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Rooted phylogenetic networks are used by biologists to infer and represent complex evolutionary relationships between species that cannot be accurately explained by a phylogenetic tree. Tree-child networks are a particular class of rooted phylogenetic networks that has been extensively investigated in recent years. In this paper, we give a novel characterisation of a tree-child network $\mathcal{R}$ in terms of cherry-picking sequences that are sequences on the leaves of $\mathcal{R}$ and reduce it to a single vertex by repeatedly applying one of two reductions to its leaves. We show that our characterisation extends to unrooted tree-child networks which are mostly unexplored in the literature and, in turn, also offers a new approach to settling the computational complexity of deciding if an unrooted phylogenetic network can be oriented as a rooted tree-child network.

A normal network is uniquely determined by the set of phylogenetic trees that it displays. Given a set $\mathcal{P}$ of rooted binary phylogenetic trees, this paper presents a polynomial-time algorithm that reconstructs the unique binary normal network whose set of displayed binary trees is $\mathcal{P}$, if such a network exists. Additionally, we show that any two rooted phylogenetic trees can be displayed by a normal network and show that this result does not extend to more than two trees. This is in contrast to tree-child networks where it has been previously shown that any collection of rooted phylogenetic trees can be displayed by a tree-child network. Lastly, we introduce a type of cherry-picking sequence that characterises when a collection $\mathcal{P}$ of rooted phylogenetic trees can be displayed by a normal network and, further, characterise the minimum number of reticulations needed over all normal networks that display $\mathcal{P}$. We then exploit these sequences to show that, for all $n\ge 3$, there exist two rooted binary phylogenetic trees on $n$ leaves that can be displayed by a tree-child network with a single reticulation, but cannot be displayed by a normal network with less than $n-2$ reticulations.

In comparison to phylogenetic trees, phylogenetic networks are more suitable to represent complex evolutionary histories of species whose past includes reticulation such as hybridisation or lateral gene transfer. However, the reconstruction of phylogenetic networks remains challenging and computationally expensive due to their intricate structural properties. For example, the small parsimony problem that is solvable in polynomial time for phylogenetic trees, becomes NP-hard on phylogenetic networks under softwired and parental parsimony, even for a single binary character and structurally constrained networks. To calculate the parsimony score of a phylogenetic network $N$, these two parsimony notions consider different exponential-size sets of phylogenetic trees that can be extracted from $N$ and infer the minimum parsimony score over all trees in the set. In this paper, we ask: What is the maximum difference between the parsimony score of any phylogenetic tree that is contained in the set of considered trees and a phylogenetic tree whose parsimony score equates to the parsimony score of $N$? Given a gap-free sequence alignment of multi-state characters and a rooted binary level-$k$ phylogenetic network, we use the novel concept of an informative blob to show that this difference is bounded by $k+1$ times the softwired parsimony score of $N$. In particular, the difference is independent of the alignment length and the number of character states. We show that an analogous bound can be obtained for the softwired parsimony score of semi-directed networks, while under parental parsimony on the other hand, such a bound does not hold.

Recently, there has been a growing interest in the relationships between unrooted and rooted phylogenetic networks. In this context, a natural question to ask is if an unrooted phylogenetic network U can be oriented as a rooted phylogenetic network such that the latter satisfies certain structural properties. In a recent preprint, Bulteau et al. claim that it is computational hard to decide if U has a funneled (resp. funneled tree-child) orientation, for when the internal vertices of U have degree at most 5. Unfortunately, the proof of their funneled tree-child result appears to be incorrect. In this paper, we present a corrected proof and show that hardness remains for other popular classes of rooted phylogenetic networks such as funneled normal and funneled reticulation-visible. Additionally, our results hold regardless of whether U is rooted at an existing vertex or by subdividing an edge with the root.

In evolutionary biology, phylogenetic trees are commonly inferred from a set of characters (partitions) of a collection of biological entities (e.g., species or individuals in a population). Such characters naturally arise from molecular sequences or morphological data. Interestingly, it has been known for some time that any binary phylogenetic tree can be (convexly) defined by a set of at most four characters, and that there are binary phylogenetic trees for which three characters are not enough. Thus, it is of interest to characterise those phylogenetic trees that are defined by a set of at most three characters. In this paper, we provide such a characterisation, in particular proving that a binary phylogenetic tree $T$ is defined by a set of at most three characters precisely if $T$ has no internal subtree isomorphic to a certain tree., Comment: 21 pages, 9 figures

Semi-directed phylogenetic networks have recently emerged as a class of phylogenetic networks sitting between rooted (directed) and unrooted (undirected) phylogenetic networks as they contain both directed as well as undirected edges. While the spaces of rooted phylogenetic networks and unrooted phylogenetic networks have been analyzed in recent years and various rearrangement moves to traverse these spaces have been introduced, the results do not immediately carry over to semi-directed phylogenetic networks. Here, we propose a simple rearrangement move for semi-directed phylogenetic networks, called cut edge transfer (CET), and show that the space of semi-directed level-$1$ networks with precisely $k$ reticulations is connected under CET. This level-$1$ space is currently the predominantly used search space for most algorithms that reconstruct semi-directed phylogenetic networks. Hence, every semi-directed level-$1$ network with a fixed number of reticulations and leaf set can be reached from any other such network by a sequence of CETs. By introducing two additional moves, CET$^+$ and CET$^-$, that allow for the addition or deletion of reticulations, we then establish connectedness for the space of all semi-directed phylogenetic networks on a fixed leaf set. As a byproduct of our results for semi-directed phylogenetic networks, we also show that the space of rooted level-$1$ networks with a fixed number of reticulations and leaf set is connected under CET, when translated into the rooted setting.

Phylogenetic networks are a special type of graph which generalize phylogenetic trees and that are used to model non-treelike evolutionary processes such as recombination and hybridization. In this paper, we consider {\em unrooted} phylogenetic networks, i.e. simple, connected graphs $\mathcal{N}=(V,E)$ with leaf set $X$, for $X$ some set of species, in which every internal vertex in $\mathcal{N}$ has degree three. One approach used to construct such phylogenetic networks is to take as input a collection $\mathcal{P}$ of phylogenetic trees and to look for a network $\mathcal{N}$ that contains each tree in $\mathcal{P}$ and that minimizes the quantity $r(\mathcal{N}) = |E|-(|V|-1)$ over all such networks. Such a network always exists, and the quantity $r(\mathcal{N})$ for an optimal network $\mathcal{N}$ is called the hybrid number of $\mathcal{P}$. In this paper, we give a new characterization for the hybrid number in case $\mathcal{P}$ consists of two trees. This characterization is given in terms of a cherry picking sequence for the two trees, although to prove that our characterization holds we need to define the sequence more generally for two forests. Cherry picking sequences have been intensively studied for collections of rooted phylogenetic trees, but our new sequences are the first variant of this concept that can be applied in the unrooted setting. Since the hybrid number of two trees is equal to the well-known tree bisection and reconnection distance between the two trees, our new characterization also provides an alternative way to understand this important tree distance.

In the context of reconstructing phylogenetic networks from a collection of phylogenetic trees, several characterisations and subsequently algorithms have been established to reconstruct a phylogenetic network that collectively embeds all trees in the input in some minimum way. For many instances however, the resulting network also embeds additional phylogenetic trees that are not part of the input. However, little is known about these inferred trees. In this paper, we explore the relationships among all phylogenetic trees that are embedded in a given phylogenetic network. First, we investigate some combinatorial properties of the collection P of all rooted binary phylogenetic trees that are embedded in a rooted binary phylogenetic network N. To this end, we associated a particular graph G, which we call rSPR graph, with the elements in P and show that, if |P|=2^k, where k is the number of vertices with in-degree two in N, then G has a Hamiltonian cycle. Second, by exploiting rSPR graphs and properties of hypercubes, we turn to the well-studied class of rooted binary level-1 networks and give necessary and sufficient conditions for when a set of rooted binary phylogenetic trees can be embedded in a level-1 network without inferring any additional trees. Lastly, we show how these conditions translate into a polynomial-time algorithm to reconstruct such a network if it exists., Comment: final version of accepted manuscript

We describe a kernel of size 9k-8 for the NP-hard problem of computing the Tree Bisection and Reconnect (TBR) distance k between two unrooted binary phylogenetic trees. We achieve this by extending the existing portfolio of reduction rules with three novel new reduction rules. Two of the rules are based on the idea of topologically transforming the trees in a distance-preserving way in order to guarantee execution of earlier reduction rules. The third rule extends the local neighbourhood approach introduced in (Kelk and Linz, Annals of Combinatorics 24(3), 2020) to more global structures, allowing new situations to be identified when deletion of a leaf definitely reduces the TBR distance by one. The bound on the kernel size is tight up to an additive term. Our results also apply to the equivalent problem of computing a Maximum Agreement Forest (MAF) between two unrooted binary phylogenetic trees. We anticipate that our results will be more widely applicable for computing agreement-forest based dissimilarity measures., Comment: 38 pages. In this version a figure has been added, some references have been added, some small typo's have been fixed and the introduction and conclusion have been slightly extended. Submitted for journal review

Phylogenetic (evolutionary) trees and networks are leaf-labeled graphs that are widely used to represent the evolutionary relationships between entities such as species, languages, cancer cells, and viruses. To reconstruct and analyze phylogenetic networks, the problem of deciding whether or not a given rooted phylogenetic network embeds a given rooted phylogenetic tree is of recurring interest. This problem, formally know as Tree Containment, is NP-complete in general and polynomial-time solvable for certain classes of phylogenetic networks. In this paper, we connect ideas from quantum computing and phylogenetics to present an efficient Quadratic Unconstrained Binary Optimization formulation for Tree Containment in the general setting. For an instance (N,T) of Tree Containment, where N is a phylogenetic network with n_N vertices and T is a phylogenetic tree with n_T vertices, the number of logical qubits that are required for our formulation is O(n_N n_T)., Comment: final version accepted for publication in Theoretical Computer Science

The rooted subtree prune and regraft (rSPR) distance between two rooted binary phylogenetic trees is a well-studied measure of topological dissimilarity that is NP-hard to compute. Here we describe an improved linear kernel for the problem. In particular, we show that if the classical subtree and chain reduction rules are augmented with a modified type of chain reduction rule, the resulting trees have at most 9k-3 leaves, where k is the rSPR distance; and that this bound is tight. The previous best-known linear kernel had size O(28k). To achieve this improvement we introduce cyclic generators, which can be viewed as cyclic analogues of the generators used in the phylogenetic networks literature. As a corollary to our main result we also give an improved weighted linear kernel for the minimum hybridization problem on two rooted binary phylogenetic trees.

Quasi-isometries are mappings on graphs, with distance-distortions parameterized by a multiplicative factor and an additive constant. The distance-distortions of quasi-isometries are in a general form that captures a wide range of distance-approximating graph simplifications. This paper introduces quasi-isometries into the field of graph simplifications, which is becoming increasingly important as large-scale graphs gain more and more prevalence. We discuss some general goals of graph simplification under the framework of quasi-isometries, and investigate several constructions of quasi-isometric graph simplifications, namely one based on maximal independent sets and one based on grouping vertices. For the latter construction, we prove that it preserves the centers and medians of trees., Comment: 31 pages, 7 figures, to be submitted to "Discrete Mathematics and Theoretical Computer Science"

In the study of rooted phylogenetic networks, analyzing the set of rooted phylogenetic trees that are embedded in such a network is a recurring task. From an algorithmic viewpoint, this analysis almost always requires an exhaustive search of a particular multiset $S$ of rooted phylogenetic trees that are embedded in a rooted phylogenetic network $\mathcal{N}$. Since the size of $S$ is exponential in the number of reticulations of $\mathcal{N}$, it is consequently of interest to keep this number as small as possible but without loosing any element of $S$. In this paper, we take a first step towards this goal by introducing the notion of a non-essential arc of $\mathcal{N}$, which is an arc whose deletion from $\mathcal{N}$ results in a rooted phylogenetic network $\mathcal{N}'$ such that the sets of rooted phylogenetic trees that are embedded in $\mathcal{N}$ and $\mathcal{N}'$ are the same. We investigate the popular class of tree-child networks and characterize which arcs are non-essential. This characterization is based on a family of directed graphs. Using this novel characterization, we show that identifying and deleting all non-essential arcs in a tree-child network takes time that is cubic in the number of leaves of the network. Moreover, we show that deciding if a given arc of an arbitrary phylogenetic network is non-essential is $\Pi_2^P$-complete.

Phylogenetic trees are leaf-labelled trees used to model the evolution of species. Here we explore the practical impact of kernelization (i.e. data reduction) on the NP-hard problem of computing the TBR distance between two unrooted binary phylogenetic trees. This problem is better-known in the literature as the maximum agreement forest problem, where the goal is to partition the two trees into a minimum number of common, non-overlapping subtrees. We have implemented two well-known reduction rules, the subtree and chain reduction, and five more recent, theoretically stronger reduction rules, and compare the reduction achieved with and without the stronger rules. We find that the new rules yield smaller reduced instances and thus have clear practical added value. In many cases they also cause the TBR distance to decrease in a controlled fashion. Next, we compare the achieved reduction to the known worst-case theoretical bounds of 15k-9 and 11k-9 respectively, on the number of leaves of the two reduced trees, where k is the TBR distance, observing in both cases a far larger reduction in practice. As a by-product of our experimental framework we obtain a number of new insights into the actual computation of TBR distance. We find, for example, that very strong lower bounds on TBR distance can be obtained efficiently by randomly sampling certain carefully constructed partitions of the leaf labels, and identify instances which seem particularly challenging to solve exactly. The reduction rules have been implemented within our new solver Tubro which combines kernelization with an Integer Linear Programming (ILP) approach. Tubro also incorporates a number of additional features, such as a cluster reduction and a practical upper-bounding heuristic, and it can leverage combinatorial insights emerging from the proofs of correctness of the reduction rules to simplify the ILP., Comment: Updated version. New figures and analysis. Accepted for journal publication

We give a counterexample to the conjecture of Martin and Thatte that two balanced rooted binary leaf-labelled trees on $n$ leaves have a maximum agreement subtree (MAST) of size at least $n^{\frac{1}{2}}$. In particular, we show that for any $c>0$, there exist two balanced rooted binary leaf-labelled trees on $n$ leaves such that any MAST for these two trees has size less than $c n^{\frac{1}{2}}$. We also improve the lower bound of the size of such a MAST to $n^{\frac{1}{6}}$.

Recently there has been considerable interest in the problem of finding a phylogenetic network with a minimum number of reticulation vertices which displays a given set of phylogenetic trees, that is, a network with minimum hybrid number. Even so, for certain evolutionary scenarios insisting that a network displays the set of trees can be an overly restrictive assumption. In this paper, we consider the less restrictive notion of displaying called weakly displaying and, in particular, a special case of this which we call rigidly displaying. We characterize when two trees can be rigidly displayed by a temporal tree-child network in terms of fork-picking sequences, a concept that is closely related to that of cherry-picking sequences. We also show that, in case it exists, the rigid hybrid number for two phylogenetic trees is given by a minimum weight fork-picking sequence for the trees, and that the rigid hybrid number can be quite different from the related beaded- and temporal-hybrid numbers.

While every rooted binary phylogenetic tree is determined by its set of displayed rooted triples, such a result does not hold for an arbitrary rooted binary phylogenetic network. In particular, there exist two non-isomorphic rooted binary temporal normal networks that display the same set of rooted triples. Moreover, without any structural constraint on the rooted phylogenetic networks under consideration, similarly negative results have also been established for binets and trinets which are rooted subnetworks on two and three leaves, respectively. Hence, in general, piecing together a rooted phylogenetic network from such a set of small building blocks appears insurmountable. In contrast to these results, in this paper, we show that a rooted binary normal network is determined by its sets of displayed caterpillars (particular type of subtrees) on three and four leaves. The proof is constructive and realises a polynomial-time algorithm that takes the sets of caterpillars on three and four leaves displayed by a rooted binary normal network and, up to isomorphism, reconstructs this network., Comment: 18 pages, 3 figures

The complexity of variants of 3-SAT and Not-All-Equal 3-SAT is well studied. However, in contrast, very little is known about the complexity of the problems' quantified counterparts. In the first part of this paper, we show that $\forall \exists$ 3-SAT is $\Pi_2^P$-complete even if (1) each variable appears exactly twice unnegated and exactly twice negated, (2) each clause is a disjunction of exactly three distinct variables, and (3) the number of universal variables is equal to the number of existential variables. Furthermore, we show that the problem remains $\Pi_2^P$-complete if (1a) each universal variable appears exactly once unnegated and exactly once negated, (1b) each existential variable appears exactly twice unnegated and exactly twice negated, and (2) and (3) remain unchanged. On the other hand, the problem becomes NP-complete for certain variants in which each universal variable appears exactly once. In the second part of the paper, we establish $\Pi_2^P$-completeness for $\forall \exists$ Not-All-Equal 3-SAT even if (1') the Boolean formula is linear and monotone, (2') each universal variable appears exactly once and each existential variable appears exactly three times, and (3') each clause is a disjunction of exactly three distinct variables that contains at most one universal variable. On the positive side, we uncover variants of $\forall \exists$ Not-All-Equal 3-SAT that are co-NP-complete or solvable in polynomial time., Comment: 36 pages; reference corrected in introduction (the result of Karpinski and Piecuch establishes NP-completeness of Not-All-Equal 3-SAT if each variable appears *at most* four times)

Recently it was shown that, if the subtree and chain reduction rules have been applied exhaustively to two unrooted phylogenetic trees, the reduced trees will have at most 15k-9 taxa where k is the TBR (Tree Bisection and Reconnection) distance between the two trees, and that this bound is tight. Here we propose five new reduction rules and show that these further reduce the bound to 11k-9. The new rules combine the ``unrooted generator'' approach introduced in [Kelk and Linz 2018] with a careful analysis of agreement forests to identify (i) situations when chains of length 3 can be further shortened without reducing the TBR distance, and (ii) situations when small subtrees can be identified whose deletion is guaranteed to reduce the TBR distance by 1. To the best of our knowledge these are the first reduction rules that strictly enhance the reductive power of the subtree and chain reduction rules., Comment: Accepted for journal publication. This version contains extra figures. Keywords: fixed-parameter tractability, tree bisection and reconnection, generator, kernelization, agreement forest, phylogenetic network, phylogenetic tree, hybridization number

Phylogenetic trees canonically arise as embeddings of phylogenetic networks. We recently showed that the problem of deciding if two phylogenetic networks embed the same sets of phylogenetic trees is computationally hard, \blue{in particular, we showed it to be $\Pi^P_2$-complete}. In this paper, we establish a polynomial-time algorithm for this decision problem if the initial two networks consists of a normal network and a tree-child network. The running time of the algorithm is quadratic in the size of the leaf sets., Comment: 21 pages, 6 figures

Phylogenetic networks are a generalization of phylogenetic trees to leaf-labeled directed acyclic graphs that represent ancestral relationships between species whose past includes non-tree-like events such as hybridization and horizontal gene transfer. Indeed, each phylogenetic network embeds a collection of phylogenetic trees. Referring to the collection of trees that a given phylogenetic network $N$ embeds as the display set of $N$, several questions in the context of the display set of $N$ have recently been analyzed. For example, the widely studied Tree-Containment problem asks if a given phylogenetic tree is contained in the display set of a given network. The focus of this paper are two questions that naturally arise in comparing the display sets of two phylogenetic networks. First, we analyze the problem of deciding if the display sets of two phylogenetic networks have a tree in common. Surprisingly, this problem turns out to be NP-complete even for two temporal normal networks. Second, we investigate the question of whether or not the display sets of two phylogenetic networks are equal. While we recently showed that this problem is polynomial-time solvable for a normal and a tree-child network, it is computationally hard in the general case. In establishing hardness, we show that the problem is contained in the second level of the polynomial-time hierarchy. Specifically, it is $\Pi_2^P$-complete. Along the way, we show that two other problems are also $\Pi_2^P$-complete, one of which being a generalization of Tree-Containment.

In 2001 Allen and Steel showed that, if subtree and chain reduction rules have been applied to two unrooted phylogenetic trees, the reduced trees will have at most 28k taxa where k is the TBR (Tree Bisection and Reconnection) distance between the two trees. Here we reanalyse Allen and Steel's kernelization algorithm and prove that the reduced instances will in fact have at most 15k-9 taxa. Moreover we show, by describing a family of instances which have exactly 15k-9 taxa after reduction, that this new bound is tight. These instances also have no common clusters, showing that a third commonly-encountered reduction rule, the cluster reduction, cannot further reduce the size of the kernel in the worst case. To achieve these results we introduce and use "unrooted generators" which are analogues of rooted structures that have appeared earlier in the phylogenetic networks literature. Using similar argumentation we show that, for the minimum hybridization problem on two rooted trees, 9k-2 is a tight bound (when subtree and chain reduction rules have been applied) and 9k-4 is a tight bound (when, additionally, the cluster reduction has been applied) on the number of taxa, where k is the hybridization number of the two trees., Comment: One figure added, two small typos fixed. This version to appear in SIDMA (SIAM Journal on Discrete Mathematics)

Phylogenetic networks are rooted directed acyclic graphs that represent evolutionary relationships between species whose past includes reticulation events such as hybridisation and horizontal gene transfer. To search the space of phylogenetic networks, the popular tree rearrangement operation rooted subtree prune and regraft (rSPR) was recently generalised to phylogenetic networks. This new operation - called subnet prune and regraft (SNPR) - induces a metric on the space of all phylogenetic networks as well as on several widely-used network classes. In this paper, we investigate several problems that arise in the context of computing the SNPR-distance. For a phylogenetic tree $T$ and a phylogenetic network $N$, we show how this distance can be computed by considering the set of trees that are embedded in $N$ and then use this result to characterise the SNPR-distance between $T$ and $N$ in terms of agreement forests. Furthermore, we analyse properties of shortest SNPR-sequences between two phylogenetic networks $N$ and $N'$, and answer the question whether or not any of the classes of tree-child, reticulation-visible, or tree-based networks isometrically embeds into the class of all phylogenetic networks under SNPR.

Throughout the last decade, we have seen much progress towards characterising and computing the minimum hybridisation number for a set P of rooted phylogenetic trees. Roughly speaking, this minimum quantifies the number of hybridisation events needed to explain a set of phylogenetic trees by simultaneously embedding them into a phylogenetic network. From a mathematical viewpoint, the notion of agreement forests is the underpinning concept for almost all results that are related to calculating the minimum hybridisation number for when |P|=2. However, despite various attempts, characterising this number in terms of agreement forests for |P|>2 remains elusive. In this paper, we characterise the minimum hybridisation number for when P is of arbitrary size and consists of not necessarily binary trees. Building on our previous work on cherry-picking sequences, we first establish a new characterisation to compute the minimum hybridisation number in the space of tree-child networks. Subsequently, we show how this characterisation extends to the space of all rooted phylogenetic networks. Moreover, we establish a particular hardness result that gives new insight into some of the limitations of agreement forests.

Recently, the minimum number of reticulation events that is required to simultaneously embed a collection P of rooted binary phylogenetic trees into a so-called temporal network has been characterized in terms of cherry-picking sequences. Such a sequence is a particular ordering on the leaves of the trees in P. However, it is well-known that not all collections of phylogenetic trees have a cherry-picking sequence. In this paper, we show that the problem of deciding whether or not P has a cherry-picking sequence is NP-complete for when P contains at least eight rooted binary phylogenetic trees. Moreover, we use automata theory to show that the problem can be solved in polynomial time if the number of trees in P and the number of cherries in each such tree are bounded by a constant., Comment: Accepted for publication in Theoretical Computer Science

Here we show that deciding whether two rooted binary phylogenetic trees on the same set of taxa permit a cherry-picking sequence, a special type of elimination order on the taxa, is NP-complete. This improves on an earlier result which proved hardness for eight or more trees. Via a known equivalence between cherry-picking sequences and temporal phylogenetic networks, our result proves that it is NP-complete to determine the existence of a temporal phylogenetic network that contains topological embeddings of both trees. The hardness result also greatly strengthens previous inapproximability results for the minimum temporal-hybridization number problem. This is the optimization version of the problem where we wish to construct a temporal phylogenetic network that topologically embeds two given rooted binary phylogenetic trees and that has a minimum number of indegree-2 nodes, which represent events such as hybridization and horizontal gene transfer. We end on a positive note, pointing out that fixed parameter tractability results in this area are likely to ensure the continued relevance of the temporal phylogenetic network model., Comment: Fixed some tiny things. Accepted for journal publication

Maximum parsimony is one of the most frequently-discussed tree reconstruction methods in phylogenetic estimation. However, in recent years it has become more and more apparent that phylogenetic trees are often not sufficient to describe evolution accurately. For instance, processes like hybridization or lateral gene transfer that are commonplace in many groups of organisms and result in mosaic patterns of relationships cannot be represented by a single phylogenetic tree. This is why phylogenetic networks, which can display such events, are becoming of more and more interest in phylogenetic research. It is therefore necessary to extend concepts like maximum parsimony from phylogenetic trees to networks. Several suggestions for possible extensions can be found in recent literature, for instance the softwired and the hardwired parsimony concepts. In this paper, we analyze the so-called big parsimony problem under these two concepts, i.e. we investigate maximum parsimonious networks and analyze their properties. In particular, we show that finding a softwired maximum parsimony network is possible in polynomial time. We also show that the set of maximum parsimony networks for the hardwired definition always contains at least one phylogenetic tree. Lastly, we investigate some parallels of parsimony to different likelihood concepts on phylogenetic networks., Comment: 28 pages, 5 figures

A ternary permutation constraint satisfaction problem (CSP) is specified by a subset Pi of the symmetric group S_3. An instance of such a problem consists of a set of variables V and a set of constraints C, where each constraint is an ordered triple of distinct elements from V. The goal is to construct a linear order alpha on V such that, for each constraint (a,b,c) in C, the ordering of a,b,c induced by alpha is in Pi. Excluding symmetries and trivial cases there are 11 such problems, and their complexity is well known. Here we consider the variant of the problem, denoted 2-Pi, where we are allowed to construct two linear orders alpha and beta and each constraint needs to be satisfied by at least one of the two. We give a full complexity classification of all 11 2-Pi problems, observing that in the switch from one to two linear orders the complexity landscape changes quite abruptly and that hardness proofs become rather intricate. We then focus on one of the 11 problems in particular, which is closely related to the '2-Caterpillar Compatibility' problem in the phylogenetics literature. We show that this particular CSP remains hard on three linear orders, and also in the biologically relevant case when we swap three linear orders for three phylogenetic trees, yielding the '3-Tree Compatibility' problem. Due to the biological relevance of this problem we also give extremal results concerning the minimum number of trees required, in the worst case, to satisfy a set of rooted triplet constraints on n leaf labels.

The search space of rooted phylogenetic trees is vast and a major research focus of recent decades has been the development of algorithms to effectively navigate this space. However this space is tiny when compared with the space of rooted phylogenetic networks, and navigating this enlarged space remains a poorly understood problem. This, and the difficulty of biologically interpreting such networks, obstructs adoption of networks as tools for modelling reticulation. Here, we argue that the superimposition of biologically motivated constraints, via an SQL-style language, can both stimulate use of network software by biologists and potentially significantly prune the search space., Comment: opinion piece

A major problem for inferring species trees from gene trees is that evolutionary processes can sometimes favour gene tree topologies that conflict with an underlying species tree. In the case of incomplete lineage sorting, this phenomenon has recently been well-studied, and some elegant solutions for species tree reconstruction have been proposed. One particularly simple and statistically consistent estimator of the species tree under incomplete lineage sorting is to combine three-taxon analyses, which are phylogenetically robust to incomplete lineage sorting. In this paper, we consider whether such an approach will also work under lateral gene transfer (LGT). By providing an exact analysis of some cases of this model, we show that there is a zone of inconsistency for triplet-based species tree reconstruction under LGT. However, a triplet-based approach will consistently reconstruct a species tree under models of LGT, provided that the expected number of LGT transfers is not too high. Our analysis involves a novel connection between the LGT problem and random walks on cyclic graphs. We have implemented a procedure for reconstructing trees subject to LGT or lineage sorting in settings where taxon coverage may be patchy and illustrate its use on two sample data sets., Comment: 19 pages, 9 figures

It has recently been shown that the NP-hard problem of calculating the minimum number of hybridization events that is needed to explain a set of rooted binary phylogenetic trees by means of a hybridization network is fixed-parameter tractable if an instance of the problem consists of precisely two such trees. In this paper, we show that this problem remains fixed-parameter tractable for an arbitrarily large set of rooted binary phylogenetic trees. In particular, we present a quadratic kernel.

We show that the problem of computing the hybridization number of two rooted binary phylogenetic trees on the same set of taxa X has a constant factor polynomial-time approximation if and only if the problem of computing a minimum-size feedback vertex set in a directed graph (DFVS) has a constant factor polynomial-time approximation. The latter problem, which asks for a minimum number of vertices to be removed from a directed graph to transform it into a directed acyclic graph, is one of the problems in Karp's seminal 1972 list of 21 NP-complete problems. However, despite considerable attention from the combinatorial optimization community it remains to this day unknown whether a constant factor polynomial-time approximation exists for DFVS. Our result thus places the (in)approximability of hybridization number in a much broader complexity context, and as a consequence we obtain that hybridization number inherits inapproximability results from the problem Vertex Cover. On the positive side, we use results from the DFVS literature to give an O(log r log log r) approximation for hybridization number, where r is the value of an optimal solution to the hybridization number problem.

Recently, considerable effort has been put into developing fast algorithms to reconstruct a rooted phylogenetic network that explains two rooted phylogenetic trees and has a minimum number of hybridization vertices. With the standard approach to tackle this problem being combinatorial, the reconstructed network is rarely unique. From a biological point of view, it is therefore of importance to not only compute one network, but all possible networks. In this paper, we make a first step towards approaching this goal by presenting the first algorithm---called allMAAFs---that calculates all maximum-acyclic-agreement forests for two rooted binary phylogenetic trees on the same set of taxa., Comment: 21 pages, 5 figures

We show that two important problems that have applications in computational biology are ASP-complete, which implies that, given a solution to a problem, it is NP-complete to decide if another solution exists. We show first that a variation of Betweenness, which is the underlying problem of questions related to radiation hybrid mapping, is ASP-complete. Subsequently, we use that result to show that Quartet Compatibility, a fundamental problem in phylogenetics that asks whether a set of quartets can be represented by a parent tree, is also ASP-complete. The latter result shows that Steel's \sc Quartet Challenge, which asks whether a solution to Quartet Compatibility is unique, is coNP-complete., Comment: 25 pages, 7 figures