We study the computational power of the Full-Tilt model of motion planning, where slidable polyominos are moved maximally around a board by way of a sequence of directional "tilts." We focus on the deterministic scenario in which the tilts constitute a repeated clockwise rotation. We show that general-purpose computation is possible within this framework by providing a direct and efficient simulation of space-bounded Turing machines in which one computational step of the machine is simulated per O(1) rotations. We further show that the initial tape of the machine can be programmed by an initial tilt-sequence preceding the rotations. This result immediately implies new PSPACE-completeness results for the well-studied problems of occupancy (deciding if a given board location can be occupied by a tile), vacancy (deciding if a location can be emptied), relocation (deciding if a tile can be moved from one location to another), and reconfiguration (can a given board configuration be reconfigured into a second given configuration) that hold even for deterministically repeating tilt cycles such as rotations. All of our PSPACE-completeness results hold even when there is only a single domino in the system beyond singleton tiles. Following, we show that these results work in the Single-Step tilt model for larger constant cycles. We then investigate computational efficiency by showing a modification to implement a two-tape Turing machine in the Full-Tilt model and Systolic Arrays in the Single-Step model. Finally, we show a cyclic implementation for tilt-efficient Threshold Circuits.

The ability to detect whether a species (or dimension) is zero in Chemical Reaction Networks (CRN), Vector Addition Systems, or Petri Nets is known to increase the power of these models - making them capable of universal computation. While this ability may appear in many forms, such as extending the models to allow transitions to be inhibited, prioritized, or synchronized, we present an extension that directly performs this zero checking. We introduce a new void genesis CRN variant with a simple design that merely increments the count of a specific species when any other species' count goes to zero. As with previous extensions, we show that the model is Turing Universal. We then analyze several other studied CRN variants and show that they are all equivalent through a polynomial simulation with the void genesis model, which does not merely follow from Turing-universality. Thus, inhibitor species, reactions that occur at different rates, being allowed to run reactions in parallel, or even being allowed to continually add more volume to the CRN, does not add additional simulation power beyond simply detecting if a species count becomes zero.

In this paper we focus on the intersection of tile assembling systems, edge-matching puzzles, combinatorial games, and knot construction and identity. As a basis, we utilize the game Celtic!, which is a 2-player board game where the goal of the game is to construct knots where one knot uses more of a player’s pieces than the other player over all knots. All pieces must build off an existing knot and a valid knot must be closed. We consider three variations: a 0-player self-assembly variation that deterministically places pieces to form a closed knot of some length, a 1-player puzzle variation where the goal is to form a closed knot of some length, and the original 2-player game with restricted pieces. We show these are P-complete, NP-complete (depending on the pieces), and PSPACE-complete (for a first-player win), respectively. We nearly fully characterize the hardness of the 1-player puzzle based on the pieces. We prove these results through standard hardness reductions and with constraint logic. Finally, we note some combinatorial game theory strategies to show certain configurations are a draw through strategy stealing.

Connect Four is a well-studied two-player game for fixed board sizes, however, the complexity of the generalized game is still open. Here, we look at a variant of Connect Four that allows for row shifting. Shift-Tac-Toe is a two-player game similar to Connect Four with the goal of getting 3-in-a-row to win. What makes the game unique is that each row is connected and can be shifted left or right, which causes pieces to fall into a neighboring column or to be removed from the board. Here, we show that the standard $3 \times 3$ game is a first player win and provide a perfect game-tree AI, and then we look at a generalized version of the game. We show that as a one-player puzzle, knowing whether n- in-a-row can be achieved with only shift moves is NP-complete. We also provide an implementation of the game allowing for arbitrary board size, shift size, and number of players.

We analyze the computational complexity of basic reconfiguration problems for the recently introduced surface Chemical Reaction Networks (sCRNs), where ordered pairs of adjacent species nondeterministically transform into a different ordered pair of species according to a predefined set of allowed transition rules (chemical reactions). In particular, two questions that are fundamental to the simulation of sCRNs are whether a given configuration of molecules can ever transform into another given configuration, and whether a given cell can ever contain a given species, given a set of transition rules. We show that these problems can be solved in polynomial time, are NP-complete, or are PSPACE-complete in a variety of different settings, including when adjacent species just swap instead of arbitrary transformation (swap sCRNs), and when cells can change species a limited number of times (k-burnout). Most problems turn out to be at least NP-hard except with very few distinct species (2 or 3).

One of the most fundamental and well-studied problems in Tile Self-Assembly is the Unique Assembly Verification (UAV) problem. This algorithmic problem asks whether a given tile system uniquely assembles a specific assembly. The complexity of this problem in the 2-Handed Assembly Model (2HAM) at a constant temperature is a long-standing open problem since the model was introduced. Previously, only membership in the class coNP was known and that the problem is in P if the temperature is one ( $$\tau =1$$ ). The problem is known to be hard for many generalizations of the model, such as allowing one step into the third dimension or allowing the temperature of the system to be a variable, but the most fundamental version has remained open. In this paper, we prove the UAV problem in the 2HAM is hard even with a small constant temperature ( $$\tau = 2$$ ), and finally answer the complexity of this problem (open since 2013). Further, this result proves that UAV in the staged self-assembly model is coNP-complete with a single bin and stage (open since 2007), and that UAV in the q-tile model is also coNP-complete (open since 2004). We reduce from Monotone Planar 3-SAT with Neighboring Variable Pairs, a special case of 3SAT recently proven to be NP-hard. We accompany this reduction with a positive result showing that UAV is solvable in polynomial time with the promise that the given target assembly will have a tree-shaped bond graph, i.e., contains no cycles. We provide a $$\mathcal {O}(n^5)$$ algorithm for UAV on tree-bonded assemblies when the temperature is fixed to 2, and a $$\mathcal {O}(n^5\log \tau )$$ time algorithm when the temperature is part of the input.

We analyze the complexity of two fundamental verification problems within a generalization of the two-handed tile self-assembly model (2HAM) where initial system assemblies are not restricted to be singleton tiles, but may be larger prebuilt assemblies. Within this model we consider the producibility problem, which asks if a given tile system builds, or produces, a given assembly, and the unique assembly verification (UAV) problem, which asks if a given system uniquely produces a given assembly. We show that producibility is NP-complete and UAV is coNP N P -complete even when the initial assembly size and temperature threshold are both bounded by a constant. This is in stark contrast to results in the standard model with singleton input tiles where producibility is in P and UAV is coNP-complete with constant temperature. We further provide preliminary polynomial time results for producibility and UAV in the case of 1-dimensional linear assemblies with pre-built assemblies, as well as extend our results to the abstract Tile Assembly Model (aTAM) with constant-size attachable assemblies.

Staged self-assembly has proven to be a powerful abstract model of self-assembly by modeling laboratory techniques where several nanoscale systems are allowed to assemble separately and then be mixed at a later stage. A fundamental problem in self-assembly is Unique Assembly Verification (UAV), which asks whether a single final assembly is uniquely constructed. This has previously been shown to be Π^{p}₂-hard in staged self-assembly with a constant number of stages, but a more precise complexity classification was left open related to the polynomial hierarchy. Covert Computation was recently introduced as a way to compute a function while hiding the input to that function for self-assembly systems. These Tile Assembly Computers (TACs), in a growth only negative aTAM system, can compute arbitrary circuits, which proves UAV is coNP-hard in that model. Here, we show that the staged assembly model is capable of covert computation using only 3 stages. We then utilize this construction to show UAV with only 3 stages is Π^{p}₂-hard. We then extend this technique to open problems and prove that general staged UAV is PSPACE-complete. Measuring the complexity of n stage UAV, we show Π^{p}_{n - 1}-hardness. We finish by showing a Π^{p}_{n + 1} algorithm to solve n stage UAV leaving only a constant gap between membership and hardness.

Traditionally, computation within self-assembly models is hard to conceal because the self-assembly process generates a crystalline assembly whose computational history is inherently part of the structure itself. With no way to remove information from the computation, this computational model offers a unique problem: how can computational input and computation be hidden while still computing and reporting the final output? Designing such systems is inherently motivated by privacy concerns in biomedical computing and applications in cryptography. In this paper we propose the problem of performing “covert computation” within tile self-assembly that seeks to design self-assembly systems that “conceal” both the input and computational history of performed computations. We achieve these results within the growth-only restricted abstract Tile Assembly Model (aTAM) with positive and negative interactions. We show that general-case covert computation is possible by implementing a set of basic covert logic gates capable of simulating any circuit (functionally complete). To further motivate the study of covert computation, we apply our new framework to resolve an outstanding complexity question; we use our covert circuitry to show that the unique assembly verification problem within the growth-only aTAM with negative interactions is coNP-complete.

Many models of self-assembly have been shown to be capable of performing computation. Tile Automata was recently introduced combining features of both Celluar Automata and the 2-Handed Model of self-assembly both capable of universal computation. In this work we study the complexity of Tile Automata utilizing features inherited from the two models mentioned above. We first present a construction for simulating Turing Machines that performs both covert and fuel efficient computation. We then explore the capabilities of limited Tile Automata systems such as 1-Dimensional systems (all assemblies are of height 1) and freezing Systems (tiles may not repeat states). Using these results we provide a connection between the problem of finding the largest uniquely producible assembly using n states and the busy beaver problem for non-freezing systems and provide a freezing system capable of uniquely assembling an assembly whose length is exponential in the number of states of the system. We finish by exploring the complexity of the Unique Assembly Verification problem in Tile Automata with different limitations such as freezing and systems without the power of detachment.

The natural process of self-assembly has been studied through various abstract models due to the abundant applications that benefit from self-assembly. Many of these different models emerged in an effort to capture and understand the fundamental properties of different physical systems and the mechanisms by which assembly may occur. A newly proposed model, known as Tile Automata, offers an abstract toolkit to analyze and compare the algorithmic properties of different self-assembly systems. In this paper, we show that for every Tile Automata system, there exists a Signal-passing Tile Assembly system that can simulate it. Finally, we connect our result with a recent discovery showing that Tile Automata can simulate Amoebot programmable matter systems, thus showing that the Signal-passing Tile Assembly can simulate any Amoebot system.

Advances in technology have given us the ability to create and manipulate robots for numerous applications at the molecular scale. At this size, fabrication tool limitations motivate the use of simple robots. The individual control of these simple objects can be infeasible. We investigate a model of robot motion planning, based on global external signals, known as the tilt model. Given a board and initial placement of polyominoes, the board may be tilted in any of the 4 cardinal directions, causing all slidable polyominoes to move maximally in the specified direction until blocked. We propose a new hierarchy of shapes and design a single configuration that is strongly universal for any w × h bounded shape within this hierarchy (it can be reconfigured to construct any w × h bounded shape in the hierarchy). This class of shapes constitutes the most general set of buildable shapes in the literature, with most previous work consisting of just the first-level of our hierarchy. We accompany this result with a O(n4 log n)-time algorithm for deciding if a given hole-free shape is a member of the hierarchy. For our second result, we resolve a long-standing open problem within the field: We show that deciding if a given position may be covered by a tile for a given initial board configuration is PSPACEcomplete, even when all movable pieces are 1 × 1 tiles with no glues. We achieve this result by a reduction from Non-deterministic Constraint Logic for a one-player unbounded game.

We investigate the problem of assembling general shapes and patterns in a model in which particles move based on uniform external forces until they encounter an obstacle. In this model, corresponding particles may bond when adjacent with one another. Succinctly, this model considers a 2D grid of “open” and “blocked” spaces, along with a set of slidable polyominoes placed at open locations on the board. The board may be tilted in any of the 4 cardinal directions, causing all slidable polyominoes to move maximally in the specified direction until blocked. By successively applying a sequence of such tilts, along with allowing different polyominoes to stick when adjacent, tilt sequences provide a method to reconfigure an initial board configuration so as to assemble a collection of previous separate polyominoes into a larger shape. While previous work within this model of assembly has focused on designing a specific board configuration for the assembly of a specific given shape, we propose the problem of designing universal configurations that are capable of constructing a large class of shapes and patterns. For these constructions, we present the notions of weak and strong universality which indicate the presence of “excess” polyominoes after the shape is constructed. In particular, for given integers h, w, we show that there exists a weakly universal configuration with O(hw) 1 × 1 slidable particles that can be reconfigured to build any h × w patterned rectangle. We then expand this result to show that there exists a weakly universal configuration that can build any h × w-bounded size connected shape. Following these results, which require an admittedly relaxed assembly definition, we go on to show the existence of a strongly universal configuration (no excess particles) which can assemble any shape within a previously studied “drop” class, while using quadratically less space than previous results. Finally, we include a study of the complexity of deciding if a particle within a configuration may be relocated to another position, and deciding if a given configuration may be transformed into a second given configuration. We show both problems to be PSPACE-complete even when no particles stick to one another and movable particles are restricted to 1 × 1 tiles and a single 2 × 2 polyomino.

Inspired by nature and motivated by a lack of top-down tools for precise nanoscale manufacture, self-assembly is a bottom-up process where simple, unorganized components autonomously combine to form larger more complex structures. Such systems hide rich algorithmic properties - notably, Turing universality - and a self-assembly system can be seen as both the object to be manufactured as well as the machine controlling the manufacturing process. Thus, a benchmark problem in self-assembly is the unique assembly of shapes: to design a set of simple agents which, based on aggregation rules and random movement, self-assemble into a particular shape and nothing else. We use a popular model of self-assembly, the 2-handed or hierarchical tile assembly model, and allow the existence of repulsive forces, which is a well-studied variant. The technique utilizes a finely-tuned temperature (the minimum required affinity required for aggregation of separate complexes). We show that calibrating the temperature and the strength of the aggregation between the tiles, one can encode the shape to be assembled without increasing the number of distinct tile types. Precisely, we show one tile set for which the following holds: for any finite connected shape S, there exists a setting of binding strengths between tiles and a temperature under which the system uniquely assembles S at some scale factor. Our tile system only uses one repulsive glue type and the system is growth-only (it produces no unstable assemblies). The best previous unique shape assembly results in tile assembly models use O(K(S)/(log K(S))) distinct tile types, where K(S) is the Kolmogorov (descriptional) complexity of the shape S.

We analyze the number of tile types t, bins b, and stages necessary to assemble $$n \times n$$ squares and scaled shapes in the staged tile assembly model. For $$n \times n$$ squares, we prove $$\mathcal {O}\left( \frac{\log {n} - tb - t\log t}{b^2} + \frac{\log \log b}{\log t}\right) $$ stages suffice and $$\varOmega \left( \frac{\log {n} - tb - t\log t}{b^2}\right) $$ are necessary for almost all n. For shapes S with Kolmogorov complexity K(S), we prove $$\mathcal {O}\left( \frac{K(S) - tb - t\log t}{b^2} + \frac{\log \log b}{\log t}\right) $$ stages suffice and $$\varOmega \left( \frac{K(S) - tb - t\log t}{b^2}\right) $$ are necessary to assemble a scaled version of S, for almost all S. We obtain similarly tight bounds when the more powerful flexible glues are permitted.

We show how to design a universal shape replicator in a self- assembly system with both attractive and repulsive forces. More precisely, we show that there is a universal set of constant-size objects that, when added to any unknown holefree polyomino shape, produces an unbounded number of copies of that shape (plus constant-size garbage objects). The constant-size objects can be easily constructed from a constant number of individual tile types using a constant number of preprocessing self-assembly steps. Our construction uses the well-studied 2-Handed Assembly Model (2HAM) of tile self-assembly, in the simple model where glues interact only with identical glues, allowing glue strengths that are either positive (attractive) or negative (repulsive), and constant temperature (required glue strength for parts to hold together). We also require that the given shape has specified glue types on its surface, and that the feature size (smallest distance between nonincident edges) is bounded below by a constant. Shape replication necessarily requires a self-assembly model where parts can both attach and detach, and this construction is the first to do so using the natural model of negative/repulsive glues (also studied before for other problems such as fuel-efficient computation); previous replication constructions require more powerful global operations such as an “enzyme” that destroys a subset of the tile types.

BACKGROUND: Despite ongoing reductions in the cost of sequencing technologies, whole genome SNP genotype imputation is often used as an alternative for obtaining abundant SNP genotypes for genome wide association studies. Several existing genotype imputation methods can be efficient for this purpose, while achieving various levels of imputation accuracy. Recent empirical results have shown that the two-step imputation may improve accuracy by imputing the low density genotyped study animals to a medium density array first and then to the target density. We are interested in building a series of staircase arrays that lead the low density array to the high density array or even the whole genome, such that genotype imputation along these staircases can achieve the highest accuracy. RESULTS: For genotype imputation from a lower density to a higher density, we first show how to select untyped SNPs to construct a medium density array. Subsequently, we determine for each selected SNP those untyped SNPs to be imputed in the add-one two-step imputation, and lastly how the clusters of imputed genotype are pieced together as the final imputation result. We design extensive empirical experiments using several hundred sequenced and genotyped animals to demonstrate that our novel two-step piecemeal imputation always achieves an improvement compared to the one-step imputation by the state-of-the-art methods Beagle and FImpute. Using the two-step piecemeal imputation, we present some preliminary success on whole genome SNP genotype imputation for genotyped animals via a series of staircase arrays. CONCLUSIONS: From a low SNP density to the whole genome, intermediate pseudo-arrays can be computationally constructed by selecting the most informative SNPs for untyped SNP genotype imputation. Such pseudo-array staircases are able to impute more accurately than the classic one-step imputation.

For protein structure alignment and comparison, a lot of work has been done using RMSD as the distance measure, which has drawbacks under certain circumstances. Thus, the discrete Fréchet distance was recently applied to the problem of protein (backbone) structure alignment and comparison with promising results. For this problem, visualization is also important because protein chain backbones can have as many as 500-600 $(\alpha)$-carbon atoms, which constitute the vertices in the comparison. Even with an excellent alignment, the similarity of two polygonal chains can be difficult to visualize unless the chains are nearly identical. Thus, the chain pair simplification problem (CPS-3F) was proposed in 2008 to simultaneously simplify both chains with respect to each other under the discrete Fréchet distance. The complexity of CPS-3F is unknown, so heuristic methods have been developed. Here, we define a variation of CPS-3F, called the constrained CPS-3F problem ($({\rm CPS\hbox{-}3F}^+)$), and prove that it is polynomially solvable by presenting a dynamic programming solution, which we then prove is a factor-2 approximation for CPS-3F. We then compare the $({\rm CPS\hbox{-}3F}^+)$ solutions with previous empirical results, and further demonstrate some of the benefits of the simplified comparisons. Chain pair simplification based on the Hausdorff distance (CPS-2H) is known to be NP-complete, and here we prove that the constrained version ($(\rm CPS\hbox{-}2H^+)$) is also NP-complete. Finally, we discuss future work and implications along with a software library implementation, named the Fréchet-based Protein Alignment & Comparison Toolkit (FPACT).