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Jonathan Klawitter

Publications and source records attributed to Jonathan Klawitter.

At least 19 recordsLinked to original sources

On estimating the effective sample size of phylogenetic trees in an autocorrelated chain

Estimating the effective sample size (ESS) is fundamental in Bayesian phylogenetic inference to properly account for autocorrelation in MCMC samples. While methods for continuous parameters are well established, the discrete and high-dimensional nature of treespace poses substantial challenges. Here, we compare existing tree ESS estimators with novel approaches that leverage tractable tree distributions, specifically Conditional Clade Distributions (CCDs), as well as a new probabilistic estimator based on clade frequency differences between independent chains. Using simulated chains with known ESS bounds, we assess estimator accuracy and evaluate their stability and robustness on simulated and real datasets. We further examine how multimodality in posterior distributions and poor mixing can substantially affect ESS estimates, highlighting the need for careful interpretation. Our CCD-based estimators perform comparably to existing approaches, with two methods showing lower variance by averaging across multiple estimates. In contrast, the probabilistic estimator and two previously recommended methods incur prohibitive computational costs for long chains. Together, these results provide guidance for reliable and efficient tree ESS estimation in complex phylogenetic analyses.

q-bio.PE

Rectangular Duals on the Cylinder and the Torus

A rectangular dual of a plane graph $G$ is a contact representation of $G$ by interior-disjoint rectangles such that (i) no four rectangles share a point, and (ii) the union of all rectangles is a rectangle. In this paper, we study rectangular duals of graphs that are embedded in surfaces other than the plane. In particular, we fully characterize when a graph embedded on a cylinder admits a cylindrical rectangular dual. For graphs embedded on the flat torus, we can test whether the graph has a toroidal rectangular dual if we are additionally given a \textit{regular edge labeling}, i.e. a combinatorial description of rectangle adjacencies. Furthermore we can test whether there exists a toroidal rectangular dual that respects the embedding and that resides on a flat torus for which the sides are axis-aligned. Testing and constructing the rectangular dual, if applicable, can be done efficiently.

cs.CG

Bayesian Credible Sets for Phylogenetic Tree Topologies with Applications to Coverage Analysis and Cross-Model Comparison

Credible intervals and credible sets, such as highest posterior density (HPD) intervals, form an integral statistical tool in Bayesian phylogenetics, both for phylogenetic analyses and for development. Readily available for continuous parameters such as base frequencies and clock rates, the vast and complex space of tree topologies poses significant challenges for defining analogous credible sets. Traditional frequency-based approaches are inadequate for diffuse posteriors where sampled trees are often unique. To address this, we introduce novel and efficient methods for estimating the credible level of individual tree topologies using tractable tree distributions, specifically Conditional Clade Distribution (CCD). Furthermore, we propose a new concept called $\alpha$ credible CCD, which encapsulates a CCD whose trees collectively make up $\alpha$ probability. We present algorithms to compute these credible CCDs efficiently and to determine credible levels of tree topologies as well as of subtrees. We evaluate the accuracy of these credible set methods leveraging simulated and real datasets. Furthermore, to demonstrate the utility of our methods, we use well-calibrated simulation studies to evaluate the performance of different CCD models. In particular, we show how the credible set methods can be used to conduct rank-uniformity validation and produce Empirical Cumulative Distribution Function (ECDF) plots, supplementing standard coverage analyses for continuous parameters.

cs.DS

Tree Drawings with Columns

Our goal is to visualize an additional data dimension of a tree with multifaceted data through superimposition on vertical strips, which we call columns. Specifically, we extend upward drawings of unordered rooted trees where vertices have assigned heights by mapping each vertex to a column. Under an orthogonal drawing style and with every subtree within a column drawn planar, we consider different natural variants concerning the arrangement of subtrees within a column. We show that minimizing the number of crossings in such a drawing can be achieved in fixed-parameter tractable (FPT) time in the maximum vertex degree $Δ$ for the most restrictive variant, while becoming NP-hard (even to approximate) already for a slightly relaxed variant. However, we provide an FPT algorithm in the number of crossings plus $Δ$, and an FPT-approximation algorithm in $Δ$ via a reduction to feedback arc set.

cs.CG

Visualizing Geophylogenies -- Internal and External Labeling with Phylogenetic Tree Constraints

A geophylogeny is a phylogenetic tree (or dendrogram) where each leaf (e.g. biological taxon) has an associated geographic location (site). To clearly visualize a geophylogeny, the tree is typically represented as a crossing-free drawing next to a map. The correspondence between the taxa and the sites is either shown with matching labels on the map (internal labeling) or with leaders that connect each site to the corresponding leaf of the tree (external labeling). In both cases, a good order of the leaves is paramount for understanding the association between sites and taxa. We define several quality measures for internal labeling and give an efficient algorithm for optimizing them. In contrast, minimizing the number of leader crossings in an external labeling is NP-hard. On the positive side, we show that crossing-free instances can be solved in polynomial time and give a fixed-parameter tractable (FPT) algorithm. Furthermore, optimal solutions can be found in a matter of seconds on realistic instances using integer linear programming. Finally, we provide several efficient heuristic algorithms and experimentally show them to be near optimal on real-world and synthetic instances.

cs.DM

Visualizing Multispecies Coalescent Trees: Drawing Gene Trees Inside Species Trees

We consider the problem of drawing multiple gene trees inside a single species tree in order to visualize multispecies coalescent trees. Specifically, the drawing of the species tree fills a rectangle in which each of its edges is represented by a smaller rectangle, and the gene trees are drawn as rectangular cladograms (that is, orthogonally and downward, with one bend per edge) inside the drawing of the species tree. As an alternative, we also consider a style where the widths of the edges of the species tree are proportional to given effective population sizes. In order to obtain readable visualizations, our aim is to minimize the number of crossings between edges of the gene trees in such drawings. We show that planar instances can be recognized in linear time and that the general problem is NP-hard. Therefore, we introduce two heuristics and give an integer linear programming (ILP) formulation that provides us with exact solutions in exponential time. We use the ILP to measure the quality of the heuristics on real-world instances. The heuristics yield surprisingly good solutions, and the ILP runs surprisingly fast.

cs.DM

Upward Planar Drawings with Three and More Slopes

The slope number of a graph $G$ is the smallest number of slopes needed for the segments representing the edges in any straight-line drawing of $G$. It serves as a measure of the visual complexity of a graph drawing. Several bounds on the slope number for particular graph classes have been established, both in the planar and the non-planar setting. Moreover, the slope number can also be defined for directed graphs and upward planar drawings. We study upward planar straight-line drawings that use only a constant number of slopes. In particular, for a fixed number $k$ of slopes, we are interested in whether a given directed graph $G$ with maximum in- and outdegree at most $k$ admits an upward planar $k$-slope drawing. We investigate this question both in the fixed and the variable embedding scenario. We show that this problem is in general NP-hard to decide for outerplanar graphs ($k = 3$) and planar graphs ($k \ge 3$). On the positive side, we can decide whether a given cactus graph admits an upward planar $k$-slope drawing and, in the affirmative, construct such a drawing in FPT time with parameter $k$. Furthermore, we can determine the minimum number of slopes required for a given tree in linear time and compute the corresponding drawing efficiently.

cs.CG

Morphing Rectangular Duals

A rectangular dual of a plane graph $G$ is a contact representations of $G$ by interior-disjoint axis-aligned rectangles such that (i) no four rectangles share a point and (ii) the union of all rectangles is a rectangle. A rectangular dual gives rise to a regular edge labeling (REL), which captures the orientations of the rectangle contacts. We study the problem of morphing between two rectangular duals of the same plane graph. If we require that, at any time throughout the morph, there is a rectangular dual, then a morph exists only if the two rectangular duals realize the same REL. Therefore, we allow intermediate contact representations of non-rectangular polygons of constant complexity. Given an $n$-vertex plane graph, we show how to compute in $O(n^3)$ time a piecewise linear morph that consists of $O(n^2)$ linear morphing steps.

cs.CG

The Segment Number: Algorithms and Universal Lower Bounds for Some Classes of Planar Graphs

The segment number of a planar graph $G$ is the smallest number of line segments needed for a planar straight-line drawing of $G$. Dujmović, Eppstein, Suderman, and Wood [CGTA'07] introduced this measure for the visual complexity of graphs. There are optimal algorithms for trees and worst-case optimal algorithms for outerplanar graphs, 2-trees, and planar 3-trees. It is known that every cubic triconnected planar $n$-vertex graph (except $K_4$) has segment number $n/2+3$, which is the only known universal lower bound for a meaningful class of planar graphs. We show that every triconnected planar 4-regular graph can be drawn using at most $n+3$ segments. This bound is tight up to an additive constant, improves a previous upper bound of $7n/4+2$ implied by a more general result of Dujmović et al., and supplements the result for cubic graphs. We also give a simple optimal algorithm for cactus graphs, generalizing the above-mentioned result for trees. We prove the first linear universal lower bounds for outerpaths, maximal outerplanar graphs, 2-trees, and planar 3-trees. This shows that the existing algorithms for these graph classes are constant-factor approximations. For maximal outerpaths, our bound is best possible and can be generalized to circular arcs.

cs.CG

Upward planar drawings with two slopes

In an upward planar 2-slope drawing of a digraph, edges are drawn as straight-line segments in the upward direction without crossings using only two different slopes. We investigate whether a given upward planar digraph admits such a drawing and, if so, how to construct it. For the fixed embedding scenario, we give a simple characterisation and a linear-time construction by adopting algorithms from orthogonal drawings. For the variable embedding scenario, we describe a linear-time algorithm for single-source digraphs, a quartic-time algorithm for series-parallel digraphs, and a fixed-parameter tractable algorithm for general digraphs. For the latter two classes, we make use of SPQR-trees and the notion of upward spirality. As an application of this drawing style, we show how to draw an upward planar phylogenetic network with two slopes such that all leaves lie on a horizontal line.

cs.DM

Outside-Obstacle Representations with All Vertices on the Outer Face

An obstacle representation of a graph $G$ consists of a set of polygonal obstacles and a drawing of $G$ as a visibility graph with respect to the obstacles: vertices are mapped to points and edges to straight-line segments such that each edge avoids all obstacles whereas each non-edge intersects at least one obstacle. Obstacle representations have been investigated quite intensely over the last few years. Here we focus on outside-obstacle representations (OORs) that use only one obstacle in the outer face of the drawing. It is known that every outerplanar graph admits such a representation. We strengthen this result by showing that every (partial) 2-tree has an OOR. We also consider restricted versions of OORs where the vertices of the graph form a convex polygon or even a regular polygon. We characterize when the complement of a tree and when a complete graph minus a simple cycle admits a convex OOR. We construct regular OORs for all (partial) outerpaths, cactus graphs, and grids.

cs.CG

Extending Partial Representations of Rectangular Duals with Given Contact Orientations

A rectangular dual of a graph $G$ is a contact representation of $G$ by axis-aligned rectangles such that (i)~no four rectangles share a point and (ii)~the union of all rectangles is a rectangle. The partial representation extension problem for rectangular duals asks whether a given partial rectangular dual can be extended to a rectangular dual, that is, whether there exists a rectangular dual where some vertices are represented by prescribed rectangles. Combinatorially, a rectangular dual can be described by a regular edge labeling (REL), which determines the orientations of the rectangle contacts. We describe two approaches to solve the partial representation extension problem for rectangular duals with given REL. On the one hand, we characterise the RELs that admit an extension, which leads to a linear-time testing algorithm. In the affirmative, we can construct an extension in linear time. This partial representation extension problem can also be formulated as a linear program (LP). We use this LP to solve the simultaneous representation problem for the case of rectangular duals when each input graph is given together with a REL.

cs.CG

Algorithms for Floor Planning with Proximity Requirements

Floor planning is an important and difficult task in architecture. When planning office buildings, rooms that belong to the same organisational unit should be placed close to each other. This leads to the following NP-hard mathematical optimization problem. Given the outline of each floor, a list of room sizes, and, for each room, the unit to which it belongs, the aim is to compute floor plans such that each room is placed on some floor and the total distance of the rooms within each unit is minimized. The problem can be formulated as an integer linear program (ILP). Commercial ILP solvers exist, but due to the difficulty of the problem, only small to medium instances can be solved to (near-) optimality. For solving larger instances, we propose to split the problem into two subproblems; floor assignment and planning single floors. We formulate both subproblems as ILPs and solve realistic problem instances. Our experimental study shows that the problem helps to reduce the computation time considerably. Where we were able to compute the global optimum, the solution cost of the combined approach increased very little.

cs.CG

Drawing Tree-Based Phylogenetic Networks with Minimum Number of Crossings

In phylogenetics, tree-based networks are used to model and visualize the evolutionary history of species where reticulate events such as horizontal gene transfer have occurred. Formally, a tree-based network $N$ consists of a phylogenetic tree $T$ (a rooted, binary, leaf-labeled tree) and so-called reticulation edges that span between edges of $T$. The network $N$ is typically visualized by drawing $T$ downward and planar and reticulation edges with one of several different styles. One aesthetic criteria is to minimize the number of crossings between tree edges and reticulation edges. This optimization problem has not yet been researched. We show that, if reticulation edges are drawn x-monotone, the problem is NP-complete, but fixed-parameter tractable in the number of reticulation edges. If, on the other hand, reticulation edges are drawn like "ears", the crossing minimization problem can be solved in quadratic time.

cs.DM

The agreement distance of unrooted phylogenetic networks

A rearrangement operation makes a small graph-theoretical change to a phylogenetic network to transform it into another one. For unrooted phylogenetic trees and networks, popular rearrangement operations are tree bisection and reconnection (TBR) and prune and regraft (PR) (called subtree prune and regraft (SPR) on trees). Each of these operations induces a metric on the sets of phylogenetic trees and networks. The TBR-distance between two unrooted phylogenetic trees $T$ and $T'$ can be characterised by a maximum agreement forest, that is, a forest with a minimum number of components that covers both $T$ and $T'$ in a certain way. This characterisation has facilitated the development of fixed-parameter tractable algorithms and approximation algorithms. Here, we introduce maximum agreement graphs as a generalisations of maximum agreement forests for phylogenetic networks. While the agreement distance -- the metric induced by maximum agreement graphs -- does not characterise the TBR-distance of two networks, we show that it still provides constant-factor bounds on the TBR-distance. We find similar results for PR in terms of maximum endpoint agreement graphs.

math.CO

Rearrangement operations on unrooted phylogenetic networks

Rearrangement operations transform a phylogenetic tree into another one and hence induce a metric on the space of phylogenetic trees. Popular operations for unrooted phylogenetic trees are NNI (nearest neighbour interchange), SPR (subtree prune and regraft), and TBR (tree bisection and reconnection). Recently, these operations have been extended to unrooted phylogenetic networks, which are generalisations of phylogenetic trees that can model reticulated evolutionary relationships. Here, we study global and local properties of spaces of phylogenetic networks under these three operations. In particular, we prove connectedness and asymptotic bounds on the diameters of spaces of different classes of phylogenetic networks, including tree-based and level-k networks. We also examine the behaviour of shortest TBR-sequence between two phylogenetic networks in a class, and whether the TBR-distance changes if intermediate networks from other classes are allowed: for example, the space of phylogenetic trees is an isometric subgraph of the space of phylogenetic networks under TBR. Lastly, we show that computing the TBR-distance and the PR-distance of two phylogenetic networks is NP-hard.

math.CO

The agreement distance of rooted phylogenetic networks

The minimal number of rooted subtree prune and regraft (rSPR) operations needed to transform one phylogenetic tree into another one induces a metric on phylogenetic trees - the rSPR-distance. The rSPR-distance between two phylogenetic trees $T$ and $T'$ can be characterised by a maximum agreement forest; a forest with a minimum number of components that covers both $T$ and $T'$. The rSPR operation has recently been generalised to phylogenetic networks with, among others, the subnetwork prune and regraft (SNPR) operation. Here, we introduce maximum agreement graphs as an explicit representations of differences of two phylogenetic networks, thus generalising maximum agreement forests. We show that maximum agreement graphs induce a metric on phylogenetic networks - the agreement distance. While this metric does not characterise the distances induced by SNPR and other generalisations of rSPR, we prove that it still bounds these distances with constant factors.

math.CO

On the Subnet Prune and Regraft Distance

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.

math.CO