[HTML][HTML] A survey of domains in workflow scheduling in computing infrastructures: Community and keyword analysis, emerging trends, and taxonomies

L Versluis, A Iosup - Future generation computer systems, 2021 - Elsevier
Workflows are prevalent in today's computing infrastructures as they support many domains.
Different Quality of Service (QoS) requirements of both users and providers makes workflow …

The confluence of machine learning and multiscale simulations

H Bhatia, F Aydin, TS Carpenter, FC Lightstone… - Current Opinion in …, 2023 - Elsevier
Multiscale modeling has a long history of use in structural biology, as computational
biologists strive to overcome the time-and length-scale limits of atomistic molecular …

A community roadmap for scientific workflows research and development

RF Da Silva, H Casanova, K Chard… - … IEEE Workshop on …, 2021 - ieeexplore.ieee.org
The landscape of workflow systems for scientific applications is notoriously convoluted with
hundreds of seemingly equivalent workflow systems, many isolated research claims, and a …

Secure blockchain assisted Internet of Medical Things architecture for data fusion enabled cancer workflow

A Lakhan, MA Mohammed, KH Abdulkareem… - Internet of Things, 2023 - Elsevier
In today's digital healthcare landscape, numerous clinical institutions collaborate to enhance
healthcare quality in a ubiquitous fog and cloud environment. Data fusion plays a vital role in …

Generalizable coordination of large multiscale workflows: challenges and learnings at scale

H Bhatia, F Di Natale, JY Moon, X Zhang… - Proceedings of the …, 2021 - dl.acm.org
The advancement of machine learning techniques and the heterogeneous architectures of
most current supercomputers are propelling the demand for large multiscale simulations that …

On the importance of configuration search to the predictivity of lanthanide selectivity

TJ Summers, MG Taylor, LJ Augustine, J Janssen… - JACS Au, 2024 - ACS Publications
The lanthanide elements are crucial components in numerous technologies, yet their
industrial production through liquid–liquid extraction continues to be economically and …

How workflow engines should talk to resource managers: A proposal for a common workflow scheduling interface

F Lehmann, J Bader, F Tschirpke… - 2023 IEEE/ACM …, 2023 - ieeexplore.ieee.org
Scientific workflow management systems (SWMSs) and resource managers together ensure
that tasks are scheduled on provisioned resources so that all dependencies are obeyed …

Perspective: New directions in dynamical density functional theory

M Te Vrugt, R Wittkowski - Journal of Physics: Condensed Matter, 2022 - iopscience.iop.org
Classical dynamical density functional theory (DDFT) has become one of the central
modeling approaches in nonequilibrium soft matter physics. Recent years have seen the …

High Throughput Training of Deep Surrogates from Large Ensemble Runs

LT Meyer, M Schouler, RA Caulk, A Ribés… - Proceedings of the …, 2023 - dl.acm.org
Recent years have seen a surge in deep learning approaches to accelerate numerical
solvers, which provide faithful but computationally intensive simulations of the physical …

Transfer learning as a tool for reducing simulation bias: application to inertial confinement fusion

B Kustowski, JA Gaffney, BK Spears… - … on Plasma Science, 2019 - ieeexplore.ieee.org
We adopt a technique, known in the machine learning community as transfer learning, to
reduce the bias of computer simulation using very sparse experimental data. Unlike the …