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Cyclic peptides offer inherent advantages in pharmaceuticals. For example, cyclic peptides are more resistant to enzymatic hydrolysis compared to linear peptides and usually exhibit excellent stability and affinity. Although deep generative…

Machine Learning · Computer Science 2025-05-28 Xiangxin Zhou , Mingyu Li , Yi Xiao , Jiahan Li , Dongyu Xue , Zaixiang Zheng , Jianzhu Ma , Quanquan Gu

An important task in drug development is to identify patients, which respond better or worse to an experimental treatment. Identifying predictive covariates, which influence the treatment effect and can be used to define subgroups of…

Methodology · Statistics 2018-11-27 Marius Thomas , Björn Bornkamp , Katja Ickstadt

Breakthroughs in cancer biology have defined new research programs emphasizing the development of therapies that target specific pathways in tumor cells. Innovations in clinical trial design have followed with master protocols defined by…

Methodology · Statistics 2020-07-09 Alexander M. Kaizer , Joseph S. Koopmeiners , Nan Chen , Brian P. Hobbs

This paper introduces a non-parametric estimation algorithm designed to effectively estimate the joint distribution of model parameters with application to population pharmacokinetics. Our research group has previously developed the…

We study optimal design problems where the design corresponds to a coefficient in the principal part of the state equation. The state equation, in addition, is parameter dependent, and we allow it to change type in the limit of this…

Optimization and Control · Mathematics 2024-12-09 Tadele Mengesha , Abner J. Salgado , Joshua M. Siktar

To effect behavior change a successful algorithm must make high-quality decisions in real-time. For example, a mobile health (mHealth) application designed to increase physical activity must make contextually relevant suggestions to…

Machine Learning · Statistics 2020-03-31 Marianne Menictas , Sabina Tomkins , Susan A Murphy

Background/Aims: The increasing expense of the drug development process has seen interest in the use of adaptive designs (ADs) grow substantially in recent years. Accordingly, much research has been conducted to identify potential barriers…

Computation · Statistics 2019-06-14 Michael J Grayling , Graham M Wheeler

Recent advances in incorporating neural networks into particle filters provide the desired flexibility to apply particle filters in large-scale real-world applications. The dynamic and measurement models in this framework are learnable…

Machine Learning · Computer Science 2021-03-30 Hao Wen , Xiongjie Chen , Georgios Papagiannis , Conghui Hu , Yunpeng Li

Generating peptides with desired properties is crucial for drug discovery and biotechnology. Traditional sequence-based and structure-based methods often require extensive datasets, which limits their effectiveness. In this study, we…

Quantitative Methods · Quantitative Biology 2024-08-19 Po-Yu Liang , Xueting Huang , Tibo Duran , Andrew J. Wiemer , Jun Bai

In parametric Bayesian designs of early phase cancer clinical trials with drug combinations exploring a discrete set of partially ordered doses, several authors claimed that there is no added value in including an interaction term to model…

Methodology · Statistics 2022-08-12 Mourad Tighiouart , José L. Jiménez , Marcio A. Diniz , André Rogatko

This work is motivated by learning the individualized minimal clinically important difference, a vital concept to assess clinical importance in various biomedical studies. We formulate the scientific question into a high-dimensional…

Methodology · Statistics 2023-03-28 Huijie Feng , Jingyi Duan , Yang Ning , Jiwei Zhao

Computer-aided design for synthetic biology promises to accelerate the rational and robust engineering of biological systems; it requires both detailed and quantitative mathematical and experimental models of the processes to (re)design,…

Phase I dose-finding trials are increasingly challenging as the relationship between efficacy and toxicity of new compounds (or combination of them) becomes more complex. Despite this, most commonly used methods in practice focus on…

Machine Learning · Computer Science 2020-06-16 Cong Shen , Zhiyang Wang , Sofia S. Villar , Mihaela van der Schaar

Embedded systems interaction with environment inherently complicates understanding of requirements and their correct implementation. However, product uncertainty is highest during early stages of development. Design verification is an…

Software Engineering · Computer Science 2011-12-20 Hara Gopal Mani Pakala , Dr. Plh Varaprasad , Dr. Raju Kvsvn , Dr. Ibrahim Khan

Medical image segmentation data inherently contain uncertainty. This can stem from both imperfect image quality and variability in labeling preferences on ambiguous pixels, which depend on annotator expertise and the clinical context of the…

Image and Video Processing · Electrical Eng. & Systems 2025-07-17 Jiayuan Zhu , Junde Wu , Cheng Ouyang , Konstantinos Kamnitsas , J. Alison Noble

The analysis of multiple time-to-event outcomes in a randomised controlled clinical trial can be accomplished with exisiting methods. However, depending on the characteristics of the disease under investigation and the circumstances in…

Methodology · Statistics 2026-03-02 Moritz Fabian Danzer , Andreas Faldum , Thorsten Simon , Barbara Hero , Rene Schmidt

Equivalence testing, a fundamental problem in the field of distribution testing, seeks to infer if two unknown distributions on $[n]$ are the same or far apart in the total variation distance. Conditional sampling has emerged as a powerful…

Data Structures and Algorithms · Computer Science 2024-03-08 Diptarka Chakraborty , Sourav Chakraborty , Gunjan Kumar , Kuldeep S. Meel

In learning-phase clinical trials in drug development, adaptive designs can be efficient and highly informative when used appropriately. In this article, we extend the multiple comparison procedures with modeling techniques (MCP-Mod)…

Methodology · Statistics 2021-08-02 Shiyang Ma , Michael P. McDermott

Dynamic positron emission tomography imaging (dPET) provides temporally resolved images of a tracer enabling a quantitative measure of physiological processes. Voxel-wise physiologically-based pharmacokinetic (PBPK) modeling of the time…

Image and Video Processing · Electrical Eng. & Systems 2023-05-19 Francesca De Benetti , Walter Simson , Magdalini Paschali , Hasan Sari , Axel Romiger , Kuangyu Shi , Nassir Navab , Thomas Wendler