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Network Phylogenetic Diversity (Network-PD) is a measure for the diversity of a set of species based on a rooted phylogenetic network (with branch lengths and inheritance probabilities on the reticulation edges) describing the evolution of those species. We consider the \textsc{Max-Network-PD} problem: given such a network, find~$k$ species with maximum Network-PD score. We show that this problem is fixed-parameter tractable (FPT) for binary networks, by describing an optimal algorithm running in $\mathcal{O}(2^r \log (k)(n+r))$~time, with~$n$ the total number of species in the network and~$r$ its reticulation number. Furthermore, we show that \textsc{Max-Network-PD} is NP-hard for level-1 networks, proving that, unless P$=$NP, the FPT approach cannot be extended by using the level as parameter instead of the reticulation number.

Measures of phylogenetic balance, such as the Colless and Sackin indices, play an important role in phylogenetics. Unfortunately, these indices are specifically designed for phylogenetic trees, and do not extend naturally to phylogenetic networks (which are increasingly used to describe reticulate evolution). This led us to consider a lesser-known balance index, whose definition is based on a probabilistic interpretation that is equally applicable to trees and to networks. This index, known as the $B_2$ index, was first proposed by Shao and Sokal in 1990. Surprisingly, it does not seem to have been studied mathematically since. Likewise, it is used only sporadically in the biological literature, where it tends to be viewed as arcane. In this paper, we study mathematical properties of $B_2$ such as its expectation and variance under the most common models of random trees and its extremal values over various classes of phylogenetic networks. We also assess its relevance in biological applications, and find it to be comparable to that of the Colless and Sackin indices. Altogether, our results call for a reevaluation of the status of this somewhat forgotten measure of phylogenetic balance.

The multispecies coalescent process models the genealogical relationships of genes sampled from several species, enabling useful predictions about phenomena such as the discordance between the gene tree and the species phylogeny due to incomplete lineage sorting. Conversely, knowledge of large collections of gene trees can inform us about several aspects of the species phylogeny, such as its topology and ancestral population sizes. A fundamental open problem in this context is how to efficiently compute the probability of a gene tree topology, given the species phylogeny. Although a number of algorithms for this task have been proposed, they either produce approximate results, or, when they are exact, they do not scale to large data sets. In this paper, we present some progress towards exact and efficient computation of the probability of a gene tree topology. We provide a new algorithm that, given a species tree and the number of genes sampled for each species, calculates the probability that the gene tree topology will be concordant with the species tree. Moreover, we provide an algorithm that computes the probability of any specific gene tree topology concordant with the species tree. Both algorithms run in polynomial time and have been implemented in Python. Experiments show that they are able to analyse data sets where thousands of genes are sampled, in a matter of minutes to hours.

In this article, we investigate different parsimony-based approaches towards finding recombination breakpoints in a multiple sequence alignment. This recombination detection task is crucial in order to avoid errors in evolutionary analyses caused by mixing together portions of sequences which had a different evolution history. Following an overview of the field of recombination detection, we formulate four computational problems for this task with different objective functions. The four problems aim to minimize (1) the total homoplasy of all blocks (2) the maximum homoplasy per block (3) the total homoplasy ratio of all blocks and (4) the maximum homoplasy ratio per block. We describe algorithms for each of these problems, which are fixed-parameter tractable (FPT) when the characters are binary. We have implemented and tested the algorithms on simulated data, showing that minimizing the total homoplasy gives, in most cases, the most accurate results. Our implementation and experimental data have been made publicly available. Finally, we also consider the problem of combining blocks into non-contiguous blocks consisting of at most p contiguous parts. Fixing the homoplasy h of each block to 0, we show that this problem is NP-hard when p >= 3, but polynomial-time solvable for p = 2. Furthermore, the problem is FPT with parameter h for binary characters when p = 2. A number of interesting problems remain open.

Phylogenetic networks generalize phylogenetic trees by allowing the modelization of events of reticulate evolution. Among the different kinds of phylogenetic networks that have been proposed in the literature, the subclass of binary tree-child networks is one of the most studied ones. However, very little is known about the combinatorial structure of these networks. In this paper we address the problem of generating all possible binary tree-child networks with a given number of leaves in an efficient way via reduction/augmentation operations that extend and generalize analogous operations for phylogenetic trees and are biologically relevant. Since our solution is recursive, this also provides us with a recurrence relation giving an upper bound on the number of such networks.

Tree comparison metrics have proven to be an invaluable aide in the reconstruction and analysis of phylogenetic (evolutionary) trees. The path-length distance between trees is a particularly attractive measure as it reflects differences in tree shape as well as differences between branch lengths. The distance equals the sum, over all pairs of taxa, of the squared differences between the lengths of the unique path connecting them in each tree. We describe an $O(n \log n)$ time for computing this distance, making extensive use of tree decomposition techniques introduced by Brodal et al. (2004).

Reconciling gene trees with a species tree is a fundamental problem to understand the evolution of gene families. Many existing approaches reconcile each gene tree independently. However, it is well-known that the evolution of gene families is interconnected. In this paper, we extend a previous approach to reconcile a set of gene trees with a species tree based on segmental macro-evolutionary events, where segmental duplication events and losses are associated with cost $\delta$ and $\lambda$, respectively. We show that the problem is polynomial-time solvable when $\delta \leq \lambda$ (via LCA-mapping), while if $\delta > \lambda$ the problem is NP-hard, even when $\lambda = 0$ and a single gene tree is given, solving a long standing open problem on the complexity of the reconciliation problem. On the positive side, we give a fixed-parameter algorithm for the problem, where the parameters are $\delta/\lambda$ and the number $d$ of segmental duplications, of time complexity $O(\lceil \frac{\delta}{\lambda} \rceil^{d} \cdot n \cdot \frac{\delta}{\lambda})$. Finally, we demonstrate the usefulness of this algorithm on two previously studied real datasets: we first show that our method can be used to confirm or refute hypothetical segmental duplications on a set of 16 eukaryotes, then show how we can detect whole genome duplications in yeast genomes., Comment: 23 pages, 7 figures, WABI 2018

Popular methods for exploring the space of rooted phylogenetic trees use rearrangement moves such as rNNI (rooted Nearest Neighbour Interchange) and rSPR (rooted Subtree Prune and Regraft). Recently, these moves were generalized to rooted phylogenetic networks, which are a more suitable representation of reticulate evolutionary histories, and it was shown that any two rooted phylogenetic networks of the same complexity are connected by a sequence of either rSPR or rNNI moves. Here, we show that this is possible using only tail moves, which are a restricted version of rSPR moves on networks that are more closely related to rSPR moves on trees. The connectedness still holds even when we restrict to distance-1 tail moves (a localized version of tail-moves). Moreover, we give bounds on the number of (distance-1) tail moves necessary to turn one network into another, which in turn yield new bounds for rSPR, rNNI and SPR (i.e. the equivalent of rSPR on unrooted networks). The upper bounds are constructive, meaning that we can actually find a sequence with at most this length for any pair of networks. Finally, we show that finding a shortest sequence of tail or rSPR moves is NP-hard., Comment: 34 pages, 22 figures

Phylogenetic networks are often constructed by merging multiple conflicting phylogenetic signals into a directed acyclic graph. It is interesting to explore whether a network constructed in this way induces biologically-relevant phylogenetic signals that were not present in the input. Here we show that, given a multiple alignment A for a set of taxa X and a rooted phylogenetic network N whose leaves are labelled by X, it is NP-hard to locate the most parsimonious phylogenetic tree displayed by N (with respect to A) even when the level of N - the maximum number of reticulation nodes within a biconnected component - is 1 and A contains only 2 distinct states. (If, additionally, gaps are allowed the problem becomes APX-hard.) We also show that under the same conditions, and assuming a simple binary symmetric model of character evolution, finding the most likely tree displayed by the network is NP-hard. These negative results contrast with earlier work on parsimony in which it is shown that if A consists of a single column the problem is fixed parameter tractable in the level. We conclude with a discussion of why, despite the NP-hardness, both the parsimony and likelihood problem can likely be well-solved in practice.

Understanding the evolution of a set of genes or species is a fundamental problem in evolutionary biology. The problem we study here takes as input a set of trees describing {possibly discordant} evolutionary scenarios for a given set of genes or species, and aims at finding a single tree that minimizes the leaf-removal distance to the input trees. This problem is a specific instance of the general consensus/supertree problem, widely used to combine or summarize discordant evolutionary trees. The problem we introduce is specifically tailored to address the case of discrepancies between the input trees due to the misplacement of individual taxa. Most supertree or consensus tree problems are computationally intractable, and we show that the problem we introduce is also NP-hard. We provide tractability results in form of a 2-approximation algorithm. We also introduce a variant that minimizes the maximum number $d$ of leaves that are removed from any input tree, and provide a parameterized algorithm for this problem with parameter $d$.

Orthology and paralogy relations are often inferred by methods based on gene similarity, which usually yield a graph depicting the relationships between gene pairs. Such relation graphs are known to frequently contain errors, as they cannot be explained via a gene tree that both contains the depicted orthologs/paralogs, and that is consistent with a species tree $S$. This idea of detecting errors through inconsistency with a species tree has mostly been studied in the presence of speciation and duplication events only. In this work, we ask: could the given set of relations be consistent if we allow lateral gene transfers in the evolutionary model? We formalize this question and provide a variety of algorithmic results regarding the underlying problems. Namely, we show that deciding if a relation graph $R$ is consistent with a given species network $N$ is NP-hard, and that it is W[1]-hard under the parameter "minimum number of transfers". However, we present an FPT algorithm based on the degree of the $DS$-tree associated with $R$. We also study analogous problems in the case that the transfer highways on a species tree are unknown.

In phylogenetics, the consensus problem consists in summarizing a set of phylogenetic trees that all classify the same set of species into a single tree. Several definitions of consensus exist in the literature; in this paper we focus on the Weighted Quartet Consensus problem, a problem with unknown complexity status so far. Here we prove that the Weighted Quartet Consensus problem is NP-hard and we give a 1/2-factor approximation for this problem. During the process, we propose a derandomization procedure of a previously known randomized 1/3-factor approximation. We also investigate the fixed-parameter tractability of this problem.

Phylogenetic networks are increasingly used in evolutionary biology to represent the history of species that have undergone reticulate events such as horizontal gene transfer, hybrid speciation and recombination. One of the most fundamental questions that arise in this context is whether the evolution of a gene with one copy in all species can be explained by a given network. In mathematical terms, this is often translated in the following way: is a given phylogenetic tree contained in a given phylogenetic network? Recently this tree containment problem has been widely investigated from a computational perspective, but most studies have only focused on the topology of the phylo- genies, ignoring a piece of information that, in the case of phylogenetic trees, is routinely inferred by evolutionary analyses: branch lengths. These measure the amount of change (e.g., nucleotide substitutions) that has occurred along each branch of the phylogeny. Here, we study a number of versions of the tree containment problem that explicitly account for branch lengths. We show that, although length information has the potential to locate more precisely a tree within a network, the problem is computationally hard in its most general form. On a positive note, for a number of special cases of biological relevance, we provide algorithms that solve this problem efficiently. This includes the case of networks of limited complexity, for which it is possible to recover, among the trees contained by the network with the same topology as the input tree, the closest one in terms of branch lengths.

In phylogenetics, a central problem is to infer the evolutionary relationships between a set of species $X$; these relationships are often depicted via a phylogenetic tree -- a tree having its leaves univocally labeled by elements of $X$ and without degree-2 nodes -- called the "species tree". One common approach for reconstructing a species tree consists in first constructing several phylogenetic trees from primary data (e.g. DNA sequences originating from some species in $X$), and then constructing a single phylogenetic tree maximizing the "concordance" with the input trees. The so-obtained tree is our estimation of the species tree and, when the input trees are defined on overlapping -- but not identical -- sets of labels, is called "supertree". In this paper, we focus on two problems that are central when combining phylogenetic trees into a supertree: the compatibility and the strict compatibility problems for unrooted phylogenetic trees. These problems are strongly related, respectively, to the notions of "containing as a minor" and "containing as a topological minor" in the graph community. Both problems are known to be fixed-parameter tractable in the number of input trees $k$, by using their expressibility in Monadic Second Order Logic and a reduction to graphs of bounded treewidth. Motivated by the fact that the dependency on $k$ of these algorithms is prohibitively large, we give the first explicit dynamic programming algorithms for solving these problems, both running in time $2^{O(k^2)} \cdot n$, where $n$ is the total size of the input., Comment: 18 pages, 1 figure

Within the field of phylogenetics there is growing interest in measures for summarising the dissimilarity, or 'incongruence', of two or more phylogenetic trees. Many of these measures are NP-hard to compute and this has stimulated a considerable volume of research into fixed parameter tractable algorithms. In this article we use Monadic Second Order logic (MSOL) to give alternative, compact proofs of fixed parameter tractability for several well-known incongruency measures. In doing so we wish to demonstrate the considerable potential of MSOL - machinery still largely unknown outside the algorithmic graph theory community - within phylogenetics. A crucial component of this work is the observation that many of these measures, when bounded, imply the existence of an 'agreement forest' of bounded size, which in turn implies that an auxiliary graph structure, the display graph, has bounded treewidth. It is this bound on treewidth that makes the machinery of MSOL available for proving fixed parameter tractability. We give a variety of different MSOL formulations. Some are based on explicitly encoding agreement forests, while some only use them implicitly to generate the treewidth bound. Our formulations introduce a number of "phylogenetics MSOL primitives" which will hopefully be of use to other researchers.

Binets and trinets are phylogenetic networks with two and three leaves, respectively. Here we consider the problem of deciding if there exists a binary level-1 phylogenetic network displaying a given set $\mathcal{T}$ of binary binets or trinets over a set $X$ of taxa, and constructing such a network whenever it exists. We show that this is NP-hard for trinets but polynomial-time solvable for binets. Moreover, we show that the problem is still polynomial-time solvable for inputs consisting of binets and trinets as long as the cycles in the trinets have size three. Finally, we present an $O(3^{|X|} poly(|X|))$ time algorithm for general sets of binets and trinets. The latter two algorithms generalise to instances containing level-1 networks with arbitrarily many leaves, and thus provide some of the first supernetwork algorithms for computing networks from a set of rooted phylogenetic networks.

Reconciliation methods aim at recovering macro evolutionary events and at localizing them in the species history, by observing discrepancies between gene family trees and species trees. In this article we introduce an Integer Linear Programming (ILP) approach for the NP-hard problem of computing a most parsimonious time-consistent reconciliation of a gene tree with a species tree when dating information on speciations is not available. The ILP formulation, which builds upon the DTL model, returns a most parsimonious reconciliation ranging over all possible datings of the nodes of the species tree. By studying its performance on plausible simulated data we conclude that the ILP approach is significantly faster than a brute force search through the space of all possible species tree datings. Although the ILP formulation is currently limited to small trees, we believe that it is an important proof-of-concept which opens the door to the possibility of developing an exact, parsimony based approach to dating species trees. The software (ILPEACE) is freely available for download.

Given a finite set $X$, a collection $\mathcal{T}$ of rooted phylogenetic trees on $X$ and an integer $k$, the Hybridization Number problem asks if there exists a phylogenetic network on $X$ that displays all trees from $\mathcal{T}$ and has reticulation number at most $k$. We show two kernelization algorithms for Hybridization Number, with kernel sizes $4k(5k)^t$ and $20k^2(\Delta^+-1)$ respectively, with $t$ the number of input trees and $\Delta^+$ their maximum outdegree. Experiments on simulated data demonstrate the practical relevance of these kernelization algorithms. In addition, we present an $n^{f(k)}t$-time algorithm, with $n=|X|$ and $f$ some computable function of $k$.

Phylogenetic networks are used to display the relationship of different species whose evolution is not treelike, which is the case, for instance, in the presence of hybridization events or horizontal gene transfers. Tree inference methods such as Maximum Parsimony need to be modified in order to be applicable to networks. In this paper, we discuss two different definitions of Maximum Parsimony on networks, "hardwired" and "softwired", and examine the complexity of computing them given a network topology and a character. By exploiting a link with the problem Multicut, we show that computing the hardwired parsimony score for 2-state characters is polynomial-time solvable, while for characters with more states this problem becomes NP-hard but is still approximable and fixed parameter tractable in the parsimony score. On the other hand we show that, for the softwired definition, obtaining even weak approximation guarantees is already difficult for binary characters and restricted network topologies, and fixed-parameter tractable algorithms in the parsimony score are unlikely. On the positive side we show that computing the softwired parsimony score is fixed-parameter tractable in the level of the network, a natural parameter describing how tangled reticulate activity is in the network. Finally, we show that both the hardwired and softwired parsimony score can be computed efficiently using Integer Linear Programming. The software has been made freely available.

It has remained an open question for some time whether, given a set of not necessarily binary (i.e. "nonbinary") trees T on a set of taxa X, it is possible to determine in time f(r).poly(m) whether there exists a phylogenetic network that displays all the trees in T, where r refers to the reticulation number of the network and m=|X|+|T|. Here we show that this holds if one or both of the following conditions holds: (1) |T| is bounded by a function of r; (2) the maximum degree of the nodes in T is bounded by a function of r. These sufficient conditions absorb and significantly extend known special cases, namely when all the trees in T are binary, or T contains exactly two nonbinary trees. We believe this result is an important step towards settling the issue for an arbitrarily large and complex set of nonbinary trees. For completeness we show that the problem is certainly solveable in polynomial time., Comment: have fixed a number of small typo's etc

Reticulate events play an important role in determining evolutionary relationships. The problem of computing the minimum number of such events to explain discordance between two phylogenetic trees is a hard computational problem. Even for binary trees, exact solvers struggle to solve instances with reticulation number larger than 40-50. Here we present CycleKiller and NonbinaryCycleKiller, the first methods to produce solutions verifiably close to optimality for instances with hundreds or even thousands of reticulations. Using simulations, we demonstrate that these algorithms run quickly for large and difficult instances, producing solutions that are very close to optimality. As a spin-off from our simulations we also present TerminusEst, which is the fastest exact method currently available that can handle nonbinary trees: this is used to measure the accuracy of the NonbinaryCycleKiller algorithm. All three methods are based on extensions of previous theoretical work and are publicly available. We also apply our methods to real data.

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

Here we show that, given a set of clusters C on a set of taxa X, where |X|=n, it is possible to determine in time f(k).poly(n) whether there exists a level-<= k network (i.e. a network where each biconnected component has reticulation number at most k) that represents all the clusters in C in the softwired sense, and if so to construct such a network. This extends a polynomial time result from "On the elusiveness of clusters" by Kelk, Scornavacca and Van Iersel(2011). By generalizing the concept of "level-k generator" to general networks, we then extend this fixed parameter tractability result to the problem where k refers not to the level but to the reticulation number of the whole network., Comment: Submitted

Rooted phylogenetic networks are often used to represent conflicting phylogenetic signals. Given a set of clusters, a network is said to represent these clusters in the "softwired" sense if, for each cluster in the input set, at least one tree embedded in the network contains that cluster. Motivated by parsimony we might wish to construct such a network using as few reticulations as possible, or minimizing the "level" of the network, i.e. the maximum number of reticulations used in any "tangled" region of the network. Although these are NP-hard problems, here we prove that, for every fixed k >= 0, it is polynomial-time solvable to construct a phylogenetic network with level equal to k representing a cluster set, or to determine that no such network exists. However, this algorithm does not lend itself to a practical implementation. We also prove that the comparatively efficient Cass algorithm correctly solves this problem (and also minimizes the reticulation number) when input clusters are obtained from two not necessarily binary gene trees on the same set of taxa but does not always minimize level for general cluster sets. Finally, we describe a new algorithm which generates in polynomial-time all binary phylogenetic networks with exactly r reticulations representing a set of input clusters (for every fixed r >= 0)., Comment: Submitted