55 citations · 85 across the 19 of their papers we have counts for
21 papers
RHAPSODY: Execution of Hybrid AI-HPC Workflows at Scale
Aymen Alsaadi, Mason Hooten, Mariya Goliyad +14
Hybrid AI-HPC workflows combine large-scale simulation, training, high-throughput inference, and tightly coupled, agent-driven control within a single execution campaign. These wor…
Adaptive Protein Design Protocols and Middleware
Aymen Alsaadi, Jonathan Ash, Mikhail Titov +4
Computational protein design is experiencing a transformation driven by AI/ML. However, the range of potential protein sequences and structures is astronomically vast, even for mod…
Integrating and Characterizing HPC Task Runtime Systems for hybrid AI-HPC workloads
Andre Merzky, Mikhail Titov, Matteo Turilli +1
Scientific workflows increasingly involve both HPC and machine-learning tasks, combining MPI-based simulations, training, and inference in a single execution. Launchers such as Slu…
Scalable Runtime Architecture for Data-driven, Hybrid HPC and ML Workflow Applications
Andre Merzky, Mikhail Titov, Matteo Turilli +3
Hybrid workflows combining traditional HPC and novel ML methodologies are transforming scientific computing. This paper presents the architecture and implementation of a scalable r…
Deep RC: A Scalable Data Engineering and Deep Learning Pipeline
Arup Kumar Sarker, Aymen Alsaadi, Alexander James Halpern +7
Significant obstacles exist in scientific domains including genetics, climate modeling, and astronomy due to the management, preprocess, and training on complicated data for deep l…
Exascale Workflow Applications and Middleware: An ExaWorks Retrospective
Aymen Alsaadi, Mihael Hategan-Marandiuc, Ketan Maheshwari +9
Exascale computers offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific discover…
Workflows Community Summit 2024: Future Trends and Challenges in Scientific Workflows
Rafael Ferreira da Silva, Deborah Bard, Kyle Chard +108
The Workflows Community Summit gathered 111 participants from 18 countries to discuss emerging trends and challenges in scientific workflows, focusing on six key areas: time-sensit…
ExaWorks Software Development Kit: A Robust and Scalable Collection of Interoperable Workflow Technologies
Matteo Turilli, Mihael Hategan-Marandiuc, Mikhail Titov +13
Scientific discovery increasingly requires executing heterogeneous scientific workflows on high-performance computing (HPC) platforms. Heterogeneous workflows contain different typ…
Scaling on Frontier: Uncertainty Quantification Workflow Applications using ExaWorks to Enable Full System Utilization
Mikhail Titov, Robert Carson, Matthew Rolchigo +6
When running at scale, modern scientific workflows require middleware to handle allocated resources, distribute computing payloads and guarantee a resilient execution. While indivi…
Design and Implementation of an Analysis Pipeline for Heterogeneous Data
Arup Kumar Sarker, Aymen Alsaadi, Niranda Perera +8
Managing and preparing complex data for deep learning, a prevalent approach in large-scale data science can be challenging. Data transfer for model training also presents difficult…
Workflow Mini-Apps: Portable, Scalable, Tunable & Faithful Representations of Scientific Workflows
Ozgur Ozan Kilic, Tianle Wang, Matteo Turilli +4
Workflows are critical for scientific discovery. However, the sophistication, heterogeneity, and scale of workflows make building, testing, and optimizing them increasingly challen…
The Common Workflow Scheduler Interface: Status Quo and Future Plans
Fabian Lehmann, Jonathan Bader, Lauritz Thamsen +1
Nowadays, many scientific workflows from different domains, such as Remote Sensing, Astronomy, and Bioinformatics, are executed on large computing infrastructures managed by resour…
Workflows Community Summit 2022: A Roadmap Revolution
Rafael Ferreira da Silva, Rosa M. Badia, Venkat Bala +102
Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex s…
The Ghost of Performance Reproducibility Past
Srinivasan Ramesh, Mikhail Titov, Matteo Turilli +2
The importance of ensemble computing is well established. However, executing ensembles at scale introduces interesting performance fluctuations that have not been well investigated…
ExaWorks: Workflows for Exascale
Aymen Al-Saadi, Dong H. Ahn, Yadu Babuji +12
Exascale computers will offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific dis…
Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers
Agastya P. Bhati, Shunzhou Wan, Dario Alfè +26
The race to meet the challenges of the global pandemic has served as a reminder that the existing drug discovery process is expensive, inefficient and slow. There is a major bottle…
Design and Performance Characterization of RADICAL-Pilot on Leadership-class Platforms
Andre Merzky, Matteo Turilli, Mikhail Titov +2
Many extreme scale scientific applications have workloads comprised of a large number of individual high-performance tasks. The Pilot abstraction decouples workload specification,…
Scalable HPC and AI Infrastructure for COVID-19 Therapeutics
Hyungro Lee, Andre Merzky, Li Tan +15
COVID-19 has claimed more 1 million lives and resulted in over 40 million infections. There is an urgent need to identify drugs that can inhibit SARS-CoV-2. In response, the DOE re…
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads
Aymen Al Saadi, Dario Alfe, Yadu Babuji +33
The drug discovery process currently employed in the pharmaceutical industry typically requires about 10 years and $2-3 billion to deliver one new drug. This is both too expensive…
Korshunov instantons out of equilibrium
M. Titov, D. B. Gutman
Zero-dimensional dissipative action possesses non-trivial minima known as Korshunov instantons. They have been known so far only for imaginary time representation that is limited t…
Fokker-Planck equations and density of states in disordered quantum wires
M. Titov, P. W. Brouwer, A. Furusaki +1
We propose a general scheme to construct scaling equations for the density of states in disordered quantum wires for all ten pure Cartan symmetry classes. The anomalous behavior of…