Optimal Phylogenetic Reconstruction from Sampled Quartets

TL;DR

This paper establishes the optimal sample complexity for phylogenetic tree reconstruction from quartets, providing an efficient algorithm that recovers trees close to the ground truth with near-linear samples.

Contribution

It introduces an optimal sample complexity bound of a9(n) for tree reconstruction from quartets and presents a novel algorithm with theoretical guarantees.

Findings

Reconstruction from a9(n) quartets is information-theoretically optimal.

The proposed algorithm achieves a tree close to the true tree in quartet distance.

A new a9(n) bound on the Natarajan dimension of phylogenies was established.

Abstract

Quartet Reconstruction, the task of recovering a phylogenetic tree from smaller trees on four species called \textit{quartets}, is a well-studied problem in theoretical computer science with far-reaching connections to statistics, graph theory and biology. Given a random sample containing $m$ noisy quartets, labeled by an unknown ground-truth tree $T$ on $n$ taxa, we want to output a tree $\widehat T$ that is \textit{close} to $T$ in terms of quartet distance and can predict unseen quartets. Unfortunately, the empirical risk minimizer corresponds to the $\mathsf{NP}$-hard problem of finding a tree that maximizes agreements with the sampled quartets, and earlier works in approximation algorithms gave $(1-\eps)$-approximation schemes (PTAS) for dense instances with $m=\Theta(n^4)$ quartets, or for $m=\Theta(n^2\log n)$ quartets \textit{randomly} sampled from $T$. Prior to our work, it was unknown how many samples are information-theoretically required to learn the tree, and whether there is an efficient reconstruction algorithm. We present optimal results for reconstructing an unknown phylogenetic tree $T$ from a random sample of $m=\Theta(n)$ quartets, corrupted under the Random Classification Noise (RCN) model. This matches the $\Omega(n)$ lower bound required for any meaningful tree reconstruction. Our contribution is twofold: first, we give a tree reconstruction algorithm that, not only achieves a $(1-\eps)$-approximation, but most importantly \textit{recovers} a tree close to $T$ in quartet distance; second, we show a new $\Theta(n)$ bound on the Natarajan dimension of phylogenies (an analog of VC dimension in multiclass classification). Our analysis relies on a new \textit{Quartet-based Embedding and Detection} procedure that identifies and removes well-clustered subtrees from the (unknown) ground-truth $T$ via semidefinite programming.