

    2

    4

    1

    1

    1

    1

    1

    1

    234

    2

    2 3

    3 2

    2

    3 2

    4 3

    3

    3

    2

    3

    11

    1

    3

    2

    2

    (a) (b)Figure 7: (a) The construction and operation of our cyclic gadget. The counterclockwise grey cycle indicates the

    desired sequence of events. (b) The integrated scheme. Grey edges have weight 2. Unlabeled black edges have

    weight 1. indicates the seed vertex; is the seed slot.

    indicates a distinguished computational seed.

    the desired cyclicity:

    , ,

    ;

    ,

    ,

    ;

    , ,

    ,

    ;

    ,

    , ,

    ;

    ,

    ,

    ,

    ;

    The steps in the

    will keep repeating. Note that

    the steps in the

    are reversible, which facilitates

    our reversible simulation of a Turing machine be-low.

    Integrating cyclic gadget with TM simulation.

    We next integrate the cyclic gadget with the modi-

    fied simulation in Figure 6 (b). In the resulting

    scheme, we obtain a reversible simulation of a deter-

    ministic TM on a slot graph of constant height, by

    evacuating old rows and reusing the space: row

    is

    evacuated after the assembly of row

    , providing

    space for the assembly of row

    .

    Figure 7 (b) illustrates the integrated scheme. Slot

    rows , , and correspond to rows

    ,

    , and

    in Figure 6 (b), respec-

    tively. Let

    . is a sequence of slots

    ; similarly,

    and

    as in Figure 7 (b). Slots

    ,

    , and

    are dummy slots (corresponding to the

    dummy column in Figure 6 (b)). For each

    ,

    , and

    , we construct a cyclic gadget by introducing slots

    ,

    ,

    ,

    ,

    , and

    .

    Slot

    is designated as the seed slot

    and one of

    its associated vertices as the seed vertex

    and the

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