Minimizing the average distance to a closest leaf in a phylogenetic tree

When performing an analysis on a collection of molecular sequences, it can be convenient to reduce the number of sequences under consideration while maintaining some characteristic of a larger collection of sequences. For example, one may wish to select a subset of high-quality sequences that represent the diversity of a larger collection of sequences. One may also wish to specialize a large database of characterized "reference sequences" to a smaller subset that is as close as possible on average to a collection of "query sequences" of interest. Such a representative subset can be useful whenever one wishes to find a set of reference sequences that is appropriate to use for comparative analysis of environmentally-derived sequences, such as for selecting "reference tree" sequences for phylogenetic placement of metagenomic reads. In this paper we formalize these problems in terms of the minimization of the Average Distance to the Closest Leaf (ADCL) and investigate algorithms to perform the relevant minimization. We show that the greedy algorithm is not effective, show that a variant of the Partitioning Among Medoids (PAM) heuristic gets stuck in local minima, and develop an exact dynamic programming approach. Using this exact program we note that the performance of PAM appears to be good for simulated trees, and is faster than the exact algorithm for small trees. On the other hand, the exact program gives solutions for all numbers of leaves less than or equal to the given desired number of leaves, while PAM only gives a solution for the pre-specified number of leaves. Via application to real data, we show that the ADCL criterion chooses chimeric sequences less often than random subsets, while the maximization of phylogenetic diversity chooses them more often than random. These algorithms have been implemented in publicly available software.Comment: Please contact us with any comments or questions

Parameterized Approximation Schemes using Graph Widths

Combining the techniques of approximation algorithms and parameterized complexity has long been considered a promising research area, but relatively few results are currently known. In this paper we study the parameterized approximability of a number of problems which are known to be hard to solve exactly when parameterized by treewidth or clique-width. Our main contribution is to present a natural randomized rounding technique that extends well-known ideas and can be used for both of these widths. Applying this very generic technique we obtain approximation schemes for a number of problems, evading both polynomial-time inapproximability and parameterized intractability bounds

Fine-Grained Complexity Analysis of Two Classic TSP Variants

We analyze two classic variants of the Traveling Salesman Problem using the toolkit of fine-grained complexity. Our first set of results is motivated by the Bitonic TSP problem: given a set of $n$ points in the plane, compute a shortest tour consisting of two monotone chains. It is a classic dynamic-programming exercise to solve this problem in $O(n^2)$ time. While the near-quadratic dependency of similar dynamic programs for Longest Common Subsequence and Discrete Frechet Distance has recently been proven to be essentially optimal under the Strong Exponential Time Hypothesis, we show that bitonic tours can be found in subquadratic time. More precisely, we present an algorithm that solves bitonic TSP in $O(n \log^2 n)$ time and its bottleneck version in $O(n \log^3 n)$ time. Our second set of results concerns the popular $k$-OPT heuristic for TSP in the graph setting. More precisely, we study the $k$-OPT decision problem, which asks whether a given tour can be improved by a $k$-OPT move that replaces $k$ edges in the tour by $k$ new edges. A simple algorithm solves $k$-OPT in $O(n^k)$ time for fixed $k$. For 2-OPT, this is easily seen to be optimal. For $k=3$ we prove that an algorithm with a runtime of the form $\tilde{O}(n^{3-\epsilon})$ exists if and only if All-Pairs Shortest Paths in weighted digraphs has such an algorithm. The results for $k=2,3$ may suggest that the actual time complexity of $k$-OPT is $\Theta(n^k)$. We show that this is not the case, by presenting an algorithm that finds the best $k$-move in $O(n^{\lfloor 2k/3 \rfloor + 1})$ time for fixed $k \geq 3$. This implies that 4-OPT can be solved in $O(n^3)$ time, matching the best-known algorithm for 3-OPT. Finally, we show how to beat the quadratic barrier for $k=2$ in two important settings, namely for points in the plane and when we want to solve 2-OPT repeatedly.Comment: Extended abstract appears in the Proceedings of the 43rd International Colloquium on Automata, Languages, and Programming (ICALP 2016

Random model trees: an effective and scalable regression method

We present and investigate ensembles of randomized model trees as a novel regression method. Such ensembles combine the scalability of tree-based methods with predictive performance rivaling the state of the art in numeric prediction. An extensive empirical investigation shows that Random Model Trees produce predictive performance which is competitive with state-of-the-art methods like Gaussian Processes Regression or Additive Groves of Regression Trees. The training and optimization of Random Model Trees scales better than Gaussian Processes Regression to larger datasets, and enjoys a constant advantage over Additive Groves of the order of one to two orders of magnitude