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Paul Jonas Jost

Publications and source records attributed to Paul Jonas Jost.

2 recordsLinked to original sources

Balancing label resolution and computational cost in dynamical models of lipid metabolism

Lipid metabolism is a central biological process that is commonly studied using destructive mass-spectrometry experiments. A recently proposed strategy, uses multiple labels to extract temporal information about lipid metabolism from a single destructive measurement. However, the computational complexity of the model-based data analysis increases rapidly with the number of labels, creating a fundamental trade-off between the information content of the measurements and the cost of analysis. Here, we examine how the number of modelled labels affects parameter estimation accuracy, trajectory recovery, and computational cost, and whether modelling fewer labels than are experimentally available can mitigate this trade-off. Using synthetic data from a five-label experiment, we find that modelling three of the five labels provides a practical balance between experimental feasibility, inferential power, and computational tractability. In an application to hepatocyte triglyceride cycling, we further show that the most cost-efficient, single-label model can yield biologically implausible predictions for unobserved species, whereas models that resolve more labels better constrain these latent dynamics. These results provide practical guidance for selecting model resolution in multi-label experiments and establish a quantitative basis for balancing inferential power against computational cost.

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PEtab-GUI: A graphical user interface to create, edit and inspect PEtab parameter estimation problems

Motivation: Parameter estimation is a cornerstone of data-driven modeling in systems biology. Yet, constructing such problems in a reproducible and accessible manner remains challenging. The PEtab format has established itself as a powerful community standard to encode parameter estimation problems, promoting interoperability and reusability. However, its reliance on multiple interlinked files - often edited manually - can introduce inconsistencies, and new users often struggle to navigate them. Here, we present PEtab-GUI, an open-source Python application designed to streamline the creation, editing, and validation of PEtab problems through an intuitive graphical user interface. PEtab-GUI integrates all PEtab components, including SBML models and tabular files, into a single environment with live error-checking and customizable defaults. Interactive visualization and simulation capabilities enable users to inspect the relationship between the model and the data. PEtab-GUI lowers the barrier to entry for specifying standardized parameter estimation problems, making dynamic modeling more accessible, especially in educational and interdisciplinary settings. Availability and Implementation: PEtab-GUI is implemented in Python, open-source under a 3-Clause BSD license. The code, designed to be modular and extensible, is hosted on https://github.com/PEtab-dev/PEtab-GUI and can be installed from PyPI. Key words: Parameter Estimation, Python, Graphical User Interface, Systems Biology

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