arXiv subjects

Vincent Moulton

Publications and source records attributed to Vincent Moulton.

At least 19 recordsLinked to original sources

arXiv2026

Regularizing and Normalizing DAGs and Phylogenetic Networks

Phylogenetic networks and, more generally, directed acyclic graphs (DAGs) represent hierarchical structure beyond trees, for instance in the presence of reticulate evolutionary events such as hybridization or horizontal gene transfer. A central question is which parts of such graphs are essential with respect to leaf-observable information, and which parts can be removed without changing this information. Resolving this question can lead to principled simplification methods for phylogenetic networks, such as the recent normalization approach of Francis et al. In this paper, we study this question from three related perspectives: clusters displayed by a DAG $G$, least common ancestors (LCAs) of subsets of its leaf set, and visibility, a path-based property of vertices. We first introduce an LCA-based simplification procedure called $i$-regularization. For a DAG $G$ and $i\geq 1$, the DAG $\reg_i(G)$ retains precisely those vertices that occur as unique LCAs of leaf subsets of size at most $i$, removes the remaining non-leaf vertices by a graph-editing operation $\ominus$, and then deletes shortcuts. We show that $\reg_i(G)$ admits a Hasse-diagram characterization in terms of the corresponding lca-clusters. We then compare LCA-based regularization with normalization. Using the same $\ominus$-operator, we describe the cover construction underlying normalization, identify visible vertices that are nevertheless removed, and characterize when regularization and normalization coincide. Together, these results provide a unified framework for cluster-based, LCA-based, and visibility-based simplifications of DAGs and phylogenetic networks.

q-bio.PE↗

arXiv2026

Arboreal Networks and Ultrametrics

Ultametrics are an important class of distances used in applications such as phylogenetics, clustering and classification theory. Ultrametrics are essentially distances that can be represented by an edge-weighted rooted tree so that all of the distances in the tree from the root to any leaf of the tree are equal. In this paper, we introduce a generalization of ultrametrics called arboreal ultrametrics which have applications in phylogenetics and also arise in the theory of distance-hereditary graphs. These are partial distances, that is distances that are not necessarily defined for every pair of elements in the groundset, that can be represented by an ultrametric arboreal network, that is, an edge-weighted rooted network whose underlying graph is a tree. As with ultrametrics all of the distances in the ultrametric arboreal network from any root to any leaf below it are are equal but, in contrast, the network may have more than one root. In our two main results we characterize when a partial distance is an arboreal ultrametric as well as proving that, somewhat surprisingly, given any unrooted edge-weighted phylogenetic tree there is a necessarily unique way to insert roots into this tree so as to obtain an arboreal ultrametric.

math.CO↗

arXiv2026

Encoding Phylogenetic Networks with Least Common Ancestor Constraints

Encoding phylogenetic networks by suitable substructures is a central problem in phylogenetic combinatorics. We study encodings based on least common ancestor (LCA) constraints. For a directed acyclic graph (DAG) $G$ with leaf set $X$, we consider the relation on pairs of leaves in which $(ab,xy)$ records that the LCAs of $a,b$ and $x,y$ are well-defined and that the former is a descendant of the latter. We first identify precisely which part of $G$ is determined by this relation. To this end, we compare the canonical DAG constructed from the LCA relation with the 2-regularization of $G$, obtained by removing all vertices that are not LCAs of one or two leaves and then deleting shortcut edges. We prove that these two DAGs are isomorphic. Hence the obstruction to encoding a graph by its LCA relation is exactly the information lost under 2-regularization. This yields a general reconstruction principle, which we apply to several natural classes of phylogenetic networks. In particular, we show that shortcut-free 2-LCA-relevant DAGs, phylogenetic trees, regular level-1 networks, regular networks with binary clustering systems, regular networks whose clustering systems are closed weak hierarchies, strong-phylogenetic normal networks, separated phylogenetic normal networks, and binary normal networks are encoded by their LCA relations. We also introduce a sparse triple-like restriction consisting only of comparisons of the form $(ab,ac)$, where $a,b,c\in X$ are pairwise distinct. For graphs with the 2-LCA property, we show that this sparse relation, together with the leaf set, determines the full LCA relation after a natural closure operation. Consequently, several of the above classes can be reconstructed, up to isomorphism, from the sparse relation in polynomial time.

cs.DM↗

arXiv2026

EL-Shellability of the poset of ranked cactuses

Recently the poset of ranked cactuses $(\mathfrak{P}(X),\preceq)$ was introduced. For a finite set $X$, this poset consists of a set $\mathfrak{P}(X)$ of certain collections of ordered pairs of subsets of $X$ together with an ordering $\preceq$ that is similar to the refinement ordering of partitions of a finite set. In addition, the maximal chains in this poset correspond to binary ranked cactuses, a fact which can be used to construct the so-called space of equidistant cactuses. In this paper, we show that the poset of ranked cactuses is EL-shellable. As a consequence we also show that the proper part of the link of the origin of the space of equidistant cactuses has the homotopy type of a wedge of spheres.

math.CO↗

arXiv2026

Inferring DAGs and Phylogenetic Networks from Least Common Ancestors

A least common ancestor (LCA) of two leaves in a directed acyclic graph (DAG) is a vertex that is an ancestor of both leaves and has no proper descendant that is also their common ancestor. LCAs capture hierarchical relationships in rooted trees and, more generally, in DAGs. In 1981, Aho et al. introduced the problem of determining whether a set of pairwise LCA constraints on a set $X$, of the form $(i,j)<(k,l)$ with $i,j,k,l\in X$, can be realized by a rooted tree whose leaf set is $X$, such that whenever $(i,j)<(k,l)$, the LCA of $i,j$ is a descendant of that of $k,l$. They also presented a polynomial-time algorithm, BUILD, to solve this problem. However, many such constraint systems cannot be realized by any tree, prompting the question of whether they can be realized by a more general DAG. We extend Aho et al.'s framework from trees to DAGs, providing both theoretical and algorithmic foundations for reasoning about LCA constraints in this broader setting. Given a collection $R$ of LCA constraints, we define its $+$-closure $R^+$, capturing additional LCA relations implied by $R$. Using $R^+$, we construct a canonical DAG $G_R$ and prove that $R$ is DAG-realizable if and only if it is realized by $G_R$. We further adapt this construction to phylogenetic networks, defining a canonical network $N_R$ and prove that it is regular, i.e., it coincides with the Hasse diagram of its underlying set system. Finally, we show that for any DAG-realizable $R$, its classical closure - comprising all LCA constraints that hold in every DAG realizing $R$ - coincides with its $+$-closure. All constructions are computable in polynomial time, and we provide explicit algorithms for each. All algorithms developed in this paper are implemented in the freely available Python package RealLCA.

math.CO↗

arXiv2025

Characterizing semi-directed phylogenetic networks and their multi-rootable variants

In evolutionary biology, phylogenetic networks are graphs that provide a flexible framework for representing complex evolutionary histories that involve reticulate evolutionary events. Recently phylogenetic studies have started to focus on a special class of such networks called semi-directed networks. These graphs are defined as mixed graphs that can be obtained by de-orienting some of the arcs in some rooted phylogenetic network, that is, a directed acyclic graph whose leaves correspond to a collection of species and that has a single source or root vertex. However, this definition of semi-directed networks is implicit in nature since it is not clear when a mixed-graph enjoys this property or not. In this paper, we introduce novel, explicit mathematical characterizations of semi-directed networks, and also multi-semi-directed networks, that is, mixed graphs that can be obtained from directed phylogenetic networks that may have more than one root. In addition, through extending foundational tools from the theory of rooted networks into the semi-directed setting - such as cherry picking sequences, omnians, and path partitions - we characterize when a (multi-)semi-directed network can be obtained by de-orienting some rooted network that is contained in one of the well-known classes of tree-child, orchard, tree-based or forest-based networks. These results address structural aspects of (multi-)semi-directed networks and pave the way to improved theoretical and computational analyses of such networks, for example, within the development of algebraic evolutionary models that are based on such networks.

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arXiv2025

Labeling and folding multi-labeled trees

In 1989 Erdős and Székely showed that there is a bijection between (i) the set of rooted trees with $n+1$ vertices whose leaves are bijectively labeled with the elements of $[\ell]=\{1,2,\dots,\ell\}$ for some $\ell \leq n$, and (ii) the set of partitions of $[n]=\{1,2,\dots,n\}$. They established this via a labeling algorithm based on the anti-lexicographic ordering of non-empty subsets of $[n]$ which extends the labeling of the leaves of a given tree to a labeling of all of the vertices of that tree. In this paper, we generalize their approach by developing a labeling algorithm for multi-labeled trees, that is, rooted trees whose leaves are labeled by positive integers but in which distinct leaves may have the same label. In particular, we show that certain orderings of the set of all finite, non-empty multisets of positive integers can be used to characterize partitions of a multiset that arise from labelings of multi-labeled trees. As an application, we show that the recently introduced class of labelable phylogenetic networks is precisely the class of phylogenetic networks that are stable relative to the so-called folding process on multi-labeled trees. We also give a bijection between the labelable phylogenetic networks with leaf-set $[n]$ and certain partitions of multisets.

cs.DM↗

arXiv2025

Distinguishing Phylogenetic Level-2 Networks with Quartets and Inter-Taxon Quartet Distances

The inference of phylogenetic networks, which model complex evolutionary processes including hybridization and gene flow, remains a central challenge in evolutionary biology. Until now, statistically consistent inference methods have been limited to phylogenetic level-1 networks, which allow no interdependence between reticulate events. In this work, we establish the theoretical foundations for a statistically consistent inference method for a much broader class: semi-directed level-2 networks that are outer-labeled planar and galled. We precisely characterize the features of these networks that are distinguishable from the topologies of their displayed quartet trees. Moreover, we prove that an inter-taxon distance derived from these quartets is circular decomposable, enabling future robust inference of these networks from quartet data, such as concordance factors obtained from gene tree distributions under the Network Multispecies Coalescent model. Our results also have novel identifiability implications across different data types and evolutionary models, applying to any setting in which displayed quartets can be distinguished.

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arXiv2025

Subtree Distances, Tight Spans and Diversities

Metric embeddings are central to metric theory and its applications. Here we consider embeddings of a different sort: maps from a set to subsets of a metric space so that distances between points are approximated by minimal distances between subsets. Our main result is a characterization of when a set of distances $d(x,y)$ between elements in a set $X$ have a subtree representation, a real tree $T$ and a collection $\{S_x\}_{x \in X}$ of subtrees of~$T$ such that $d(x,y)$ equals the length of the shortest path in~$T$ from a point in $S_x$ to a point in $S_y$ for all $x,y \in X$. The characterization was first established for {\em finite} $X$ by Hirai (2006) using a tight span construction defined for distance spaces, metric spaces without the triangle inequality. To extend Hirai's result beyond finite $X$ we establish fundamental results of tight span theory for general distance spaces, including the surprising observation that the tight span of a distance space is hyperconvex. We apply the results to obtain the first characterization of when a diversity -- a generalization of a metric space which assigns values to all finite subsets of $X$, not just to pairs -- has a tight span which is tree-like.

math.MG↗

arXiv2025

When are quarnets sufficient to reconstruct semi-directed phylogenetic networks?

Phylogenetic networks are graphs that are used to represent evolutionary relationships between different taxa. They generalize phylogenetic trees since for example, unlike trees, they permit lineages to combine. Recently, there has been rising interest in semi-directed phylogenetic networks, which are mixed graphs in which certain lineage combination events are represented by directed edges coming together, whereas the remaining edges are left undirected. One reason to consider such networks is that it can be difficult to root a network using real data. In this paper, we consider the problem of when a semi-directed phylogenetic network is defined or encoded by the smaller networks that it induces on the 4-leaf subsets of its leaf set. These smaller networks are called quarnets. We prove that semi-directed binary level-2 phylogenetic networks are encoded by their quarnets, but that this is not the case for level-3. In addition, we prove that the so-called blob tree of a semi-directed binary network, a tree that give the coarse-grained structure of the network, is always encoded by the quarnets of the network. These results are relevant for proving the statistical consistency of programs that are currently being developed for reconstructing phylogenetic networks from practical data, such as the recently developed Squirrel software tool.

q-bio.PE↗

arXiv2025

Cherry picking in forests: A new characterization for the unrooted hybrid number of two phylogenetic trees

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.

math.CO↗

arXiv2025

Coconvex characters on collections of phylogenetic trees

In phylogenetics, a key problem is to construct evolutionary trees from collections of characters where, for a set X of species, a character is simply a function from X onto a set of states. In this context, a key concept is convexity, where a character is convex on a tree with leaf set X if the collection of subtrees spanned by the leaves of the tree that have the same state are pairwise disjoint. Although collections of convex characters on a single tree have been extensively studied over the past few decades, very little is known about coconvex characters, that is, characters that are simultaneously convex on a collection of trees. As a starting point to better understand coconvexity, in this paper we prove a number of extremal results for the following question: What is the minimal number of coconvex characters on a collection of n-leaved trees taken over all collections of size t >= 2, also if we restrict to coconvex characters which map to k states? As an application of coconvexity, we introduce a new one-parameter family of tree metrics, which range between the coarse Robinson-Foulds distance and the much finer quartet distance. We show that bounds on the quantities in the above question translate into bounds for the diameter of the tree space for the new distances. Our results open up several new interesting directions and questions which have potential applications to, for example, tree spaces and phylogenomics.

math.CO↗

arXiv2024

Path Partitions of Phylogenetic Networks

In phylogenetics, evolution is traditionally represented in a tree-like manner. However, phylogenetic networks can be more appropriate for representing evolutionary events such as hybridization, horizontal gene transfer, and others. In particular, the class of forest-based networks was recently introduced to represent introgression, in which genes are swapped between between species. A network is forest-based if it can be obtained by adding arcs to a collection of trees, so that the endpoints of the new arcs are in different trees. This contrasts with so-called tree-based networks, which are formed by adding arcs within a single tree. We are interested in the computational complexity of recognizing forest-based networks, which was recently left as an open problem by Huber et al. Forest-based networks coincide with directed acyclic graphs that can be partitioned into induced paths, each ending at a leaf of the original graph. Several types of path partitions have been studied in the graph theory literature, but to our knowledge this type of leaf induced path partition has not been considered before. The study of forest-based networks in terms of these partitions allows us to establish closer relationships between phylogenetics and algorithmic graph theory, and to provide answers to problems in both fields. We show that deciding whether a network is forest-based is NP-complete, even on input networks that are tree-based, binary, and have only three leaves. This shows that partitioning a directed acyclic graph into three induced paths is NP-complete, answering a recent question of Fernau et al. We then show that the problem is polynomial-time solvable on binary networks with two leaves and on the class of orchards. Finally, for undirected graphs, we introduce unrooted forest-based networks and provide hardness results for this class as well.

cs.DS↗

arXiv2024

Spaces of ranked tree-child networks

Ranked tree-child networks are a recently introduced class of rooted phylogenetic networks in which the evolutionary events represented by the network are ordered so as to respect the flow of time. This class includes the well-studied ranked phylogenetic trees (also known as ranked genealogies). An important problem in phylogenetic analysis is to define distances between phylogenetic trees and networks in order to systematically compare them. Various distances have been defined on ranked binary phylogenetic trees, but very little is known about comparing ranked tree-child networks. In this paper, we introduce an approach to compare binary ranked tree-child networks on the same leaf set that is based on a new encoding of such networks that is given in terms of a certain partially ordered set. This allows us to define two new spaces of ranked binary tree-child networks. The first space can be considered as a generalization of the recently introduced space of ranked binary phylogenetic trees whose distance is defined in terms of ranked nearest neighbor interchange moves. The second space is a continuous space that captures all equidistant tree-child networks and generalizes the space of ultrametric trees. In particular, we show that this continuous space is a so-called CAT(0)-orthant space which, for example, implies that the distance between two equidistant tree-child networks can be efficiently computed.

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arXiv2024

Phylogenetic diversity indices from an affine and projective viewpoint

Phylogenetic diversity indices are commonly used to rank the elements in a collection of species or populations for conservation purposes. The derivation of these indices is typically based on some quantitative description of the evolutionary history of the species in question, which is often given in terms of a phylogenetic tree. Both rooted and unrooted phylogenetic trees can be employed, and there are close connections between the indices that are derived in these two different ways. In this paper, we introduce more general phylogenetic diversity indices that can be derived from collections of subsets (clusters) and collections of bipartitions (splits) of the given set of species. Such indices could be useful, for example, in case there is some uncertainty in the topology of the tree being used to derive a phylogenetic diversity index. As well as characterizing some of the indices that we introduce in terms of their special properties, we provide a link between cluster-based and split-based phylogenetic diversity indices that uses a discrete analogue of the classical link between affine and projective geometry. This provides a unified framework for many of the various phylogenetic diversity indices used in the literature based on rooted and unrooted phylogenetic trees, generalizations and new proofs for previous results concerning tree-based indices, and a way to define some new phylogenetic diversity indices that naturally arise as affine or projective variants of each other.

q-bio.PE↗

arXiv2023

Phylogenetic trees defined by at most three characters

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.

q-bio.PE↗

arXiv2023

Orienting undirected phylogenetic networks

This paper studies the relationship between undirected (unrooted) and directed (rooted) phylogenetic networks. We describe a polynomial-time algorithm for deciding whether an undirected nonbinary phylogenetic network, given the locations of the root and reticulation vertices, can be oriented as a directed nonbinary phylogenetic network. Moreover, we characterize when this is possible and show that, in such instances, the resulting directed nonbinary phylogenetic network is unique. In addition, without being given the location of the root and the reticulation vertices, we describe an algorithm for deciding whether an undirected binary phylogenetic network $N$ can be oriented as a directed binary phylogenetic network of a certain class. The algorithm is fixed-parameter tractable (FPT) when the parameter is the level of $N$ and is applicable to classes of directed phylogenetic networks that satisfy certain conditions. As an example, we show that the well-studied class of binary tree-child networks satisfies these conditions.

cs.DS↗

arXiv2023

Is this network proper forest-based?

In evolutionary biology, networks are becoming increasingly used to represent evolutionary histories for species that have undergone non-treelike or reticulate evolution. Such networks are essentially directed acyclic graphs with a leaf set that corresponds to a collection of species, and in which non-leaf vertices with indegree 1 correspond to speciation events and vertices with indegree greater than 1 correspond to reticulate events such as gene transfer. Recently forest-based networks have been introduced, which are essentially (multi-rooted) networks that can be formed by adding some arcs to a collection of phylogenetic trees (or phylogenetic forest), where each arc is added in such a way that its ends always lie in two different trees in the forest. In this paper, we consider the complexity of deciding whether or not a given network is proper forest-based, that is, whether it can be formed by adding arcs to some underlying phylogenetic forest which contains the same number of trees as there are roots in the network. More specifically, we show that it can be decided in polynomial time whether or not a binary, tree-child network with $m \ge 2$ roots is proper forest-based in case $m=2$, but that this problem is NP-complete for $m\ge 3$. We also give a fixed parameter tractable (FPT) algorithm for deciding whether or not a network in which every vertex has indegree at most 2 is proper forest-based. A key element in proving our results is a new characterization for when a network with $m$ roots is proper forest-based which is given in terms of the existence of certain $m$-colorings of the vertices of the network.

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