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Increasingly sophisticated experiments, coupled with large-scale computational models, have the potential to systematically test biological hypotheses to drive our understanding of multicellular systems. In this short review, we explore key…

Quantitative Methods · Quantitative Biology 2019-10-28 Paul Macklin

Advances in machine learning over the past decade have resulted in a proliferation of algorithmic applications for encoding, characterizing, and acting on complex data that may contain many high dimensional features. Recently, the emergence…

Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modelling…

Chemical Physics · Physics 2019-12-10 Simone Orioli , Andreas Haahr Larsen , Sandro Bottaro , Kresten Lindorff-Larsen

In cancer research there is much interest in building and validating outcome predicting outcomes to support treatment decisions. However, because most outcome prediction models are developed and validated without regard to the causal…

Machine Learning · Computer Science 2024-04-29 Wouter A. C. van Amsterdam , Pim A. de Jong , Joost J. C. Verhoeff , Tim Leiner , Rajesh Ranganath

Computer simulations that demonstrate the valueof novel approaches are crucial to developing more flexibleand robust power systems operations with high penetrations ofrenewable energy at multiple geographic and temporal scales.However,…

Systems and Control · Electrical Eng. & Systems 2020-09-01 Jose Daniel Lara , Jonathan T. Lee , Duncan Callaway , Bri-Mathias Hodge

Computational methods and associated software implementations are central to every field of scientific investigation. Modern biological research, particularly within systems biology, has relied heavily on the development of software tools…

Computers and Society · Computer Science 2025-03-07 Kit Gallagher , Richard Creswell , Ben Lambert , Martin Robinson , Chon Lok Lei , Gary R. Mirams , David J. Gavaghan

Dynamical systems see widespread use in natural sciences like physics, biology, chemistry, as well as engineering disciplines such as circuit analysis, computational fluid dynamics, and control. For simple systems, the differential…

Introduction: Computational modeling has rapidly advanced over the last decades, especially to predict molecular properties for chemistry, material science and drug design. Recently, machine learning techniques have emerged as a powerful…

Like other types of computational research, modeling and simulation of biological processes (biomodels) is still largely communicated without sufficient detail to allow independent reproduction of results. But reproducibility in this area…

Other Quantitative Biology · Quantitative Biology 2023-04-19 Pedro Mendes

Modeling and simulation (M&S) has revolutionized the way modern engineered products are designed, tested and evaluated. Yet modeling and simulation is much less frequently applied in the study of natural biological and active matter…

Subcellular Processes · Quantitative Biology 2021-05-07 Endre T. Somogyi , Jeffery Coulter , Fanbo Sun , Herbert M. Sauro , James A. Glazier

Increasingly sophisticated mathematical modelling processes from Machine Learning are being used to analyse complex data. However, the performance and explainability of these models within practical critical systems requires a rigorous and…

Machine Learning · Computer Science 2020-12-08 Xingyu Zhao , Alec Banks , James Sharp , Valentin Robu , David Flynn , Michael Fisher , Xiaowei Huang

Simulation can enable the study of recommender system (RS) evolution while circumventing many of the issues of empirical longitudinal studies; simulations are comparatively easier to implement, are highly controlled, and pose no ethical…

Computers and Society · Computer Science 2021-08-02 Amy A. Winecoff , Matthew Sun , Eli Lucherini , Arvind Narayanan

The ubiquitous presence of computer simulations in all kinds of research areas evidence their role as the new driving force for the advancement of science and engineering research. Nothing seems to escape the image of success that computer…

Other Computer Science · Computer Science 2019-04-03 Juan M. Durán

Failures in safety-critical Cyber-Physical Systems (CPS), both software and hardware-related, can lead to severe incidents impacting physical infrastructure or even harming humans. As a result, extensive simulations and field tests need to…

Software Engineering · Computer Science 2025-01-28 Ankit Agrawal , Philipp Zech , Michael Vierhauser

The study of Complex Systems is considered by many to be a new scientific field, and is distinguished by being a discipline that has applications within many separate areas of scientific study. The study of Neural Networks, Traffic…

Networking and Internet Architecture · Computer Science 2007-05-23 Jeffrey B. Smith

How should software engineering be adapted for Computational Science (CS)? If we understood that, then we could better support software sustainability, verifiability, reproducibility, comprehension, and usability for CS community. For…

Software Engineering · Computer Science 2020-03-13 Huy Tu , Rishabh Agrawal , Tim Menzies

The use of embedded software is advancing in modern medical devices, so does its capabilities and complexity. This paradigm shift brings many challenges such as an increased rate of medical device failures due to software faults. In this…

Software Engineering · Computer Science 2017-06-21 Atif Mashkoor , Miklos Biro

Reproducibility is a fundamental requirement of the scientific process since it enables outcomes to be replicated and verified. Computational scientific experiments can benefit from improved reproducibility for many reasons, including…

Databases · Computer Science 2019-09-04 Maria Luiza Mondelli , A. Townsend Peterson , Luiz M. R. Gadelha

Biomedical research centers can empower basic discovery and novel therapeutic strategies by leveraging their large-scale datasets from experiments and patients. This data, together with new technologies to create and analyze it, has ushered…

Computational models have great potential to accelerate bioscience, bioengineering, and medicine. However, it remains challenging to reproduce and reuse simulations, in part, because the numerous formats and methods for simulating various…