arXiv subjects

Dagmar Waltemath

Publications and source records attributed to Dagmar Waltemath.

3 recordsLinked to original sources

arXiv2026

Making Models That Matter: How to Build Trustworthy and Useful Systems Biology Models

Computational models supporting mechanistic understanding of (complex) biological systems, systems behaviour prediction, and experimental design are becoming more and more embedded in research on complex biological systems. Reuse and refinement of models, rather than continuous reinvention, is becoming increasingly important as models' demands on computational infrastructure increase. However published models - despite the variety of efforts taken so far - are frequently difficult to reproduce or reuse, substantially limiting their scientific value. Here we address the requirements for model reusability in the light of the field-specific CURE framework (Credible, Understandable, Reproducible, Extensible) and the more general FAIR principles (Findable, Accessible, Interoperable, Reusable). Considering published guidance we identify broad agreement on requirements for findability, accessibility, and interoperability, but continued lack of clarity and consensus around reusability. Focusing on the scientific quality and usability of computational models we discuss six key practices underpinning model sharing and re-use. Mapping the FAIR and CURE principles onto the model lifecycle we propose ten recommendations for building and sharing systems biology models that are both FAIR- and CURE-compliant.

q-bio.OT↗

arXiv2025

From FAIR to CURE: Guidelines for Computational Models of Biological Systems

Guidelines for managing scientific data have been established under the FAIR principles requiring that data be Findable, Accessible, Interoperable, and Reusable. In many scientific disciplines, especially computational biology, both data and models are key to progress. For this reason, and recognizing that such models are a very special type of 'data', we argue that computational models, especially mechanistic models prevalent in medicine, physiology and systems biology, deserve a complementary set of guidelines. We propose the CURE principles, emphasizing that models should be Credible, Understandable, Reproducible, and Extensible. We delve into each principle, discussing verification, validation, and uncertainty quantification for model credibility; the clarity of model descriptions and annotations for understandability; adherence to standards and open science practices for reproducibility; and the use of open standards and modular code for extensibility and reuse. We outline recommended and baseline requirements for each aspect of CURE, aiming to enhance the impact and trustworthiness of computational models, particularly in biomedical applications where credibility is paramount. Our perspective underscores the need for a more disciplined approach to modeling, aligning with emerging trends such as Digital Twins and emphasizing the importance of data and modeling standards for interoperability and reuse. Finally, we emphasize that given the non-trivial effort required to implement the guidelines, the community moves to automate as many of the guidelines as possible.

q-bio.OT↗

arXiv2014

One file to share them all: Using the COMBINE Archive and the OMEX format to share all information about a modeling project

Background: With the ever increasing use of computational models in the biosciences, the need to share models and reproduce the results of published studies efficiently and easily is becoming more important. To this end, various standards have been proposed that can be used to describe models, simulations, data or other essential information in a consistent fashion. These constitute various separate components required to reproduce a given published scientific result. Results: We describe the Open Modeling EXchange format (OMEX). Together with the use of other standard formats from the Computational Modeling in Biology Network (COMBINE), OMEX is the basis of the COMBINE Archive, a single file that supports the exchange of all the information necessary for a modeling and simulation experiment in biology. An OMEX file is a ZIP container that includes a manifest file, listing the content of the archive, an optional metadata file adding information about the archive and its content, and the files describing the model. The content of a COMBINE Archive consists of files encoded in COMBINE standards whenever possible, but may include additional files defined by an Internet Media Type. Several tools that support the COMBINE Archive are available, either as independent libraries or embedded in modeling software. Conclusions: The COMBINE Archive facilitates the reproduction of modeling and simulation experiments in biology by embedding all the relevant information in one file. Having all the information stored and exchanged at once also helps in building activity logs and audit trails. We anticipate that the COMBINE Archive will become a significant help for modellers, as the domain moves to larger, more complex experiments such as multi-scale models of organs, digital organisms, and bioengineering.

cs.DL↗