arXiv subjects

Vincent Moulton

Publications and source records attributed to Vincent Moulton.

72 records · Page 4Linked to original sources

arXiv2017

Binets: fundamental building blocks for phylogenetic networks

Phylogenetic networks are a generalization of evolutionary trees that are used by biologists to represent the evolution of organisms which have undergone reticulate evolution. Essentially, a phylogenetic network is a directed acyclic graph having a unique root in which the leaves are labelled by a given set of species. Recently, some approaches have been developed to construct phylogenetic networks from collections of networks on 2- and 3-leaved networks, which are known as binets and trinets, respectively. Here we study in more depth properties of collections of binets, one of the simplest possible types of networks into which a phylogenetic network can be decomposed. More specifically, we show that if a collection of level-1 binets is compatible with some binary network, then it is also compatible with a binary level-1 network. Our proofs are based on useful structural results concerning lowest stable ancestors in networks. In addition, we show that, although the binets do not determine the topology of the network, they do determine the number of reticulations in the network, which is one of its most important parameters. We also consider algorithmic questions concerning binets. We show that deciding whether an arbitrary set of binets is compatible with some network is at least as hard as the well-known Graph Isomorphism problem. However, if we restrict to level-1 binets, it is possible to decide in polynomial time whether there exists a binary network that displays all the binets. We also show that to find a network that displays a maximum number of the binets is NP-hard, but that there exists a simple polynomial-time 1/3-approximation algorithm for this problem. It is hoped that these results will eventually assist in the development of new methods for constructing phylogenetic networks from collections of smaller networks.

q-bio.PE↗

arXiv2016

Reduction rules for the maximum parsimony distance on phylogenetic trees

In phylogenetics, distances are often used to measure the incongruence between a pair of phylogenetic trees that are reconstructed by different methods or using different regions of genome. Motivated by the maximum parsimony principle in tree inference, we recently introduced the maximum parsimony (MP) distance, which enjoys various attractive properties due to its connection with several other well-known tree distances, such as TBR and SPR. Here we show that computing the MP distance between two trees, a NP-hard problem in general, is fixed parameter tractable in terms of the TBR distance between the tree pair. Our approach is based on two reduction rules--the chain reduction and the subtree reduction--that are widely used in computing TBR and SPR distances. More precisely, we show that reducing chains to length 4 (but not shorter) preserves the MP distance. In addition, we describe a generalization of the subtree reduction which allows the pendant subtrees to be rooted in different places, and show that this still preserves the MP distance. On a slightly different note we also show that Monadic Second Order Logic (MSOL), posited over an auxiliary graph structure known as the display graph (obtained by merging the two trees at their leaves), can be used to obtain an alternative proof that computation of MP distance is fixed parameter tractable in terms of TBR-distance. We conclude with an extended discussion in which we focus on similarities and differences between MP distance and TBR distance and present a number of open problems. One particularly intriguing question, emerging from the MSOL formulation, is whether two trees with bounded MP distance induce display graphs of bounded treewidth.

q-bio.PE↗

arXiv2016

Transforming phylogenetic networks: Moving beyond tree space

Phylogenetic networks are a generalization of phylogenetic trees that are used to represent reticulate evolution. Unrooted phylogenetic networks form a special class of such networks, which naturally generalize unrooted phylogenetic trees. In this paper we define two operations on unrooted phylogenetic networks, one of which is a generalization of the well-known nearest-neighbor interchange (NNI) operation on phylogenetic trees. We show that any unrooted phylogenetic network can be transformed into any other such network using only these operations. This generalizes the well-known fact that any phylogenetic tree can be transformed into any other such tree using only NNI operations. It also allows us to define a generalization of tree space and to define some new metrics on unrooted phylogenetic networks. To prove our main results, we employ some fascinating new connections between phylogenetic networks and cubic graphs that we have recently discovered. Our results should be useful in developing new strategies to search for optimal phylogenetic networks, a topic that has recently generated some interest in the literature, as well as for providing new ways to compare networks.

q-bio.PE↗

arXiv2015

Folding and unfolding phylogenetic trees and networks

Phylogenetic networks are rooted, labelled directed acyclic graphs which are commonly used to represent reticulate evolution. There is a close relationship between phylogenetic networks and multi-labelled trees (MUL-trees). Indeed, any phylogenetic network $N$ can be 'unfolded' to obtain a MUL-tree $U(N)$ and, conversely, a MUL-tree $T$ can in certain circumstances be 'folded' to obtain a phylogenetic network $F(T)$ that exhibits $T$. In this paper, we study properties of the operations $U$ and $F$ in more detail. In particular, we introduce the class of stable networks, phylogenetic networks $N$ for which $F(U(N))$ is isomorphic to $N$, characterise such networks, and show that that they are related to the well-known class of tree-sibling networks. We also explore how the concept of displaying a tree in a network $N$ can be related to displaying the tree in the MUL-tree $U(N)$. To do this, we develop a phylogenetic analogue of graph fibrations. This allows us to view $U(N)$ as the analogue of the universal cover of a digraph, and to establish a close connection between displaying trees in $U(N)$ and reconciling phylogenetic trees with networks.

q-bio.PE↗

arXiv2015

Optimal realisations of two-dimensional, totally-decomposable metrics

A realisation of a metric $d$ on a finite set $X$ is a weighted graph $(G,w)$ whose vertex set contains $X$ such that the shortest-path distance between elements of $X$ considered as vertices in $G$ is equal to $d$. Such a realisation $(G,w)$ is called optimal if the sum of its edge weights is minimal over all such realisations. Optimal realisations always exist, although it is NP-hard to compute them in general, and they have applications in areas such as phylogenetics, electrical networks and internet tomography. In [Adv. in Math. 53, 1984, 321-402] A.~Dress showed that the optimal realisations of a metric $d$ are closely related to a certain polytopal complex that can be canonically associated to $d$ called its tight-span. Moreover, he conjectured that the (weighted) graph consisting of the zero- and one-dimensional faces of the tight-span of $d$ must always contain an optimal realisation as a homeomorphic subgraph. In this paper, we prove that this conjecture does indeed hold for a certain class of metrics, namely the class of totally"=decomposable metrics whose tight-span has dimension two. As a corollary, it follows that the minimum Manhattan network problem is a special case of finding optimal realisations of two-dimensional totally-decomposable metrics.

math.CO↗

arXiv2014

Computing the blocks of a quasi-median graph

Quasi-median graphs are a tool commonly used by evolutionary biologists to visualise the evolution of molecular sequences. As with any graph, a quasi-median graph can contain cut vertices, that is, vertices whose removal disconnect the graph. These vertices induce a decomposition of the graph into blocks, that is, maximal subgraphs which do not contain any cut vertices. Here we show that the special structure of quasi-median graphs can be used to compute their blocks without having to compute the whole graph. In particular we present an algorithm that, for a collection of $n$ aligned sequences of length $m$, can compute the blocks of the associated quasi-median graph together with the information required to correctly connect these blocks together in run time $\mathcal O(n^2m^2)$, independent of the size of the sequence alphabet. Our primary motivation for presenting this algorithm is the fact that the quasi-median graph associated to a sequence alignment must contain all most parsimonious trees for the alignment, and therefore precomputing the blocks of the graph has the potential to help speed up any method for computing such trees.

math.CO↗

arXiv2014

Searching for Realizations of Finite Metric Spaces in Tight Spans

An important problem that commonly arises in areas such as internet traffic-flow analysis, phylogenetics and electrical circuit design, is to find a representation of any given metric $D$ on a finite set by an edge-weighted graph, such that the total edge length of the graph is minimum over all such graphs. Such a graph is called an optimal realization and finding such realizations is known to be NP-hard. Recently Varone presented a heuristic greedy algorithm for computing optimal realizations. Here we present an alternative heuristic that exploits the relationship between realizations of the metric $D$ and its so-called tight span $T_D$. The tight span $T_D$ is a canonical polytopal complex that can be associated to $D$, and our approach explores parts of $T_D$ for realizations in a way that is similar to the classical simplex algorithm. We also provide computational results illustrating the performance of our approach for different types of metrics, including $l_1$-distances and two-decomposable metrics for which it is provably possible to find optimal realizations in their tight spans.

math.MG↗

arXiv2014

Reconstructing phylogenetic level-1 networks from nondense binet and trinet sets

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.

cs.DS↗

arXiv2014

Representing Partitions on Trees

In evolutionary biology, biologists often face the problem of constructing a phylogenetic tree on a set $X$ of species from a multiset $Π$ of partitions corresponding to various attributes of these species. One approach that is used to solve this problem is to try instead to associate a tree (or even a network) to the multiset $Σ_Π$ consisting of all those bipartitions $\{A,X-A\}$ with $A$ a part of some partition in $Π$. The rational behind this approach is that a phylogenetic tree with leaf set $X$ can be uniquely represented by the set of bipartitions of $X$ induced by its edges. Motivated by these considerations, given a multiset $Σ$ of bipartitions corresponding to a phylogenetic tree on $X$, in this paper we introduce and study the set $P(Σ)$ consisting of those multisets of partitions $Π$ of $X$ with $Σ_Π=Σ$. More specifically, we characterize when $P(Σ)$ is non-empty, and also identify some partitions in $P(Σ)$ that are of maximum and minimum size. We also show that it is NP-complete to decide when $P(Σ)$ is non-empty in case $Σ$ is an arbitrary multiset of bipartitions of $X$. Ultimately, we hope that by gaining a better understanding of the mapping that takes an arbitrary partition system $Π$ to the multiset $Σ_Π$, we will obtain new insights into the use of median networks and, more generally, split-networks to visualize sets of partitions.

math.CO↗

arXiv2012

Trinets encode tree-child and level-2 phylogenetic networks

Phylogenetic networks generalize evolutionary trees, and are commonly used to represent evolutionary histories of species that undergo reticulate evolutionary processes such as hybridization, recombination and lateral gene transfer. Recently, there has been great interest in trying to develop methods to construct rooted phylogenetic networks from triplets, that is rooted trees on three species. However, although triplets determine or encode rooted phylogenetic trees, they do not in general encode rooted phylogenetic networks, which is a potential issue for any such method. Motivated by this fact, Huber and Moulton recently introduced trinets as a natural extension of rooted triplets to networks. In particular, they showed that level-1 phylogenetic networks are encoded by their trinets, and also conjectured that all "recoverable" rooted phylogenetic networks are encoded by their trinets. Here we prove that recoverable binary level-2 networks and binary tree-child networks are also encoded by their trinets. To do this we prove two decomposition theorems based on trinets which hold for all recoverable binary rooted phylogenetic networks. Our results provide some additional evidence in support of the conjecture that trinets encode all recoverable rooted phylogenetic networks, and could also lead to new approaches to construct phylogenetic networks from trinets.

q-bio.PE↗

arXiv2012

Recognizing Treelike k-Dissimilarities

A k-dissimilarity D on a finite set X, |X| >= k, is a map from the set of size k subsets of X to the real numbers. Such maps naturally arise from edge-weighted trees T with leaf-set X: Given a subset Y of X of size k, D(Y) is defined to be the total length of the smallest subtree of T with leaf-set Y . In case k = 2, it is well-known that 2-dissimilarities arising in this way can be characterized by the so-called "4-point condition". However, in case k > 2 Pachter and Speyer recently posed the following question: Given an arbitrary k-dissimilarity, how do we test whether this map comes from a tree? In this paper, we provide an answer to this question, showing that for k >= 3 a k-dissimilarity on a set X arises from a tree if and only if its restriction to every 2k-element subset of X arises from some tree, and that 2k is the least possible subset size to ensure that this is the case. As a corollary, we show that there exists a polynomial-time algorithm to determine when a k-dissimilarity arises from a tree. We also give a 6-point condition for determining when a 3-dissimilarity arises from a tree, that is similar to the aforementioned 4-point condition.

math.MG↗

arXiv2012

The Split Decomposition of a k-Dissimilarity Map

A k-dissimilarity map on a finite set X is a function D : X \choose k \rightarrow R assigning a real value to each subset of X with cardinality k, k \geq 2. Such functions, also sometimes known as k-way dissimilarities, k-way distances, or k-semimetrics, are of interest in many areas of mathematics, computer science and classification theory, especially 2-dissimilarity maps (or distances) which are a generalisation of metrics. In this paper, we show how regular subdivisions of the kth hypersimplex can be used to obtain a canonical decomposition of a k-dissimilarity map into the sum of simpler k-dissimilarity maps arising from bipartitions or splits of X. In the special case k = 2, this is nothing other than the well-known split decomposition of a distance due to Bandelt and Dress [Adv. Math. 92 (1992), 47-105], a decomposition that is commonly to construct phylogenetic trees and networks. Furthermore, we characterise those sets of splits that may occur in the resulting decompositions of k-dissimilarity maps. As a corollary, we also give a new proof of a theorem of Pachter and Speyer [Appl. Math. Lett. 17 (2004), 615-621] for recovering k-dissimilarity maps from trees.

math.CO↗

arXiv2012

Trees, Tight-Spans and Point Configuration

Tight-spans of metrics were first introduced by Isbell in 1964 and rediscovered and studied by others, most notably by Dress, who gave them this name. Subsequently, it was found that tight-spans could be defined for more general maps, such as directed metrics and distances, and more recently for diversities. In this paper, we show that all of these tight-spans as well as some related constructions can be defined in terms of point configurations. This provides a useful way in which to study these objects in a unified and systematic way. We also show that by using point configurations we can recover results concerning one-dimensional tight-spans for all of the maps we consider, as well as extend these and other results to more general maps such as symmetric and unsymmetric maps.

math.CO↗

arXiv2012

Novel Distances for Dollo Data

We investigate distances on binary (presence/absence) data in the context of a Dollo process, where a trait can only arise once on a phylogenetic tree but may be lost many times. We introduce a novel distance, the Additive Dollo Distance (ADD), which is consistent for data generated under a Dollo model, and show that it has some useful theoretical properties including an intriguing link to the LogDet distance. Simulations of Dollo data are used to compare a number of binary distances including ADD, LogDet, Nei Li and some simple, but to our knowledge previously unstudied, variations on common binary distances. The simulations suggest that ADD outperforms other distances on Dollo data. Interestingly, we found that the LogDet distance performs poorly in the context of a Dollo process, which may have implications for its use in connection with conditioned genome reconstruction. We apply the ADD to two Diversity Arrays Technology (DArT) datasets, one that broadly covers Eucalyptus species and one that focuses on the Eucalyptus series Adnataria. We also reanalyse gene family presence/absence data on bacteria from the COG database and compare the results to previous phylogenies estimated using the conditioned genome reconstruction approach.

q-bio.QM↗

arXiv2012

On Patchworks and Hierarchies

Motivated by questions in biological classification, we discuss some elementary combinatorial and computational properties of certain set systems that generalize hierarchies, namely, 'patchworks', 'weak patchworks', 'ample patchworks' and 'saturated patchworks' and also outline how these concepts relate to an apparently new 'duality theory' for cluster systems that is based on the fundamental concept of 'compatibility' of clusters.

q-bio.PE↗

arXiv2011

The 'Butterfly effect' in Cayley graphs, and its relevance for evolutionary genomics

Suppose a finite set $X$ is repeatedly transformed by a sequence of permutations of a certain type acting on an initial element $x$ to produce a final state $y$. We investigate how 'different' the resulting state $y'$ to $y$ can be if a slight change is made to the sequence, either by deleting one permutation, or replacing it with another. Here the 'difference' between $y$ and $y'$ might be measured by the minimum number of permutations of the permitted type required to transform $y$ to $y'$, or by some other metric. We discuss this first in the general setting of sensitivity to perturbation of walks in Cayley graphs of groups with a specified set of generators. We then investigate some permutation groups and generators arising in computational genomics, and the statistical implications of the findings.

q-bio.QM↗

arXiv2009

Species, Clusters and the 'Tree of Life': A graph-theoretic perspective

A hierarchical structure describing the inter-relationships of species has long been a fundamental concept in systematic biology, from Linnean classification through to the more recent quest for a 'Tree of Life.' In this paper we use an approach based on discrete mathematics to address a basic question: Could one delineate this hierarchical structure in nature purely by reference to the 'genealogy' of present-day individuals, which describes how they are related with one another by ancestry through a continuous line of descent? We describe several mathematically precise ways by which one can naturally define collections of subsets of present day individuals so that these subsets are nested (and so form a tree) based purely on the directed graph that describes the ancestry of these individuals. We also explore the relationship between these and related clustering constructions.

q-bio.PE↗

arXiv1994

Vector Braids

In this paper we define a new family of groups which generalize the {\it classical braid groups on} $\C $. We denote this family by $\{B_n^m\}_{n \ge m+1}$ where $n,m \in \N$. The family $\{ B_n^1 \}_{n \in \N}$ is the set of classical braid groups on $n$ strings. The group $B_n^m$ is the set of motions of $n$ unordered points in $\C^m$, so that at any time during the motion, each $m+1$ of the points span the whole of $\C^m$ as an affine space. There is a map from $B_n^m$ to the symmetric group on $n$ letters. We let $P_n^m$ denote the kernel of this map. In this paper we are mainly interested in understanding $P_n^2$. We give a presentation of a group $PL_n$ which maps surjectively onto $P_n^2$. We also show the surjection $PL_n \to P_n^2$ induces an isomorphism on first and second integral homology and conjecture that it is an isomorphism. We then find an infinitesimal presentation of the group $P_n^2$. Finally, we also consider the analagous groups where points lie in $¶^m$ instead of $\C^m$. These groups generalize of the classical braid groups on the sphere.

hep-th↗