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We develop a methodology to create data-driven predictive digital twins for optimal risk-aware clinical decision-making. We illustrate the methodology as an enabler for an anticipatory personalized treatment that accounts for uncertainties…

Computational Engineering, Finance, and Science · Computer Science 2024-06-18 Anirban Chaudhuri , Graham Pash , David A. Hormuth , Guillermo Lorenzo , Michael Kapteyn , Chengyue Wu , Ernesto A. B. F. Lima , Thomas E. Yankeelov , Karen Willcox

It is increasingly common for therapies in oncology to be given in combination. In some cases, patients can benefit from the interaction between two drugs, although often at the risk of higher toxicity. A large number of designs to conduct…

An individualized dose rule recommends a dose level within a continuous safe dose range based on patient level information such as physical conditions, genetic factors and medication histories. Traditionally, personalized dose finding…

Methodology · Statistics 2020-07-21 Liangyu Zhu , Wenbin Lu , Michael R. Kosorok , Rui Song

Phase I dose-escalation trials must be guided by a safety model in order to avoid exposing patients to unacceptably high risk of toxicities. Traditionally, these trials are based on one type of schedule. In more recent practice, however,…

Methodology · Statistics 2020-08-18 Burak Kürsad Günhan , Sebastian Weber , Tim Friede

While cancer has traditionally been considered a genetic disease, mounting evidence indicates an important role for non-genetic (epigenetic) mechanisms. Common anti-cancer drugs have recently been observed to induce the adoption of…

Populations and Evolution · Quantitative Biology 2025-07-04 Einar Bjarki Gunnarsson , Benedikt Vilji Magnússon , Jasmine Foo

Conditional molecular optimization aims to edit a molecule to realize a specified property shift. In practice, structurally similar molecule data is scarce, while decisions are inherently action-level: at each step, the system must select…

Artificial Intelligence · Computer Science 2026-05-12 Haojie Rao , Kun Li , Yida Xiong , Jiameng Chen , Wenbin Hu , Yizhen Zheng , Jiajun Yu , Duanhua Cao

Designing patient-specific follow-up strategy is a crucial step towards personalized medicine in cancer. Tools to help doctors deciding on treatment allocation together with next visit date, based on patient preferences and medical…

Optimization and Control · Mathematics 2024-01-09 Benoîte de Saporta , Aymar Thierry d'Argenlieu , Régis Sabbadin , Alice Cleynen

Personalized cancer treatment requires a thorough understanding of complex interactions between drugs and cancer cell lines in varying genetic and molecular contexts. To address this, high-throughput screening has been used to generate…

Machine Learning · Computer Science 2023-07-03 Vishal Dey , Xia Ning

In many applied optimization settings, parameters that define the constraints may not guarantee the best possible solution, and superior solutions might exist that are infeasible for the given parameter values. Removing such constraints,…

Optimization and Control · Mathematics 2024-07-22 Farzin Ahmadi , Todd R. McNutt , Kimia Ghobadi

Although there is an extensive statistical literature showing the disadvantages of discretizing continuous variables, categorization is a common practice in clinical research which results in substantial loss of information. A large…

Methodology · Statistics 2017-08-17 Márcio Augusto Diniz , Mourad Tighiouart , André Rogatko

The challenge of removing cancerous cells lies in the limitation of organ at risk, which restricts the ability to increase the radiation dose adequately for enhancing treatment effectiveness. This survey provides a comprehensive overview of…

Medical Physics · Physics 2023-07-27 Amir Moslemi , Navid Khaledi

This study investigates the applicability of 3D dose predictions from a model trained on one modality to a cross-modality automated planning workflow. Additionally, we explore the impact of integrating a multi-criteria optimizer on adapting…

Medical Physics · Physics 2024-02-26 Gregory Szalkowski , Xuanang Xu , Shiva Das , Pew-Thian Yap , Jun Lian

We conduct a theoretical study of various solution methods for the adaptive fractionation problem. The two messages of this paper are: (i) dynamic programming (DP) is a useful framework for adaptive radiation therapy, particularly adaptive…

Medical Physics · Physics 2012-02-16 Jagdish Ramakrishnan , David Craft , Thomas Bortfeld , John N. Tsitsiklis

Accurate dose calculation is vitally important for proton therapy. Pencil beam (PB) model-based dose calculation is fast but inaccurate due to the approximation when dealing with inhomogeneities. Monte Carlo (MC) dose calculation is the…

This paper discusses algorithms for solving Markov decision processes (MDPs) that have monotone optimal policies. We propose a two-stage alternating convex optimization scheme that can accelerate the search for an optimal policy by…

Systems and Control · Computer Science 2017-04-04 Robert Mattila , Cristian R. Rojas , Vikram Krishnamurthy , Bo Wahlberg

To promote precision medicine, individualized treatment regimes (ITRs) are crucial for optimizing the expected clinical outcome based on patient-specific characteristics. However, existing ITR research has primarily focused on scenarios…

Methodology · Statistics 2024-02-20 Chang Wang , Lu Wang

While the use of combination therapy is increasing in prevalence for cancer treatment, it is often difficult to predict the exact interactions between different treatment forms, and their synergistic/antagonistic effects on patient health…

Optimization and Control · Mathematics 2021-01-29 Jayanth Pratap

The next great leap toward improving treatment of cancer with radiation will require the combined use of online adaptive and magnetic resonance guided radiation therapy techniques with automatic X-ray beam orientation selection.…

Medical Physics · Physics 2019-08-14 Ryan Neph , Yangsibo Huang , Youming Yang , Ke Sheng

Background The cost of drug discovery and development is substantial, with clinical trial outcomes playing a critical role in regulatory approval and patient care. However, access to large-scale, high-quality clinical trial outcome data…

Artificial Intelligence · Computer Science 2025-03-07 Chufan Gao , Jathurshan Pradeepkumar , Trisha Das , Shivashankar Thati , Jimeng Sun

Combination therapies are often needed for effective clinical outcomes in the management of complex diseases, but presently they are generally based on empirical clinical experience. Here we suggest a novel application of search algorithms,…