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Current clinical decision support systems (CDSSs) typically base their predictions on correlation, not causation. In recent years, causal machine learning (ML) has emerged as a promising way to improve decision-making with CDSSs by offering…

Human-Computer Interaction · Computer Science 2026-04-17 Domenique Zipperling , Lukas Schmidt , Benedikt Hahn , Niklas Kühl , Steven Kimbrough

The purpose of a phase I dose-finding clinical trial is to investigate the toxicity profiles of various doses for a new drug and identify the maximum tolerated dose. Over the past three decades, various dose-finding designs have been…

Methodology · Statistics 2021-11-25 Yunshan Duan , Shijie Yuan , Yuan Ji , Peter Mueller

Personalized medicine remains a major challenge for scientists. The rapid growth of Machine learning and Deep learning has made them a feasible al- ternative for predicting the most appropriate therapy for individual patients. However, the…

Machine Learning · Computer Science 2025-06-10 Antonio Jesús Banegas-Luna , Horacio Pérez-Sánchez

Interim analyses for group-sequential decision making are prevalent in clinical trials. Methodology is well established and has been routinely implemented over the last decades. Still, confusions and uncertainties on aspects of how to…

The sheer number of research outputs published every year makes systematic reviewing increasingly time- and resource-intensive. This paper explores the use of machine learning techniques to help navigate the systematic review process. ML…

Simulation has become, in many application areas, a sine-qua-non. Most recently, COVID-19 has underlined the importance of simulation studies and limitations in current practices and methods. We identify four goals of methodological work…

Background: Drug development is often inefficient, costly and lengthy, yet it is essential for evaluating the safety and efficacy of new interventions. Compared with other disease areas, this is particularly true for Phase II / III cancer…

Methodology · Statistics 2024-05-13 Abigail Burdon , Thomas Jaki , Xijin Chen , Pavel Mozgunov , Haiyan Zheng , Richard Baird

Usability is often defined as the ability of a system to carry out specific tasks by specific users in a specific context. Usability evaluation involves testing the system for its expected usability. Usability testing is performed in…

Human-Computer Interaction · Computer Science 2012-04-11 Munesh Chandra Trivedi , Mohammadi Akheela Khanum

We advocate here the use of computational logic for systems biology, as a \emph{unified and safe} framework well suited for both modeling the dynamic behaviour of biological systems, expressing properties of them, and verifying these…

Quantitative Methods · Quantitative Biology 2020-10-07 Elisabetta de Maria , Joelle Despeyroux , Amy Felty , Pietro Liò , Carlos Olarte , Abdorrahim Bahrami

Assessing the validity of user simulators when used for the evaluation of information retrieval systems remains an open question, constraining their effective use and the reliability of simulation-based results. To address this issue, we…

Information Retrieval · Computer Science 2026-01-19 Andreas Konstantin Kruff , Nolwenn Bernard , Philipp Schaer

From simulating galaxy formation to viral transmission in a pandemic, scientific models play a pivotal role in developing scientific theories and supporting government policy decisions that affect us all. Given these critical applications,…

Software Engineering · Computer Science 2023-07-03 Andrew G. Clark , Michael Foster , Benedikt Prifling , Neil Walkinshaw , Robert M. Hierons , Volker Schmidt , Robert D. Turner

The article introduces a concept for a time- and cost-effective methodological framework leveraging machine learning (ML) models for both early-stage drug development and clinical trial support. The rationale for this approach is the…

Quantitative Methods · Quantitative Biology 2025-12-04 Mariya L. Ivanova , Michael Nicholls , Nicola Russo , Gueorgui Mihaylov , Konstantin Nikolic

Compositionality supports the manipulation of large systems by working on their components. For model-based testing, this means that large systems can be tested by modelling and testing their components: passing tests for all components…

Software Engineering · Computer Science 2025-08-01 Gijs van Cuyck , Lars van Arragon , Jan Tretmans

Classification tasks are widely investigated in the In-Context Learning (ICL) paradigm. However, current efforts are evaluated on disjoint benchmarks and settings, while their performances are significantly influenced by some trivial…

Computation and Language · Computer Science 2025-04-21 Hakaze Cho , Naoya Inoue

Understanding the behaviour of biological systems requires a complex setting of in vitro and in vivo experiments, which attracts high costs in terms of time and resources. The use of mathematical models allows researchers to perform…

Computational Engineering, Finance, and Science · Computer Science 2009-11-30 Thomas Anung Basuki , Antonio Cerone , Rafael V. Carvalho

Artificial RNA molecules with novel functionality have many applications in synthetic biology, pharmacy and white biotechnology. The de novo design of such devices using computational methods and prediction tools is a resource-efficient…

Biomolecules · Quantitative Biology 2019-05-13 Stefan Hammer , Christian Günzel , Mario Mörl , Sven Findeiß

Background: Classifications in meta-research enable researchers to cope with an increasing body of scientific knowledge. They provide a framework for, e.g., distinguishing methods, reports, reproducibility, and evaluation in a knowledge…

Software Engineering · Computer Science 2022-09-22 Angelika Kaplan , Thomas Kühn , Ralf Reussner

As any scientific discipline, the software engineering (SE) research community strives to contribute to the betterment of the target population of our research: software producers and consumers. We will only achieve this betterment if we…

Software Engineering · Computer Science 2025-11-20 Julian Frattini , Hans-Martin Heyn , Robert Feldt , Richard Torkar

There is a growing demand for the use of Artificial Intelligence (AI) and Machine Learning (ML) in healthcare, particularly as clinical decision support systems to assist medical professionals. However, the complexity of many of these…

Human-Computer Interaction · Computer Science 2025-05-13 Dima Alattal , Asal Khoshravan Azar , Puja Myles , Richard Branson , Hatim Abdulhussein , Allan Tucker

The goal of inverse (quantum) approaches is to devise methods and approaches capable of efficiently searching chemical space in such a way that the design of novel materials and compounds with specific properties is as direct and efficient…

Chemical Physics · Physics 2022-08-30 Thomas Weymuth , Markus Reiher