In order to develop statistical methods for shapes with a tree-structure, we construct a shape space framework for tree-like shapes and study metrics on the shape space. This shape space has singularities, corresponding to topological transitions in the represented trees. We study two closely related metrics on the shape space, TED and QED. QED is a quotient Euclidean distance arising naturally from the shape space formulation, while TED is the classical tree edit distance. Using Gromov's metric geometry we gain new insight into the geometries defined by TED and QED. We show that the new metric QED has nice geometric properties which facilitate statistical analysis, such as existence and local uniqueness of geodesics and averages. TED, on the other hand, does not share the geometric advantages of QED, but has nice algorithmic properties. We provide a theoretical framework and experimental results on synthetic data trees as well as airway trees from pulmonary CT scans. This way, we effectively illustrate that our framework has both the theoretical and qualitative properties necessary to build a theory of statistical tree-shape analysis.
Trees also appear in genetics. @cite_28 visualize large sets of phylogenetic trees using multidimensional scaling. @cite_30 have invented a phylogenetic tree-space suitable for geodesic analysis of phylogenetic trees, and Owen and Provan @cite_9 have developed fast algorithms for computing geodesics in phylogenetic tree-space. Nye @cite_23 has developed a notion of PCA in phylogenetic tree-space, but is forced to make strict assumptions on possible principle components being ''simple lines'' for the sake of computability. Phylogenetic trees are not geometric, and have fixed, labeled leaf sets, making the space of phylogenetic trees much simpler than the space of tree-like shapes.
@cite_28 @cite_9 @cite_30 @cite_23
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We explored the use of multidimensional scaling (MDS) of tree-to-tree pairwise distances to visualize the re- lationships among sets of phylogenetic trees. We found the technique to be useful for exploring "tree islands" (sets of topologically related trees among larger sets of near-optimal trees), for comparing sets of trees obtained from bootstrapping and Bayesian sampling, for comparing trees obtained from the analysis of several different genes, and for comparing mul- tiple Bayesian analyses. The technique was also useful as a teaching aid for illustrating the progress of a Bayesian analysis and as an exploratory tool for examining large sets of phylogenetic trees. We also identified some limitations to the method, including distortions of the multidimensional tree space into two dimensions through the MDS technique, and the defini- tion of the MDS-defined space based on a limited sample of trees. Nonetheless, the technique is a useful approach for the analysis of large sets of phylogenetic trees. (Bayesian analysis; multidimensional scaling; phylogenetic analysis; tree space; visualization.) Systematists are often faced with the need to analyze a large collection of phylogenetic trees. These trees may represent a collection of equally parsimonious solutions to a phylogenetic problem, or a set of trees of similar likelihood, or a sampled set of trees from a Markov chain Monte Carlo (MCMC) Bayesian analysis. In any of these cases, a common approach for expressing the results is to make a consensus tree from the large col- lection of potential solutions (see Swofford, 1991, for a discussion of consensus methods). Consensus trees are produced to distill a large amount of information into a single summary tree, because it is often impractical to examine or display all of the individual solutions. In the case of MCMC Bayesian analysis, a consensus tree is usually used to summarize information about the pos- terior probabilities of the individual inferred branches. Although these uses of consensus trees may be ap- propriate for many purposes, a great deal of informa- tion about the individual solutions is usually lost. It is possible that two or more distinct but different bi- ological explanations are represented among different "islands" of solutions (e.g., see Maddison, 1991), but that a consensus of these solutions produces little or no resolution. Although many other solutions among the universe of possible trees may be excluded by the avail- able data, this information can be lost in a consensus tree. Phylogenetic analysis of DNA or other data commonly gives rise to a collection or sample of inferred evolutionary trees. Principal Components Analysis (PCA) cannot be applied directly to collections of trees since the space of evolutionary trees on a fixed set of taxa is not a vector space. This paper describes a novel geometrical approach to PCA in tree-space that constructs the first principal path in an analogous way to standard linear Euclidean PCA. Given a data set of phylogenetic trees, a geodesic principal path is sought that maximizes the variance of the data under a form of projection onto the path. Due to the high dimensionality of tree-space and the nonlinear nature of this problem, the computational complexity is potentially very high, so approximate optimization algorithms are used to search for the optimal path. Principal paths identified in this way reveal and quantify the main sources of variation in the original collection of trees in terms of both topology and branch lengths. The approach is illustrated by application to simulated sets of trees and to a set of gene trees from metazoan (animal) species. Comparing and computing distances between phylogenetic trees are important biological problems, especially for models where edge lengths play an important role. The geodesic distance measure between two phylogenetic trees with edge lengths is the length of the shortest path between them in the continuous tree space introduced by Billera, Holmes, and Vogtmann. This tree space provides a powerful tool for studying and comparing phylogenetic trees, both in exhibiting a natural distance measure and in providing a euclidean-like structure for solving optimization problems on trees. An important open problem is to find a polynomial time algorithm for finding geodesics in tree space. This paper gives such an algorithm, which starts with a simple initial path and moves through a series of successively shorter paths until the geodesic is attained. Inferential summaries of tree estimates are useful in the setting of evolutionary biology, where phylogenetic trees have been built from DNA data since the 1960s. In bioinformatics, psychometrics, and data mining, hierarchical clustering techniques output the same mathematical objects, and practitioners have similar questions about the stability and “generalizability” of these summaries. This article describes the implementation of the geometric distance between trees developed by Billera, Holmes, and Vogtmann (2001) equally applicable to phylogenetic trees and hierarchical clustering trees, and shows some of the applications in evaluating tree estimates. In particular, since (2001) have shown that the space of trees is negatively curved (called a CAT(0) space), a collection of trees can naturally be represented as a tree. We compare this representation to the Euclidean approximations of treespace made available through both a classical multidimensional scaling and a Kernel multidimensional... We consider a continuous space which models the set of all phylogenetic trees having a fixed set of leaves. This space has a natural metric of nonpositive curvature, giving a way of measuring distance between phylogenetic trees and providing some procedures for averaging or combining several trees whose leaves are identical. This geometry also shows which trees appear within a fixed distance of a given tree and enables construction of convex hulls of a set of trees. This geometric model of tree space provides a setting in which questions that have been posed by biologists and statisticians over the last decade can be approached in a systematic fashion. For example, it provides a justification for disregarding portions of a collection of trees that agree, thus simplifying the space in which comparisons are to be made. There are many metrics available to compare phylogenetic trees since this is a fundamental task in computational biology. In this paper, we focus on one such metric, the l∞-cophenetic metric introduced by This metric works by representing a phylogenetic tree with n labeled leaves as a point in ( R ^ n(n+1) 2 ) known as the cophenetic vector, then comparing the two resulting Euclidean points using the l∞ distance. Meanwhile, the interleaving distance is a formal categorical construction generalized from the definition of , originally introduced to compare persistence modules arising from the field of topological data analysis. We show that the l∞-cophenetic metric is an example of an interleaving distance. To do this, we define phylogenetic trees as a category of merge trees with some additional structure, namely, labelings on the leaves plus a requirement that morphisms respect these labels. Then we can use the definition of a flow on this category to give an interleaving distance. Finally, we show that, because of the additional structure given by the categories defined, the map sending a labeled merge tree to the cophenetic vector is, in fact, an isometric embedding, thus proving that the l∞-cophenetic metric is an interleaving distance. A tumor arises from an evolutionary process that can be modeled as a phylogenetic tree. However, reconstructing this tree is challenging as most cancer sequencing uses bulk tumor tissue containing heterogeneous mixtures of cells.We introduce P robabilistic A lgorithm for S omatic Tr ee I nference (PASTRI), a new algorithm for bulk-tumor sequencing data that clusters somatic mutations into clones and infers a phylogenetic tree that describes the evolutionary history of the tumor. PASTRI uses an importance sampling algorithm that combines a probabilistic model of DNA sequencing data with a enumeration algorithm based on the combinatorial constraints defined by the underlying phylogenetic tree. As a result, tree inference is fast, accurate and robust to noise. We demonstrate on simulated data that PASTRI outperforms other cancer phylogeny algorithms in terms of runtime and accuracy. On real data from a chronic lymphocytic leukemia (CLL) patient, we show that a simple linear phylogeny better explains the data the complex branching phylogeny that was previously reported. PASTRI provides a robust approach for phylogenetic tree inference from mixed samples.Software is available at compbio.cs.brown.edu software.braphael@princeton.edu.Supplementary data are available at Bioinformatics online. We describe a novel method for efficient reconstruction of phylogenetic trees, based on sequences of whole genomes or proteomes. The core of our method is a new measure of pairwise distances between sequences, whose lengths may greatly vary. This measure is based on information theoretic tools (Kullback-Leibler relative entropy). We present an algorithm for efficiently computing these distances. The algorithm uses suffix arrays to compute the distance of two l long sequences in O(l) time. It is fast enough to enable the construction of the phylogenomic tree for hundreds of species, and the phylogenomic forest for almost two thousand viruses. An initial analysis of the results exhibits a remarkable agreement with “acceptable phylogenetic truth”. To assess our approach, it was implemented together with a number of alternative approaches, including two that were previously published in the literature. Comparing their outcome to ours, using a “traditional” tree and a standard tree comparison method, our algorithm improved upon the “competition” by a substantial margin. Several popular methods for phylogenetic inference (or hierarchical clustering) are based on a matrix of pairwise distances between taxa (or any kind of objects): The objective is to construct a tree with branch lengths so that the distances between the leaves in that tree are as close as possible to the input distances. If we hold the structure (topology) of the tree fixed, in some relevant cases (e.g., ordinary least squares) the optimal values for the branch lengths can be expressed using simple combinatorial formulae. Here we define a general form for these formulae and show that they all have two desirable properties: First, the common tree reconstruction approaches (least squares, minimum evolution), when used in combination with these formulae, are guaranteed to infer the correct tree when given enough data (consistency); second, the branch lengths of all the simple (nearest neighbor interchange) rearrangements of a tree can be calculated, optimally, in quadratic time in the size of the tree, thus allowing the efficient application of hill climbing heuristics. The study presented here is a continuation of that by Mihaescu and Pachter on branch length estimation [Mihaescu R, Pachter L (2008) Proc Natl Acad Sci USA 105:13206–13211]. The focus here is on the inference of the tree itself and on providing a basis for novel algorithms to reconstruct trees from distances. Abstract A metric on general phylogenetic trees is presented. This extends the work of most previous authors, who constructed metrics for binary trees. The metric presented in this paper makes possible the comparison of the many nonbinary phylogenetic trees appearing in the literature. This provides an objective procedure for comparing the different methods for constructing phylogenetic trees. The metric is based on elementary operations which transform one tree into another. Various results obtained in applying these operations are given. They enable the distance between any pair of trees to be calculated efficiently. This generalizes previous work by Bourque to the case where interior vertices can be labeled, and labels may contain more than one element or may be empty. We study distorted metrics on binary trees in the context of phylogenetic reconstruction. Given a binary tree T on n leaves with a path metric d, consider the pairwise distances d(u,v) between leaves. It is well known that these determine the tree and the d length of all edges. Here, we consider distortions @math of d such that, for all leaves u and v, it holds that @math if either d(u,v)< M + f 2 or @math , where d satisfies f ≤ d(e) ≤ g for all edges e. Given such distortions, we show how to reconstruct in polynomial time a forest T1, ... ,Tα such that the true tree T may be obtained from that forest by adding α-1 edges and α-1 ≤ 2-Ω(M g) n. Our distorted metric result implies a reconstruction algorithm of phylogenetic forests with a small number of trees from sequences of length logarithmic in the number of species. The reconstruction algorithm is applicable for the general Markov model. Both the distorted metric result and its applications to phylogeny are almost tight. Distance-based phylogenetic methods attempt to reconstruct an accurate phylogenetic tree from an estimated matrix of pairwise distances between taxa. This paper examines two distance-based algorithms (GreedyBME and FastME) that are based on the principle of minimizing the balanced minimum evolution score of the output tree in relation to the given estimated distance matrix. This is also the principle that underlies the neighbor-joining (NJ) algorithm. We show that GreedyBME and FastME both reconstruct the entire correct tree if the input data are quartet consistent, and also that if the maximum error of any distance estimate is @math , then both algorithms output trees containing all sufficiently long edges of the true tree: those having length at least @math . That is to say, the algorithms have edge safety radius 1 3. In contrast, quartet consistency of the data is not sufficient to guarantee the NJ algorithm reconstructs the correct tree, and moreover, the NJ algorithm has edge safety radius of 1 4: Only edges of the true tree of length at least @math can be guaranteed to appear in the output. These results give further theoretical support to the experimental evidence suggesting FastME is a more suitable distance-based phylogeny reconstruction method than the NJ algorithm. One of the major tasks of evolutionary biology is the reconstruction of phylogenetic trees from molecular data. The evolutionary model is given by a Markov chain on the true evolutionary tree. Given samples from this Markov chain at the leaves of the tree, the goal is to reconstruct the evolutionary tree.It is well known that in order to reconstruct a tree on n leaves, sequences of length Ω(log n) are needed. It was conjectured by M. Steel that for the CFN evolutionary model, if the mutation probability on all edges of the tree is less than p* = (√2-1) 23 2, then the tree can be recovered from sequences of length O(log n). This was proven by the second author in the special case where the tree is "balanced". The second author also proved that if all edges have mutation probability larger than p* then the length needed is nΩ(1). This "phase-transition" in the number of samples needed is closely related to the phase transition for the reconstruction problem (or extremality of free measure) studied extensively in statistical physics, probability and computer science.Here we complete the proof of Steel's conjecture and give a reconstruction algorithm using optimal (up to a multiplicative constant) sequence length. Our results further extend to obtain an optimal reconstruction algorithm for the Jukes-Cantor model with short edges. All reconstruction algorithms run in polynomial time. A major task of evolutionary biology is the reconstruction of phylogenetic trees from molecular data. The evolutionary model is given by a Markov chain on a tree. Given samples from the leaves of the Markov chain, the goal is to reconstruct the leaf-labelled tree. It is well known that in order to reconstruct a tree onn leaves, sample sequences of length (log n) are needed. It was conjectured by M. Steel that for the CFN Ising evolutionary model, if the mutation probability on all edges of the tree is less thanp = ( p 2 1)=2 3=2 , then the tree can be recovered from sequences of length O(logn). The value p is given by the transition point for the extremality of the free Gibbs measure for the Ising model on the binary tree. Steel’s conjecture was proven by the second author in the special case where the tree is “balanced.” The second author also proved that if all edges have mutation probability larger thanp then the length needed isn (1) . Here we show that Steel’s conjecture holds true for general trees by giving a reconstruction algorithm that recovers the tree from O(logn)-length sequences when the mutation probabilities are discretized and less than p . Our proof and results demonstrate that extremality of the free Gibbs measure on the infinite binary tree, which has been studied before in probability, statistical physics and computer science, determines how distinguishable are Gibbs measures on finite binary trees. UPGMA is a heuristic method identifying the least squares equidistant phylogenetic tree given empirical distance data among @math taxa. We study this classic algorithm using the geometry of the space of all equidistant trees with @math leaves, also known as the Bergman complex of the graphical matroid for the complete graph @math . We show that UPGMA performs an orthogonal projection of the data onto a maximal cell of the Bergman complex. We also show that the equidistant tree with the least (Euclidean) distance from the data is obtained from such an orthogonal projection, but not necessarily given by UPGMA. Using this geometric information we give an extension of the UPGMA algorithm. We also present a branch and bound method for finding the best equidistant tree. Finally, we prove that there are distance data among @math taxa which project to at least @math equidistant trees. Background Phylogenetic tree comparison metrics are an important tool in the study of evolution, and hence the definition of such metrics is an interesting problem in phylogenetics. In a paper in Taxon fifty years ago, Sokal and Rohlf proposed to measure quantitatively the difference between a pair of phylogenetic trees by first encoding them by means of their half-matrices of cophenetic values, and then comparing these matrices. This idea has been used several times since then to define dissimilarity measures between phylogenetic trees but, to our knowledge, no proper metric on weighted phylogenetic trees with nested taxa based on this idea has been formally defined and studied yet. Actually, the cophenetic values of pairs of different taxa alone are not enough to single out phylogenetic trees with weighted arcs or nested taxa. We introduce a new phylogenetic reconstruction algorithm which, unlike most previous rigorous inference techniques, does not rely on assumptions regarding the branch lengths or the depth of the tree. The algorithm returns a forest which is guaranteed to contain all edges that are: 1) sufficiently long and 2) sufficiently close to the leaves. How much of the true tree is recovered depends on the sequence length provided. The algorithm is distance-based and runs in polynomial time. Given natural limitations on the length DNA sequences, designing phylogenetic reconstruction methods which are reliable under limited information is a crucial endeavor. There have been two approaches to this problem: reconstructing partial but reliable information about the tree ( Mo07, DMR08,DHJ06,GMS08 ), and reaching "deeper" in the tree through reconstruction of ancestral sequences. In the latter category, DMR06 settled an important conjecture of M.Steel, showing that, under the CFN model of evolution, all trees on @math leaves with edge lengths bounded by the Ising model phase transition can be recovered with high probability from genomes of length @math with a polynomial time algorithm. Their methods had a running time of @math . Here we enhance our methods from DHJ06 with the learning of ancestral sequences and provide an algorithm for reconstructing a sub-forest of the tree which is reliable given available data, without requiring a-priori known bounds on the edge lengths of the tree. Our methods are based on an intuitive minimum spanning tree approach and run in @math time. For the case of full reconstruction of trees with edges under the phase transition, we maintain the same sequence length requirements as DMR06 , despite the considerably faster running time. Abstract An attempt was made to describe the multifarious form of erect trees by a few parameters. Trees were approximated by the tree-like body which was made up of repeated bifurcations of branches. Three-dimensional positions of the end-points of the branches could be calculated using suitable but tentative solid geometrical assumptions which included some parameters: branching angle and relative ratio of the branch lengths. The branching angle and the relative ratio of the branch lengths were well demonstrated to have great effects upon the whole form of the tree-like body. The whole form of actual trees, therefore, was speculated to be affected also by their branching angle and relative ratio of their branch lengths. This attempt had a relationship to the problems of the morphogenetic process in living organisms and, in general, of the pattern-generation by generation rules. Phylogenetic reconstruction is the problem of reconstructing an evolutionary tree from sequences corresponding to leaves of that tree. A central goal in phylogenetic reconstruction is to be able to reconstruct the tree as accurately as possible from as short as possible input sequences. The sequence length required for correct topological reconstruction depends on certain properties of the tree, such as its depth and minimal edge-weight. Fast converging reconstruction algorithms are considered state-of the-art in this sense, as they require asymptotically minimal sequence length in order to guarantee (with high probability) correct topological reconstruction of the entire tree. However, when the original phylogenetic tree contains very short edges, this minimal sequence-length is still too long for practical purposes. Short edges are not only very hard to reconstruct; their presence may also prevent the correct reconstruction of long edges. In this paper we present a fast converging reconstruction algorithm which returns a partially resolved topology containing all edges of the original tree whose weight exceeds some (non-trivial) lower bound, which is determined by the input sequence length, as well as some properties of the tree, such as its depth. It does not depend, however, on the minimal edge-weight. This lower bound provides a partial reconstruction guarantee which is strictly stronger than the guarantees given by other fast converging algorithms. Our algorithm also has optimal complexity (linear space and quadratic-time) which, together with its partial reconstruction guarantee, makes it appealing for practical use.