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  • Host: GitHub
  • Owner: cossio
  • License: other
  • Language: Python
  • Default Branch: diffRBM
  • Size: 36.1 MB
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Created over 5 years ago · Last pushed about 2 years ago
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README.md

DiffRBM Python package

Python module to train a Differential RBM (DiffRBM), as described in the paper

Barbara Bravi, Andrea Di Gioacchino, Jorge Fernandez-de-Cossio-Diaz, Aleksandra M Walczak, Thierry Mora, Simona Cocco, Rémi Monasson (2023) A transfer-learning approach to predict antigen immunogenicity and T-cell receptor specificity eLife 12:e85126.

Usage of this repo or modifications derived from it should cite the above publication. You can also use the included CITATION.bib file.

This code is based on a fork of https://github.com/jertubiana/PGM, which implements training of a Restricted Boltzmann machine.

On top of that, we implemented here the class DiffRBM (in the file source/diffrbm.py). The following code gives an example of how to construct it:

``` RBM_back # pre-trained background RBM

....

construct the full RBM (back + diff units)

RBMpost = rbm.RBM( visible = RBMback.visible, # nature of visible units hidden = RBMback.hidden, # nature of hidden units nv = RBMback.nv, # number of visible units ncv = RBMback.ncv, # number of states nh = RBMback.nh + diffnh # hidden units = background hidden units + diffRBM units )

construct a DiffRBM object

dRBM = diffrbm.DiffRBM(RBMback, RBMpost)

ensure parameters of the post and back models are in-sync

dRBM.updatepostfrom_back(vlayer=True, hlayer=True) ```

At this point dRBM has been initialized. The background RBM parameters have been copied from the pre-trained RBM_back. Now we need to train the diffRBM units on "selected data". To do this, use the fit_top function,

dRBM.fit_top(sel_data)

See the example notebooks in https://github.com/bravib/diffRBMimmunogenicityTCRspecificity for more details.

Requirements

Python (tested with v3.9), Numpy (tested with v1.23), Numba (tested with v0.56). See also the Requirements section in https://github.com/jertubiana/PGM.

Citation

If you use this code, please cite:

@article{bravi2022learning, title={Learning the differences: a transfer-learning approach to predict antigen immunogenicity and T-cell receptor specificity}, author={Bravi, Barbara and Di Gioacchino, Andrea and Fernandez-de-Cossio-Diaz, Jorge and Walczak, Aleksandra M and Mora, Thierry and Cocco, Simona and Monasson, R{\'e}mi}, journal={bioRxiv}, pages={2022--12}, year={2022}, publisher={Cold Spring Harbor Laboratory} }

Owner

  • Name: Jorge Fernandez-de-Cossio-Diaz
  • Login: cossio
  • Kind: user

Citation (CITATION.bib)

@article {10.7554/eLife.85126,
    article_type = {journal},
    title = {A transfer-learning approach to predict antigen immunogenicity and T-cell receptor specificity},
    author = {Bravi, Barbara and Di Gioacchino, Andrea and Fernandez-de-Cossio-Diaz, Jorge and Walczak, Aleksandra M and Mora, Thierry and Cocco, Simona and Monasson, Rémi},
    editor = {Bitbol, Anne-Florence and Eisen, Michael B},
    volume = 12,
    year = 2023,
    month = {sep},
    pub_date = {2023-09-08},
    pages = {e85126},
    citation = {eLife 2023;12:e85126},
    doi = {10.7554/eLife.85126},
    url = {https://doi.org/10.7554/eLife.85126},
    abstract = {Antigen immunogenicity and the specificity of binding of T-cell receptors to antigens are key properties underlying effective immune responses. Here we propose diffRBM, an approach based on transfer learning and Restricted Boltzmann Machines, to build sequence-based predictive models of these properties. DiffRBM is designed to learn the distinctive patterns in amino-acid composition that, on the one hand, underlie the antigen’s probability of triggering a response, and on the other hand the T-cell receptor’s ability to bind to a given antigen. We show that the patterns learnt by diffRBM allow us to predict putative contact sites of the antigen-receptor complex. We also discriminate immunogenic and non-immunogenic antigens, antigen-specific and generic receptors, reaching performances that compare favorably to existing sequence-based predictors of antigen immunogenicity and T-cell receptor specificity.},
    keywords = {machine learning, immune response, immunogenicity},
    journal = {eLife},
    issn = {2050-084X},
    publisher = {eLife Sciences Publications, Ltd},
}

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