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Jasper Braun

Publications and source records attributed to Jasper Braun.

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$\textit{sentropy}$: A Python Package for Revealing Hidden Differences in Complex Datasets

Machine-learning datasets are typically characterized by measuring their size and class balance. However, there exists a richer and potentially more useful set of measures, termed S-entropy (similarity-sensitive entropy), that incorporate elements' frequencies and between-element similarities. Although these have been available in the R and Julia programming languages for other applications, they have not been as readily available in Python, which is widely used for machine learning, and are not easily applied to machine-learning-sized datasets without special coding considerations. To address these issues, we developed $\textit{sentropy}$, a Python package that calculates S-entropy and is tailored to large datasets. $\textit{sentropy}$ can calculate any of the frequency-sensitive measures of Hill's D-number framework and their similarity-sensitive counterparts. $\textit{sentropy}$ also outputs measures that compare datasets. We first briefly review S-entropy, illustrating how it incorporates elements' frequencies and elements' pairwise similarities. We then describe $\textit{sentropy}$'s key features and usage. We end with several examples - immunomics, metagenomics, computational pathology, and medical imaging - illustrating $\textit{sentropy}$'s applicability across a range of dataset types and fields.

q-bio.QM

Scaling Monte-Carlo-Based Inference on Antibody and TCR Repertoires

Previously, it has been shown that maximum-entropy models of immune-repertoire sequence can be used to determine a person's vaccination status. However, this approach has the drawback of requiring a computationally intensive method to compute each model's partition function ($Z$), the normalization constant required for calculating the probability that the model will generate a given sequence. Specifically, the method required generating approximately $10^{10}$ sequences via Monte-Carlo simulations for each model. This is impractical for large numbers of models. Here we propose an alternative method that requires estimating $Z$ this way for only a few models: it then uses these expensive estimates to estimate $Z$ more efficiently for the remaining models. We demonstrate that this new method enables the generation of accurate estimates for 27 models using only three expensive estimates, thereby reducing the computational cost by an order of magnitude. Importantly, this gain in efficiency is achieved with only minimal impact on classification accuracy. Thus, this new method enables larger-scale investigations in computational immunology and represents a useful contribution to energy-based modeling more generally.

q-bio.QM