Ada Sedova

23 papers B 1Journal 10Unranked 12
YearRankTypeTitle / Venue / Authors
2025 — conf
Robustness of Deep Learning Classification to Adversarial Input on GPUs: Asynchronous Parallel Accumulation Is a Source of Vulnerability.
Euro-Par (2)
Sanjif Shanmugavelu, Mathieu Taillefumier, Christopher Culver, Vijay Ganesh, Oscar R. Hernandez, Ada Sedova
2025 J jnl
Robustness of deep learning classification to adversarial input on GPUs: asynchronous parallel accumulation is a source of vulnerability.
CoRR
Sanjif Shanmugavelu, Mathieu Taillefumier, Christopher Culver, Vijay Ganesh, Oscar R. Hernandez, Ada Sedova
2024 — conf
Impacts of floating-point non-associativity on reproducibility for HPC and deep learning applications.
SC Workshops
Sanjif Shanmugavelu, Mathieu Taillefumier, Christopher Culver, Oscar R. Hernandez, Mark Coletti, Ada Sedova
2024 J jnl
Impacts of floating-point non-associativity on reproducibility for HPC and deep learning applications.
CoRR
Sanjif Shanmugavelu, Mathieu Taillefumier, Christopher Culver, Oscar R. Hernandez, Mark Coletti, Ada Sedova
2023 — conf
Multiobjective Hyperparameter Optimization for Deep Learning Interatomic Potential Training Using NSGA-II.
ICPP Workshops
Mark Coletti, Ada Sedova, Rajni Chahal, Luke Gibson, Santanu Roy, Vyacheslav Bryantsev
2023 J jnl
Predicted structural proteome of
Bioinform.
Russell B. Davidson, Mark Coletti, Mu Gao, Bryan Piatkowski, Avinash Sreedasyam, Farhan Quadir, David J. Weston, Jeremy Schmutz, Jianlin Cheng, Jeffrey Skolnick, Jerry M. Parks, Ada Sedova
2023 J jnl
tinyIFD: A High-Throughput Binding Pose Refinement Workflow Through Induced-Fit Ligand Docking.
J. Chem. Inf. Model.
Darren J. Hsu, Russell B. Davidson, Ada Sedova, Jens Glaser
2022 J jnl
OpenMDlr: parallel, open-source tools for general protein structure modeling and refinement from pairwise distances.
Bioinform.
Russell B. Davidson, Jess Woods, T. Chad Effler, Mathialakan Thavappiragasam, Julie C. Mitchell, Jerry M. Parks, Ada Sedova
2022 B conf
Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?
CCGRID
Mathialakan Thavappiragasam, Wael R. Elwasif, Ada Sedova
2022 J jnl
Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?
CoRR
Mathialakan Thavappiragasam, Wael R. Elwasif, Ada Sedova
2022 — conf
Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer.
IPDPS Workshops
Mu Gao, Mark Coletti, Russell B. Davidson, Ryan Prout, Subil Abraham, Benjamín Hernández, Ada Sedova
2021 — conf
Addressing Load Imbalance in Bioinformatics and Biomedical Applications: Efficient Scheduling across Multiple GPUs.
BIBM
Mathialakan Thavappiragasam, Vivek Kale, Oscar R. Hernandez, Ada Sedova
2021 J jnl
DIPS-Plus: The Enhanced Database of Interacting Protein Structures for Interface Prediction.
CoRR
Alex Morehead, Chen Chen, Ada Sedova, Jianlin Cheng
2021 — conf
High-Performance Deep Learning Toolbox for Genome-Scale Prediction of Protein Structure and Function.
MLHPC@SC
Mu Gao, Peik Lund-Andersen, Alex Morehead, Sajid Mahmud, Chen Chen, Xiao Chen, Nabin Giri, Raj S. Roy, Farhan Quadir, T. Chad Effler, Ryan Prout, Subil Abraham, Wael R. Elwasif, Nicholas Quentin Haas, Jeffrey Skolnick, Jianlin Cheng, Ada Sedova
2021 J jnl
High-throughput virtual laboratory for drug discovery using massive datasets.
Int. J. High Perform. Comput. Appl.
Jens Glaser, Josh Vincent Vermaas, David M. Rogers, Jeff Larkin, Scott LeGrand, Swen Boehm, Matthew B. Baker, Aaron Scheinberg, Andreas F. Tillack, Mathialakan Thavappiragasam, Ada Sedova, Oscar R. Hernandez
2021 — conf
Modeling protein structures from predicted contacts with modern molecular dynamics potentials: accuracy, sensitivity, and refinement.
BCB
Russell B. Davidson, Mathialakan Thavappiragasam, T. Chad Effler, Jess Woods, Dwayne A. Elias, Jerry M. Parks, Ada Sedova
2021 J jnl
Supercomputing Pipelines Search for Therapeutics Against COVID-19.
Comput. Sci. Eng.
Josh Vincent Vermaas, Ada Sedova, Matthew B. Baker, Swen Boehm, David M. Rogers, Jeff Larkin, Jens Glaser, Micholas Dean Smith, Oscar R. Hernandez, Jeremy C. Smith
2020 — conf
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research.
BCB
Scott LeGrand, Aaron Scheinberg, Andreas F. Tillack, Mathialakan Thavappiragasam, Josh Vincent Vermaas, Rupesh Agarwal, Jeff Larkin, Duncan Poole, Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli, Oscar R. Hernandez, Jeremy C. Smith, Ada Sedova
2020 — conf
Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms.
P3HPC@SC
Mathialakan Thavappiragasam, Aaron Scheinberg, Wael R. Elwasif, Oscar R. Hernandez, Ada Sedova
2020 J jnl
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19.
J. Chem. Inf. Model.
Atanu Acharya, Rupesh Agarwal, Matthew B. Baker, Jérôme Baudry, Debsindhu Bhowmik, Swen Böhm, Kendall G. Byler, Sam Yen-Chi Chen, Leighton Coates, Connor J. Cooper, Omar Demerdash, Isabella Daidone, John D. Eblen, Sally R. Ellingson, Stefano Forli, Jens Glaser, James C. Gumbart, John Gunnels, Oscar R. Hernandez, Stephan Irle, Daniel W. Kneller, Andrey Kovalevsky, Jeffrey M. Larkin, Travis J. Lawrence, Scott LeGrand, Shih-Hsien Liu, Julie C. Mitchell, Gilchan Park, Jerry M. Parks, Anna Pavlova, Loukas Petridis, Duncan Poole, Line Pouchard, Arvind Ramanathan, David M. Rogers, Diogo Santos-Martins, Aaron Scheinberg, Ada Sedova, Yue Shen, Jeremy C. Smith, Micholas Dean Smith, Carlos Soto, Aristides Tsaris, Mathialakan Thavappiragasam, Andreas F. Tillack, Josh Vincent Vermaas, Van Quan Vuong, Junqi Yin, Shinjae Yoo, Mai Zahran, Laura Zanetti Polzi
2019 — conf
Highly Interactive, Steered Scientific Workflows on HPC Systems: Optimizing Design Solutions.
ISC Workshops
John R. Ossyra, Ada Sedova, Matthew B. Baker, Jeremy C. Smith
2019 — conf
Porting Adaptive Ensemble Molecular Dynamics Workflows to the Summit Supercomputer.
ISC Workshops
John R. Ossyra, Ada Sedova, Arnold N. Tharrington, Frank Noé, Cecilia Clementi, Jeremy C. Smith
2018 — conf
Using Compiler Directives for Performance Portability in Scientific Computing: Kernels from Molecular Simulation.
WACCPD@SC
Ada Sedova, Andreas F. Tillack, Arnold N. Tharrington