Related papers: BioDiVinE: A Framework for Parallel Analysis of Bi…
In recent years, a few multiple-resolution modelling strategies have been proposed, in which functionally relevant parts of a biomolecule are described with atomistic resolution, while the remainder of the system is concurrently treated…
Much contemporary research in additive manufacturing focuses on breaking down models into constituent parts in the pursuit of various factors, such as printability of large models in smaller printing volumes, or reduction of support…
Biomedical data harmonization is essential for enabling exploratory analyses and meta-studies, but the process of schema matching - identifying semantic correspondences between elements of disparate datasets (schemas) - remains a…
The paper has two goals: It presents basic ideas, notions, and methods for reduction of reaction kinetics models: quasi-steady-state, quasi-equilibrium, slow invariant manifolds, and limiting steps. It describes briefly the current state of…
Parallel finite element algorithms based on object-oriented concepts are presented. Moreover, the design and implementation of a data structure proposed are utilized in realizing a parallel geometric multigrid method. The ParFEMapper and…
Violations of the parallel trends assumption pose significant challenges for causal inference in difference-in-differences (DiD) studies, especially in policy evaluations where pre-treatment dynamics and external shocks may bias estimates.…
In this paper, we present a technique for balancing predictive relevance models related to supervised modelling ligand biochemical activities to biological targets. We train uncalibrated models employing conventional supervised machine…
Model discovery aims to uncover governing differential equations of dynamical systems directly from experimental data. Benchmarking such methods is essential for tracking progress and understanding trade-offs in the field. While prior…
When modeling longitudinal biomedical data, often dimensionality reduction as well as dynamic modeling in the resulting latent representation is needed. This can be achieved by artificial neural networks for dimension reduction, and…
Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increasingly relies on computational scale, with recent protein…
Predictive simulations and experimental design involving extreme aero-chemo-thermo-mechanical regimes require high-fidelity material representation across diverse physical states. However, data for metals, polymers, and propellants,…
Recruiters can easily shortlist candidates for jobs via viewing their curriculum vitae (CV) document. Unstructured document CV beholds candidate's portfolio and named entities listing details. The main aim of this study is to design and…
While machine learning offers diverse techniques suitable for exploring various medical research questions, a cohesive synergistic framework can facilitate the integration and understanding of new approaches within unified model development…
There is some literature on the application of linear boundary element method (BEM) for real-time simulation of biological organs. However, literature is scant when it comes to the application of nonlinear BEM, although there is a…
Understanding and controlling diffusion processes in complex networks is critical across domains ranging from epidemiology to information science. Here, we present ExDiff, an interactive and modular computational framework that integrates…
Survival analysis stands as a pivotal process in cancer treatment research, crucial for predicting patient survival rates accurately. Recent advancements in data collection techniques have paved the way for enhancing survival predictions by…
This work introduces an innovative parallel, fully-distributed finite element framework for growing geometries and its application to metal additive manufacturing. It is well-known that virtual part design and qualification in additive…
Simflowny is an open platform which automatically generates parallel code of scientific dynamical models for different simulation frameworks. Here we present major upgrades on this software to support an extended set of families of models,…
Optimizing molecular properties while preserving biological activity is a central challenge in drug design. Bioisosteric replacement, which substitutes a molecular fragment with a chemically or biologically analogous moiety, offers a…
An important task for many if not all the scientific domains is efficient knowledge integration, testing and codification. It is often solved with model construction in a controllable computational environment. In spite of that, the…