Computational frameworks for modelling cancer across scales

Abstract Purpose : Cancer progression is a non‐linear, multiscale process driven by the interaction of molecular, cellular and tissue systems, which ultimately leads to tumour growth, invasion and metastasis. Understanding and predicting these dynamics is essential for improving diagnostics and personalising therapy. Mathematical and computational modelling has become central to this effort, enabling in silico simulations of progression and treatment response. Methods : This survey outlines computational frameworks for modelling cancer across biological scales, incorporating mathematical formalisms and algorithmic paradigms. These frameworks include: ordinary and partial differential equation models of growth, angiogenesis and invasion; agent‐based and hybrid multiscale approaches that capture heterogeneity and microenvironmental feedback; emerging digital twin platforms that integrate mechanistic and data‐driven modelling for patient‐specific predictions. Recent advances in artificial intelligence (AI), such as graph neural networks, transformer‐based architectures and multimodal data fusion, enhance these frameworks by combining interpretability with predictive power through mechanistic learning pipelines. Results : Based on these advances, the survey presents a conceptual roadmap for multiscale cancer modelling. This roadmap offers a structured workflow that begins with defining the biological question and modelling scale and continues through selecting appropriate paradigms, calibrating and validating models with experimental or clinical data and integrating multimodal information into individualised simulations. The long‐term goal is to develop digital twins of cancer that can personalise and optimise therapy and ultimately guide clinical decisions. These models will capture processes ranging from single‐cell dynamics and cancer progression to angiogenesis, tumour evolution and treatment response. To achieve this vision, we need advances in parameter calibration, multimodal dataset integration and cross‐scale model validation. Conclusion : Computational oncology bridges the gap between biological mechanisms and predictive modelling, offering a framework for reproducible, data‐driven precision medicine. The convergence of mechanistic modelling, AI‐assisted inference and digital twin technologies establishes a continuum for translating research into real‐time, patient‐specific decision support in oncology. Highlights Provides an integrative overview of computational frameworks for modelling cancer across biological scales. Illustrates the characteristics, advantages, and limitations of ODE/PDE, agent‐based, hybrid multiscale, and integrative translational models. Highlights how these paradigms collectively bridge mechanistic understanding with clinical translation. Presents a conceptual roadmap linking modelling methodologies to precision oncology applications.

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Publication Details

Journal
Clinical and Translational Discovery
Published
2025-11-03
DOI
https://doi.org/10.1002/ctd2.70093
Citations
1
Primary Topic
Mathematical Biology Tumor Growth
Type
article
Field-Weighted Citation Impact
1.37
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article

Computational frameworks for modelling cancer across scales

Dagmar Brislinger, Christian Baumgärtner, Celine Desoyer, Daniel Loibner
1 citations
Clinical and Translational Discovery
Mathematical Biology Tumor Growth
1.37
article

Computational frameworks for modelling cancer across scales

Dagmar Brislinger, Christian Baumgärtner, Celine Desoyer, Daniel Loibner
article en
1 citations

Abstract

Abstract Purpose : Cancer progression is a non‐linear, multiscale process driven by the interaction of molecular, cellular and tissue systems, which ultimately leads to tumour growth, invasion and metastasis. Understanding and predicting these dynamics is essential for improving diagnostics and personalising therapy. Mathematical and computational modelling has become central to this effort, enabling in silico simulations of progression and treatment response. Methods : This survey outlines computational frameworks for modelling cancer across biological scales, incorporating mathematical formalisms and algorithmic paradigms. These frameworks include: ordinary and partial differential equation models of growth, angiogenesis and invasion; agent‐based and hybrid multiscale approaches that capture heterogeneity and microenvironmental feedback; emerging digital twin platforms that integrate mechanistic and data‐driven modelling for patient‐specific predictions. Recent advances in artificial intelligence (AI), such as graph neural networks, transformer‐based architectures and multimodal data fusion, enhance these frameworks by combining interpretability with predictive power through mechanistic learning pipelines. Results : Based on these advances, the survey presents a conceptual roadmap for multiscale cancer modelling. This roadmap offers a structured workflow that begins with defining the biological question and modelling scale and continues through selecting appropriate paradigms, calibrating and validating models with experimental or clinical data and integrating multimodal information into individualised simulations. The long‐term goal is to develop digital twins of cancer that can personalise and optimise therapy and ultimately guide clinical decisions. These models will capture processes ranging from single‐cell dynamics and cancer progression to angiogenesis, tumour evolution and treatment response. To achieve this vision, we need advances in parameter calibration, multimodal dataset integration and cross‐scale model validation. Conclusion : Computational oncology bridges the gap between biological mechanisms and predictive modelling, offering a framework for reproducible, data‐driven precision medicine. The convergence of mechanistic modelling, AI‐assisted inference and digital twin technologies establishes a continuum for translating research into real‐time, patient‐specific decision support in oncology. Highlights Provides an integrative overview of computational frameworks for modelling cancer across biological scales. Illustrates the characteristics, advantages, and limitations of ODE/PDE, agent‐based, hybrid multiscale, and integrative translational models. Highlights how these paradigms collectively bridge mechanistic understanding with clinical translation. Presents a conceptual roadmap linking modelling methodologies to precision oncology applications.

Clinical and Translational DiscoveryVol. 5(6)
Medical University of Graz (AT), Graz University of Technology (AT), BioTechMed-Graz (AT)
Openalex Percentile: Top 16%
Mathematical Biology Tumor Growth
1.37
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