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20251019155655 + + JOSS Admin + admin@theoj.org + + The Open Journal + + + + + Journal of Open Source Software + JOSS + 2475-9066 + + 10.21105/joss + https://joss.theoj.org + + + + + 10 + 2025 + + + 10 + + 114 + + + + phylo2vec: a library for vector-based phylogenetic tree manipulation + + + + Neil + Scheidwasser + + Section of Health Data Science and AI, University of Copenhagen, Copenhagen, Denmark + + https://orcid.org/0000-0001-9922-0289 + + + Ayush + Nag + + eScience Institute, University of Washington, Seattle, United States + + https://orcid.org/0009-0008-1790-597X + + + Matthew J. + Penn + + Section of Health Data Science and AI, University of Copenhagen, Copenhagen, Denmark + + https://orcid.org/0000-0001-8682-5393 + + + Anthony + Jakob + + Independent researcher + + https://orcid.org/0000-0002-0996-1356 + + + Frederik Mølkjær + Andersen + + Section of Health Data Science and AI, University of Copenhagen, Copenhagen, Denmark + + https://orcid.org/0009-0004-4071-3707 + + + Mark 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+ + + + +Journal of Open Source Software +JOSS + +2475-9066 + +Open Journals + + + +9040 +10.21105/joss.09040 + +phylo2vec: a library for vector-based phylogenetic tree +manipulation + + + +https://orcid.org/0000-0001-9922-0289 + +Scheidwasser +Neil + + + + +https://orcid.org/0009-0008-1790-597X + +Nag +Ayush + + + + +https://orcid.org/0000-0001-8682-5393 + +Penn +Matthew J. + + + + +https://orcid.org/0000-0002-0996-1356 + +Jakob +Anthony + + + + +https://orcid.org/0009-0004-4071-3707 + +Andersen +Frederik Mølkjær + + + + +https://orcid.org/0000-0002-1123-7674 + +Khurana +Mark Poulsen + + + + +https://orcid.org/0000-0002-1624-2667 + +Setiawan +Landung + + + + +https://orcid.org/0000-0002-5479-1974 + +Duchêne +David A. + + + + +https://orcid.org/0000-0002-0891-4611 + +Bhatt +Samir + + + +* + + + +Section of Health Data Science and AI, University of +Copenhagen, Copenhagen, Denmark + + + + +eScience Institute, University of Washington, Seattle, +United States + + + + +MRC Centre for Global Infectious Disease Analysis, Imperial +College London, London, United Kingdom + + + + +Independent researcher + + + + +* E-mail: + + +13 +6 +2025 + +10 +114 +9040 + +Authors of papers retain copyright and release the +work under a Creative Commons Attribution 4.0 International License (CC +BY 4.0) +2025 +The article authors + +Authors of papers retain copyright and release the work under +a Creative Commons Attribution 4.0 International License (CC BY +4.0) + + + +Rust +Python +R +bioinformatics +phylogenetics +binary tree + + + + + + Summary +

Phylogenetics is a fundamental component of evolutionary analysis + frameworks in biology + (Yang, + 2014) and linguistics + (Atkinson + & Gray, 2005). Recently, the advent of large-scale genomics + and the SARS-CoV-2 pandemic has highlighted the necessity for + phylogenetic software to handle large datasets + (Attwood + et al., 2022; + Kapli + et al., 2020; + Khurana + et al., 2024; + Kraemer + et al., 2025). While significant efforts have focused on + scaling optimisation algorithms + (De + Maio et al., 2023; + Sanderson, + 2021; + Turakhia + et al., 2021), visualisation + (Sanderson, + 2022), and lineage identification + (McBroome + et al., 2024), an emerging body of research has been dedicated + to efficient representations of data for genomes + (Deorowicz + et al., 2023) and phylogenetic trees + (Chauve + et al., 2025; + Penn + et al., 2025; + Richman + et al., 2025). Compared to the traditional Newick format which + represents trees using strings of nested parentheses + (Felsenstein, + 2004), modern tree representations utilise integer vectors to + define the tree topology traversal. This approach offers several + advantages, including easier manipulation, increased memory + efficiency, and applicability to machine learning.

+

Here, we present the latest release of + phylo2vec (or Phylo2Vec), a high-performance + software package for encoding, manipulating, and analysing binary + phylogenetic trees. At its core, the package is based on the phylo2vec + (Penn + et al., 2025) representation of binary trees, and is designed + to enable fast sampling and tree comparison. This release features a + core implementation in Rust for improved performance and memory + efficiency + ([fig:benchmarks]) + with wrappers in R and Python (superseding the original Python release + (Penn + et al., 2025)), making it accessible to a broad audience in the + bioinformatics community.

+ +

Benchmark times for converting a phylo2vec vector to a + Newick string (left) and vice versa (right). Execution time was + measured over at least 20 runs per size, comparing Python functions + in the latest release (via Rust bindings with + PyO3) + against the previous release + (Penn + et al., 2025) based on Numba + (Lam + et al., 2015). All benchmarks were performed on a workstation + equipped with an AMD Ryzen Threadripper PRO 5995WX (64 cores, 2.7 + GHz) and 256 GB of RAM. +

+ +
+
+ + Statement of need +

The purpose of the phylo2vec library is + threefold. First, it provides robust phylogenetic tree manipulation in + Rust, complementing other efforts such as + light_phylogeny + (Duchemin + et al., 2018) for reconciled phylogenies + (Nakhleh, + 2013) and rust-bio + (Köster, + 2016), which does not yet cover phylogenetics. Second, it + complements existing libraries such as ape + (Paradis + & Schliep, 2019) in R, and ete3 + (Huerta-Cepas + et al., 2016) and DendroPy + (Moreno + et al., 2024) in Python, by providing fast tree sampling and + comparison, and efficient tree data compression + (Penn + et al., 2025). Third, the phylo2vec representation offers a + pathway to using new optimisation frameworks for phylogenetic + inference. A notable example is GradME + (Penn + et al., 2023), a gradient descent-based algorithm which uses a + continuous relaxation of the phylo2vec representation.

+
+ + Features +

The presented release of phylo2vec addresses + optimisation limitations of + (Penn + et al., 2025) with + + 𝒪(nlogn) + implementations for vector-to-Newick and Newick-to-vector conversions, + leveraging Adelson-Velsky and Landis (AVL) trees + (Adelson-Velsky + & Landis, 1962) and Fenwick trees + (Fenwick, + 1994), respectively.

+

New features in the latest release include an extension of the + vector representation to support branch length annotations, leaf-level + operations (pruning, placement, and MRCA identification), fast + cophenetic distance matrix calculation, and various optimisation + schemes based on phylo2vec tree representations, notably hill-climbing + (Penn + et al., 2025) and GradME + (Penn + et al., 2023). We also propose a likelihood function for + Bayesian MCMC inference that leverages tree representation + similarities with BEAGLE + (Ayres + et al., 2012; + Suchard + & Rambaut, 2009). Finally, user-friendliness is enhanced + with step-by-step demos of phylo2vec’s representations and core + functions.

+
+ + Maintenance +

A strong focus of this release is to support long-term maintenance + through implementing recommended software practices into its project + structure and development workflow. The project is structured with a + Rust API containing core algorithms with language bindings to avoid + tight coupling and enable easy language additions. Additionally, we + have established a robust continuous integration (CI) pipeline using + GitHub Actions, which features:

+ + +

Unit test frameworks for Rust + (cargo), + Python + (pytest), + and R (testthat + (Wickham, + 2011))

+
+ +

Benchmarking on the Rust code + (criterion) + and its Python bindings + (pytest-benchmark)

+
+
+

Lastly, to complement Jupyter Notebook demos, comprehensive + documentation is provided using + Jupyter + Book and + Read + the Docs.

+
+ + Acknowledgements +

S.B. acknowledges funding from the MRC Centre for Global Infectious + Disease Analysis (reference MR/X020258/1), funded by the UK Medical + Research Council (MRC). This UK-funded award is carried out within the + framework of the Global Health EDCTP3 Joint Undertaking. S.B. + acknowledges support from the Danish National Research Foundation via + a chair grant (DNRF160, also supporting N.S. and M.P.K.), The Eric and + Wendy Schmidt Fund For Strategic Innovation via the Schmidt Polymath + Award (G-22-63345, also supporting M.J.P. and F.M.A.), and the Novo + Nordisk Foundation via The Novo Nordisk Young Investigator Award + (NNF20OC0059309). D.A.D. is supported by a Data Science - Emerging + Researcher award from Novo Nordisk Fonden (NNF23OC0084647). The + authors also thank Madeline Gordon for her help in implementing + functions related to the matrix format.

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