Class overlap handling methods in imbalanced domain: A comprehensive survey

A Kumar, D Singh, R Shankar Yadav - Multimedia Tools and Applications, 2024 - Springer
Class overlap in imbalanced datasets is the most common challenging situation for
researchers in the fields of deep learning (DL) machine learning (ML), and big data (BD) …

[HTML][HTML] GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis

E Vitali, F Ficarelli, M Bisson, D Gadioli… - Journal of Parallel and …, 2024 - Elsevier
Finding a novel drug is a very long and complex procedure. Using computer simulations, it is
possible to accelerate the preliminary phases by performing a virtual screening that filters a …

Proteome-scale deployment of protein structure prediction workflows on the Summit supercomputer

M Gao, M Coletti, RB Davidson, R Prout… - 2022 IEEE …, 2022 - ieeexplore.ieee.org
Deep learning has contributed to major advances in the prediction of protein structure from
sequence, a fundamental problem in structural bioinformatics. With predictions now …

Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?

M Thavappiragasam, W Elwasif… - 2022 22nd IEEE …, 2022 - ieeexplore.ieee.org
High-throughput structure-based screening of drug-like molecules has become a common
tool in biomedical research. Recently, acceleration with graphics processing units (GPUs) …

GPU Cloud Architectures for Bioinformatic Applications

A Maciá-Lillo, T Ramírez, H Mora… - … Work-Conference on …, 2023 - Springer
The world of computing is constantly evolving. The trends that are shaping today's
applications are Cloud computing and GPU computing. These technologies allow bringing …

ECP Software Technology Capability Assessment Report V3. 0

MA Heroux, LC McInnes, R Thakur, JS Vetter, XS Li… - 2022 - osti.gov
The Exascale Computing Project (ECP) Software Technology (ST) focus area is responsible
for (1) developing critical software capabilities that will enable the successful execution of …

OpenMP's Asynchronous Offloading for All-pairs Shortest Path Graph Algorithms on GPUs

M Thavappiragasam, V Kale - 2022 IEEE/ACM International …, 2022 - ieeexplore.ieee.org
Numerical scientific computations, which are based on floating-point operations, have been
sped up greatly via GPUs or other accelerators of supercomputers. However, combinatorial …