Related papers: Possible Contexts of Use for In Silico trials meth…
We are interested in in silico evaluation methodology for molecular optimization methods. Given a sample of molecules and their properties of our interest, we wish not only to train an agent that can find molecules optimized with respect to…
Simulation models often have parameters as input and return outputs to understand the behavior of complex systems. Calibration is the process of estimating the values of the parameters in a simulation model in light of observed data from…
In early clinical test evaluations the potential benefits of the introduction of a new technology into the healthcare system are assessed in the challenging situation of limited available empirical data. The aim of these evaluations is to…
Clinical language processing has received a lot of attention in recent years, resulting in new models or methods for disease phenotyping, mortality prediction, and other tasks. Unfortunately, many of these approaches are tested under…
We describe software and a language for quasibiological computations. Its theoretical basis is a unified theory of complex (adaptive) systems where all laws are regularities of relations between things or agents, and dynamics is made from…
The integration of bioinformatics predictions and experimental validation plays a pivotal role in advancing biological research, from understanding molecular mechanisms to developing therapeutic strategies. Bioinformatics tools and methods…
Co-simulation is a promising approach for the modelling and simulation of complex systems, that makes use of mature simulation tools in the respective domains. It has been applied in wildly different domains, oftentimes without a…
In response to the COVID-19 pandemic and the potential threat of future epidemics caused by novel viruses, we developed a flexible framework for modeling disease intervention effects. This tool is intended to aid decision makers at multiple…
This study proposes a simple and practical approach based on in-vitro measurements and in-silico simulation using the likelihood-free Bayesian inference with the finite element method simultaneously for stochastic calibration and…
A major challenge in testing software product lines is efficiency. In particular, testing a product line should take less effort than testing each and every product individually. We address this issue in the context of input-output…
Decades of hardware, methodological, and algorithmic development have propelled molecular dynamics (MD) simulations to the forefront of materials-modeling techniques, bridging the gap between electronic-structure theory and continuum…
Solving problems through tool use under explicit constraints constitutes a highly challenging yet unavoidable scenario for large language models (LLMs), requiring capabilities such as function calling, instruction following, and…
Concolic testing is a popular software verification technique based on a combination of concrete and symbolic execution. Its main focus is finding bugs and generating test cases with the aim of maximizing code coverage. A previous approach…
Concolic testing is a popular dynamic validation technique that can be used for both model checking and automatic test case generation. We have recently introduced concolic testing in the context of logic programming. In contrast to…
Process simulation is gaining attention for its ability to assess potential performance improvements and risks associated with business process changes. The existing literature presents various techniques, generally grounded in process…
Context: Software testing plays an essential role in product quality improvement. For this reason, several software testing models have been developed to support organizations. However, adoption of testing process models inside…
The use of computer simulations to study the properties of aqueous systems is, today more than ever, an active area of research. In this context, during the last decade there has been a tremendous growth in the use of data-driven approaches…
Externally controlled trials (ECTs) are increasingly used when randomized controls are infeasible, unethical, or insufficient, including applications in rare diseases, oncology, pediatrics, and post-approval effectiveness research. Although…
Clinical trials are pivotal in the drug discovery process to determine the safety and efficacy of a drug candidate. The high failure rates of these trials are attributed to deficiencies in clinical model development and protocol design.…
It is essential to find new ways of enabling experts in different disciplines to collaborate more efficient in the development of ever more complex systems, under increasing market pressures. One possible solution for this challenge is to…