In phylogenetics and other areas of classification, the Buneman graph is commonly used to represent a collection of bipartitions or splits of a (finite) set X in order to display evolutionary relationships. The set X usually corresponds to a set of taxa (or species), and the splits are usually derived from molecular sequence data associated to the taxa. One issue with this approach is that missing molecular data can lead to bipartitions of subsets of X or partial splits, instead of splits of the full set X. In this paper, we show that the definition of the Buneman graph can be naturally extended to collections of partial splits of a set X. Just as with splits, we show that the graph so obtained is an X-labeled median graph but, in contrast to the usual Buneman graph, the elements in X are represented by convex subsets of the vertex set of the graph instead of single vertices. We also show that the Buneman graph for a collection of partial splits is closely related to subtree distances. In particular, for a collection S of weighted partial splits that satisfies a certain pairwise compatibility condition, we show that the corresponding edge-weighted Buneman graph is the unique minimal tree that represents the subtree distance d corresponding to S. Moreover, we show that in this special situation the Buneman graph can also be considered as a type of configuration space for the set of all tree-metrics that minimally extend the subtree distance d.

Summary: Split-networks are a generalization of phylogenetic trees that have proven to be a powerful tool in phylogenetics. Various ways have been developed for computing such networks, including split-decomposition, NeighborNet, QNet and FlatNJ. Some of these approaches are implemented in the user-friendly SplitsTree software package. However, to give the user the option to adjust and extend these approaches and to facilitate their integration into analysis pipelines, there is a need for robust, open-source implementations of associated data structures and algorithms. Here, we present SPECTRE, a readily available, open-source library of data structures written in Java, that comes complete with new implementations of several pre-published algorithms and a basic interactive graphical interface for visualizing planar split networks. SPECTRE also supports the use of longer running algorithms by providing command line interfaces, which can be executed on servers or in High Performance Computing environments. Availability and implementation: Full source code is available under the GPLv3 license at: https://github.com/maplesond/SPECTRE. SPECTRE's core library is available from Maven Central at: https://mvnrepository.com/artifact/uk.ac.uea.cmp.spectre/core. Documentation is available at: http://spectre-suite-of-phylogenetic-tools-for-reticulate-evolution.readthedocs.io/en/latest/. Contact: [email protected]. Supplementary information: Supplementary data are available at Bioinformatics online.

Split networks are a popular tool for the analysis and visualization of complex evolutionary histories. Every collection of splits (bipartitions) of a finite set can be represented by a split network. Here we characterize which collection of splits can be represented using a planar split network. Our main theorem links these collections of splits with oriented matroids and arrangements of lines separating points in the plane. As a consequence of our main theorem, we establish a particularly simple characterization of maximal collections of these splits.

MOTIVATION: Distance methods are well suited for constructing massive phylogenetic trees. However, the computational complexity for Rzhetsky and Nei's minimum evolution (ME) approach, one of the earliest methods for constructing a phylogenetic tree from a distance matrix, remains open. RESULTS: We show that Rzhetsky and Nei's ME problem is NP-complete, and so probably computationally intractable. We do this by linking the ME problem to a graph clustering problem called the quasi-clique decomposition problem, which has recently also been shown to be NP-complete. We also discuss how this link could potentially open up some useful new connections between phylogenetics and graph clustering.

Supertrees are a commonly used tool in phylogenetics to summarize collections of partial phylogenetic trees. As a generalization of supertrees, phylogenetic supernetworks allow, in addition, the visual representation of conflict between the trees that is not possible to observe with a single tree. Here, we introduce SuperQ, a new method for constructing such supernetworks (SuperQ is freely available at >www.uea.ac.uk/computing/superq.). It works by first breaking the input trees into quartet trees, and then stitching these together to form a special kind of phylogenetic network, called a split network. This stitching process is performed using an adaptation of the QNet method for split network reconstruction employing a novel approach to use the branch lengths from the input trees to estimate the branch lengths in the resulting network. Compared with previous supernetwork methods, SuperQ has the advantage of producing a planar network. We compare the performance of SuperQ to the Z-closure and Q-imputation supernetwork methods, and also present an analysis of some published data sets as an illustration of its applicability.

In this paper we consider two challenging problems that arise in the context of computing a consensus of a collection of multilabeled trees, namely (1) selecting a compatible collection of clusters on a multiset from an ordered list of such clusters and (2) optimally refining high degree vertices in a multilabeled tree. Forming such a consensus is part of an approach to reconstruct the evolutionary history of a set of species for which events such as genome duplication and hybridization have occurred in the past. We present exact algorithms for solving (1) and (2) that have an exponential runtime in the worst case. To give some impression of their performance in practice, we apply them to simulated input and to a real biological data set highlighting the impact of several structural properties of the input on the performance.

Split networks are commonly used to visualize collections of bipartitions, also called splits, of a finite set. Such collections arise, for example, in evolutionary studies. Split networks can be viewed as a generalization of phylogenetic trees and may be generated using the SplitsTree package. Recently, the NeighborNet method for generating split networks has become rather popular, in part because it is guaranteed to always generate a circular split system, which can always be displayed by a planar split network. Even so, labels must be placed on the “outside” of the network, which might be problematic in some applications. To help circumvent this problem, it can be helpful to consider so-called flat split systems, which can be displayed by planar split networks where labels are allowed on the inside of the network too. Here, we present a new algorithm that is guaranteed to compute a minimal planar split network displaying a flat split system in polynomial time, provided the split system is given in a certain format. We will also briefly discuss two heuristics that could be useful for analyzing phylogeographic data and that allow the computation of flat split systems in this format in polynomial time.

We consider the following two problems: Map Matching: Given a sequence of (imprecise) location measurements from a mobile user moving on a road network, determine the most likely path in the network this user has travelled along. Prediction of Trajectories: Given the path of where a mobile user has moved along in a road network up to now, predict where he will travel along in the near future. Our map matching algorithm is simple and efficient even in case of very imprecise measurements like GSM-localizations and allows for the real-time tracking of a large number of mobile users on modest hardware. Our proposed path prediction algorithm is equally simple but yields extremely accurate predictions at a very low computational cost.

Multilabeled trees or MUL-trees, for short, are trees whose leaves are labeled by elements of some nonempty finite set X such that more than one leaf may be labeled by the same element of X. This class of trees includes phylogenetic trees and tree shapes. MUL-trees arise naturally in, for example, biogeography and gene evolution studies and also in the area of phylogenetic network reconstruction. In this paper, we introduce novel metrics which may be used to compare MUL-trees, most of which generalize well-known metrics on phylogenetic trees and tree shapes. These metrics can be used, for example, to better understand the space of MUL-trees or to help visualize collections of MUL-trees. In addition, we describe some relationships between the MUL-tree metrics that we present and also give some novel diameter bounds for these metrics. We conclude by briefly discussing some open problems as well as pointing out how MUL-tree metrics may be used to define metrics on the space of phylogenetic networks.

UNLABELLED: Recent advances in gene sequencing for polyploid species, coupled with standard phylogenetic tree reconstruction, leads to gene trees in which the same species can label several leaves. Such multi-labeled trees are then used to reconstruct the evolutionary history of the polyploid species in question. However, this reconstruction process requires new techniques that are not available in current phylogenetic software packages. Here, we describe the software package PADRE (Package for Analyzing and Displaying Reticulate Evolution) that implements such techniques, allowing the reconstruction of complex evolutionary histories for polyploids in the form of phylogenetic networks. AVAILABILITY: PADRE is an open-source Java program freely available from http://www.uea.ac.uk/cmp/research/cmpbio/PADRE.

A straight-line drawing δ of a planar graph G need not be plane but can be made so by untangling it, that is, by moving some of the vertices of G. Let shift(G,δ) denote the minimum number of vertices that need to be moved to untangle δ. We show that shift(G,δ) is NP-hard to compute and to approximate. Our hardness results extend to a version of 1BendPointSetEmbeddability, a well-known graph-drawing problem. Further we define fix(G,δ)=n−shift(G,δ) to be the maximum number of vertices of a planar n-vertex graph G that can be fixed when untangling δ. We give an algorithm that fixes at least $\sqrt{((\log n)-1)/\log\log n}$ vertices when untangling a drawing of an n-vertex graph G. If G is outerplanar, the same algorithm fixes at least $\sqrt{n/2}$ vertices. On the other hand, we construct, for arbitrarily large n, an n-vertex planar graph G and a drawing δ G of G with $\ensuremath {\mathrm {fix}}(G,\delta_{G})\leq \sqrt{n-2}+1$ and an n-vertex outerplanar graph H and a drawing δ H of H with $\ensuremath {\mathrm {fix}}(H,\delta_{H})\leq2\sqrt{n-1}+1$ . Thus our algorithm is asymptotically worst-case optimal for outerplanar graphs.

In conservation biology it is a central problem to measure, predict, and preserve biodiversity as species face extinction. In 1992 Faith proposed measuring the diversity of a collection of species in terms of their relationships on a phylogenetic tree, and to use this information to identify collections of species with high diversity. Here we are interested in some variants of the resulting optimization problem that arise when considering species whose evolution is better represented by a network rather than a tree. More specifically, we consider the problem of computing phylogenetic diversity relative to a split system on a collection of species of size n. We show that for general split systems this problem is NP-hard. In addition we provide some efficient algorithms for some special classes of split systems, in particular presenting an optimal O(n) time algorithm for phylogenetic trees and an O(n log n + nk) time algorithm for choosing an optimal subset of size k relative to a circular split system.