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Molecular dynamics (MD) simulations have been widely applied to study macromolecules including proteins. However, high-dimensionality of the datasets produced by simulations makes it difficult for thorough analysis, and further hinders a…

Quantitative Methods · Quantitative Biology 2022-05-17 Hao Tian , Peng Tao

In this work we propose and investigate a new strategy of vaccination, which we call "dynamic vaccination". In our model, susceptible people become aware that one or more of their contacts are infected, and thereby get vaccinated with…

Physics and Society · Physics 2019-01-09 L. G. Alvarez-Zuzek , M. A. Di Muro , S. Havlin , L. A. Braunstein

We focus on the problem of sequential decision making in partially observable environments shared with other agents of uncertain types having similar or conflicting objectives. This problem has been previously formalized by multiple…

Artificial Intelligence · Computer Science 2014-01-21 Yifeng Zeng , Prashant Doshi

Estimates of national immunization coverage are crucial for guiding policy and decision-making in national immunization programs and setting the global immunization agenda. WHO and UNICEF estimates of national immunization coverage (WUENIC)…

Model-informed precision dosing (MIPD) is a quantitative dosing framework that combines prior knowledge on the drug-disease-patient system with patient data from therapeutic drug/ biomarker monitoring (TDM) to support individualized dosing…

Optimization and Control · Mathematics 2021-06-08 Corinna Maier , Jana de Wiljes , Niklas Hartung , Charlotte Kloft , Wilhelm Huisinga

Modeling transformations between arbitrary data distributions is a fundamental scientific challenge, arising in applications like drug discovery and evolutionary simulation. While flow matching offers a natural framework for this task, its…

Machine Learning · Computer Science 2025-10-09 Shiye Su , Yuhui Zhang , Linqi Zhou , Rajesh Ranganath , Serena Yeung-Levy

We consider a formal statistical design that allows simultaneous enrollment of a main cohort and a backfill cohort of patients in a dose-finding trial. The goal is to accumulate more information at various doses to facilitate dose…

Applications · Statistics 2024-04-03 Jiaxin Liu , Shijie Yuan , B. Nebiyou Bekele , Yuan Ji

Optimal use and distribution of Covid-19 vaccines involves adjustments of dosing. Due to the rapidly-evolving pandemic, such adjustments often need to be introduced before full efficacy data are available. As demonstrated in other areas of…

Quantitative Methods · Quantitative Biology 2021-08-17 Mario Giorgi , Rajat Desikan , Piet H. van der Graaf , Andrzej M. Kierzek

Incorporating vaccination into mathematical models appears deceptively simple: models integrate vaccine-derived protections, such as reduced susceptibility to infection, using parameters informed by empirical estimates of vaccine efficacy…

Populations and Evolution · Quantitative Biology 2026-05-19 Casey E. Middleton , Oliver Eales , James M. McCaw , Freya M. Shearer

The effectiveness of data-driven techniques significantly relies on the input signal used to generate the training data. Nevertheless, there is a notable gap in research when it comes to designing excitation signals for identifying…

Systems and Control · Electrical Eng. & Systems 2024-10-02 Max Heinz Herkersdorf , Tarek Koesters , Oliver Nelles

Effective vaccine prioritization is critical for epidemic control, yet real outbreaks exhibit memory effects that inflate state space and make long-term prediction and optimization challenging. As a result, many strategies are tuned to…

Biological Physics · Physics 2025-11-11 Mi Feng , Liang Tian , Changsong Zhou

A key objective in vaccine studies is to evaluate vaccine-induced immunogenicity and determine whether participants have mounted a response to the vaccine. Cellular immune responses are essential for assessing vaccine-induced…

Methodology · Statistics 2025-07-10 Zhe Chen , Siyu Heng , Asa Tapley , Stephen De Rosa , Bo Zhang

The traditional more-is-better dose selection paradigm, developed based on cytotoxic chemotherapeutics, is often problematic When applied to the development of novel molecularly targeted agents (e.g., kinase inhibitors, monoclonal…

Methodology · Statistics 2022-11-04 Liyun Jiang , Ying Yuan

In randomized dose-finding trials, although drug exposure data form a part of key information for dose selection, the evaluation of the dose-response (DR) relationship often mainly uses DR data. We examine the benefit of…

Methodology · Statistics 2025-08-07 Jixian Wang , Zhiwei Zhang , Ram Tiwari

Background: Phase I trials desire to identify the maximum tolerated dose (MTD) early and proceed quickly to an expansion cohort or phase II trial for efficacy. We propose an early completion method based on multiple dosages to accelerate…

Quantitative Methods · Quantitative Biology 2021-10-04 Masahiro Kojima

Non-coplanar Intensity-Modulated Radiation Therapy (IMRT) goes a step further by orienting the gantry carrying the radiation beam and the patient couch in a non-coplanar manner to accurately target the cancer region and better avoid…

Medical Physics · Physics 2023-05-16 Fang Guo , Franklin Okoli , Ulrike Schick , Dimitris Visvikis , Antoine Valeri , Julien Bert

A persistent public health challenge is finding immunization schemes that are effective in combating highly mutable pathogens such as HIV and influenza viruses. To address this, we analyze a simplified model of affinity maturation, the…

Populations and Evolution · Quantitative Biology 2024-04-25 Saeed Mahdisoltani , Pranav Murugan , Arup K Chakraborty , Mehran Kardar

In this article, we propose a phase I-II design in two stages for the combination of molecularly targeted therapies. The design is motivated by a published case study that combines a MEK and a PIK3CA inhibitors; a setting in which higher…

Methodology · Statistics 2025-05-21 José L. Jiménez , Mourad Tighiouart

In immune system simulation there are two competing simulation approaches: System Dynamics Simulation (SDS) and Agent-Based Simulation (ABS). In the literature there is little guidance on how to choose the best approach for a specific…

Computational Engineering, Finance, and Science · Computer Science 2013-07-05 Grazziela P Figueredo , Uwe Aickelin , Peer-Olaf Siebers

Radiation therapy aims to deliver the prescribed amount of dose to a tumour at the same time as sparing the surrounding tissues as much as possible. In charged particle therapy, delivering the prescribed dose is equivalent to delivering the…

Medical Physics · Physics 2018-03-05 Simona Giordanengo , Marco Donetti