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Using Phylogenetic Analysis to Investigate Eukaryotic Gene Origin
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Automatic Differentiation is no Panacea for Phylogenetic Gradient Computation.

Mathieu Fourment1, Christiaan J Swanepoel2,3, Jared G Galloway4

  • 1Australian Institute for Microbiology and Infection, University of Technology Sydney, Ultimo, NSW, Australia.

Genome Biology and Evolution
|June 2, 2023
PubMed
Summary
This summary is machine-generated.

Automatic differentiation is slower than specialized methods for phylogenetic likelihood gradients. A combined approach using both phylogenetic and machine learning libraries offers the best performance and flexibility.

Keywords:
Bayesian inferencegradientphylogeneticsvariational inference

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Area of Science:

  • Computational Statistics
  • Machine Learning
  • Phylogenetics

Background:

  • Gradients of probabilistic model likelihoods are crucial for computational statistics and machine learning.
  • Automatic differentiation (AD) in libraries like TensorFlow and PyTorch offers general gradient computation.
  • The efficiency of AD for phylogenetics-specific tasks compared to specialized code is not well-established.

Purpose of the Study:

  • To compare the performance of automatic differentiation with phylogenetics-specific gradient implementations.
  • To evaluate gradient calculation speed and scalability in the context of phylogenetic likelihood functions.
  • To assess the impact of gradient computation on variational inference procedures in phylogenetics.

Main Methods:

  • Implemented and compared six different gradient calculation methods for phylogenetic likelihood functions.
  • Evaluated implementations both in isolation and within a variational inference framework.
  • Assessed performance based on computational speed and scalability with respect to tree size.

Main Results:

  • Automatic differentiation scales approximately linearly with tree size.
  • Specialized gradient calculations for tree likelihood and ratio transformations are significantly faster than AD.
  • AD's general-purpose nature results in slower performance for these specific phylogenetic operations.

Conclusions:

  • A hybrid approach, combining specialized phylogenetic libraries with general machine learning libraries, is recommended.
  • This mixed strategy balances computational speed with the flexibility needed for complex phylogenetic modeling.
  • Future advancements should leverage the strengths of both specialized and general-purpose tools.