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2020 – today
- 2025
[j7]Logan T. Ward
, J. Gregory Pauloski, Valérie Hayot-Sasson, Yadu N. Babuji, Alexander Brace, Ryan Chard, Kyle Chard, Rajeev Thakur, Ian T. Foster:
Employing artificial intelligence to steer exascale workflows with colmena. Int. J. High Perform. Comput. Appl. 39(1): 52-64 (2025)- [j6]J. Gregory Pauloski, Valérie Hayot-Sasson, Logan T. Ward, Alexander Brace, André Bauer, Kyle Chard, Ian T. Foster:
Object Proxy Patterns for Accelerating Distributed Applications. IEEE Trans. Parallel Distributed Syst. 36(2): 253-265 (2025) - [i17]Xiaoli Yan, Nathaniel Hudson, Hyun Park, Daniel Grzenda, J. Gregory Pauloski, Marcus Schwarting, Haochen Pan, Hassan Harb, Sam Foreman, Chris Knight, Tom Gibbs, Kyle Chard, Santanu Chaudhuri, Emad Tajkhorshid, Ian T. Foster, Mohamad Moosavi, Logan T. Ward, Eliu A. Huerta:
MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow. CoRR abs/2501.10651 (2025) - 2024
- [j5]Andrew S. Lee, Sarah Elliott, Hassan Harb, Logan T. Ward, Ian T. Foster, Larry A. Curtiss, Rajeev S. Assary:
Emin: A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability. J. Chem. Inf. Model. 64(4): 1277-1289 (2024) - [j4]K. J. Schmidt, Aristana Scourtas, Logan T. Ward, Steve Wangen, Marcus Schwarting, Isaac Darling, Ethan Truelove, Aadit Ambadkar, Ribhav Bose, Zoa Katok, Jingrui Wei, Xiangguo Li, Ryan Jacobs, Lane Schultz, Doyeon Kim, Michael C. Ferris, Paul M. Voyles, Dane Morgan, Ian T. Foster, Ben Blaiszik:
Foundry-ML - Software and Services to Simplify Access to Machine Learning Datasets in Materials Science. J. Open Source Softw. 9(93): 5467 (2024) - [c18]Thanh Son Phung, Colin Thomas, Logan T. Ward, Kyle Chard, Douglas Thain:
Accelerating Function-Centric Applications by Discovering, Distributing, and Retaining Reusable Context in Workflow Systems. HPDC 2024: 122-134 - [c17]Gautham Dharuman, Kyle Hippe, Alexander Brace, Sam Foreman, Väinö Hatanpää, Varuni Katti Sastry, Huihuo Zheng, Logan T. Ward, Servesh Muralidharan, Archit Vasan, Bharat Kale, Carla M. Mann, Heng Ma, Yun-Hsuan Cheng, Yuliana Zamora, Shengchao Liu, Chaowei Xiao, Murali Emani, Tom Gibbs, Mahidhar Tatineni, Deepak Canchi, Jerome Mitchell, Koichi Yamada, Maria Garzaran, Michael E. Papka, Ian T. Foster, Rick Stevens, Anima Anandkumar, Venkatram Vishwanath, Arvind Ramanathan:
MProt-DPO: Breaking the ExaFLOPS Barrier for Multimodal Protein Design Workflows with Direct Preference Optimization. SC 2024: 7 - [d4]K. J. Schmidt, Aristana Scourtas, Logan T. Ward, Steve Wangen, Marcus Schwarting, Isaac Darling, Ethan Truelove, Aadit Ambadkar, Ribhav Bose, Zoa Katok, Jingrui Wei, Xiangguo Li, Ryan Jacobs, Lane Schultz, Doyeon Kim, Michael Ferris, Paul M. Voyles, Dane Morgan, Ian T. Foster, Ben Blaiszik:
Foundry-ML (latest). Zenodo, 2024
- [d3]K. J. Schmidt, Aristana Scourtas, Logan T. Ward, Steve Wangen, Marcus Schwarting, Isaac Darling, Ethan Truelove, Aadit Ambadkar, Ribhav Bose, Zoa Katok, Jingrui Wei, Xiangguo Li, Ryan Jacobs, Lane Schultz, Doyeon Kim, Michael Ferris, Paul M. Voyles, Dane Morgan, Ian T. Foster, Ben Blaiszik:
Foundry-ML - Software and Services to Simplify Access to Machine Learning Datasets in Materials Science. Version v0.5.0. Zenodo, 2024 [all versions] - [d2]K. J. Schmidt, Aristana Scourtas, Logan T. Ward, Steve Wangen, Marcus Schwarting, Isaac Darling, Ethan Truelove, Aadit Ambadkar, Ribhav Bose, Zoa Katok, Jingrui Wei, Xiangguo Li, Ryan Jacobs, Lane Schultz, Doyeon Kim, Michael Ferris, Paul M. Voyles, Dane Morgan, Ian T. Foster, Ben Blaiszik:
Foundry-ML - Software and Services to Simplify Access to Machine Learning Datasets in Materials Science. Version 2. Zenodo, 2024 [all versions] - [d1]K. J. Schmidt, Aristana Scourtas, Logan T. Ward, Steve Wangen, Marcus Schwarting, Isaac Darling, Ethan Truelove, Aadit Ambadkar, Ribhav Bose, Zoa Katok, Jingrui Wei, Xiangguo Li, Ryan Jacobs, Lane Schultz, Doyeon Kim, Michael Ferris, Paul M. Voyles, Dane Morgan, Ian T. Foster, Ben Blaiszik:
Foundry-ML - Software and Services to Simplify Access to Machine Learning Datasets in Materials Science. Version v0.7.4. Zenodo, 2024 [all versions] - [i16]Nathaniel Hudson, J. Gregory Pauloski, Matt Baughman, Alok Kamatar, Mansi Sakarvadia, Logan T. Ward, Ryan Chard, André Bauer, Maksim Levental, Wenyi Wang, Will Engler, Owen Price Skelly, Ben Blaiszik, Rick Stevens, Kyle Chard, Ian T. Foster:
Trillion Parameter AI Serving Infrastructure for Scientific Discovery: A Survey and Vision. CoRR abs/2402.03480 (2024) - [i15]J. Gregory Pauloski, Valérie Hayot-Sasson, Logan T. Ward, Alexander Brace, André Bauer, Kyle Chard, Ian T. Foster:
Object Proxy Patterns for Accelerating Distributed Applications. CoRR abs/2407.01764 (2024) - [i14]Logan T. Ward, J. Gregory Pauloski, Valérie Hayot-Sasson, Yadu N. Babuji, Alexander Brace, Ryan Chard, Kyle Chard, Rajeev Thakur, Ian T. Foster:
Employing Artificial Intelligence to Steer Exascale Workflows with Colmena. CoRR abs/2408.14434 (2024) - [i13]Rafael Ferreira da Silva, Deborah Bard, Kyle Chard, Shaun De Witt, Ian T. Foster, Tom Gibbs, Carole A. Goble, William F. Godoy, Johan Gustafsson, Utz-Uwe Haus, Stephen Hudson, Shantenu Jha, Laila Los, Drew Paine, Frédéric Suter, Logan T. Ward, Sean R. Wilkinson, Marcos Amaris, Yadu N. Babuji, Jonathan Bader, Riccardo Balin, Daniel Balouek, Sarah J. Beecroft, Khalid Belhajjame, Rajat Bhattarai, Wes Brewer, Paul Brunk, Silvina Caíno-Lores, Henri Casanova, Daniela Cassol, Jared Coleman, Tainã Coleman, Iacopo Colonnelli, Anderson Andrei Da Silva, Daniel de Oliveira, Pascal Elahi, Nour Elfaramawy, Wael R. Elwasif, Brian Etz, Thomas Fahringer, Wesley Ferreira, Rosa Filgueira, Jacob Fosso Tande, Luiz Gadelha, Andy Gallo, Daniel Garijo, Yiannis Georgiou, Philipp Gritsch, Patricia Grubel, Amal Gueroudji, Quentin Guilloteau, Carlo Hamalainen, Rolando P. Hong Enriquez, Lauren Huet, Kevin Hunter Kesling, Paula Iborra, Shiva Jahangiri, Jan Janssen, Joe Jordan, Sehrish Kanwal, Liliane N. O. Kunstmann, Fabian Lehmann, Ulf Leser, Chen Li, Peini Liu, Jakob Lüttgau, Richard Lupat, José M. Fernández, Ketan Maheshwari, Tanu Malik, Jack Marquez, Motohiko Matsuda, Doriana Medic, Somayeh Mohammadi, Alberto Mulone, John-Luke Navarro, Kin Wai Ng, Klaus Nölp, Bruno de Paula Kinoshita, Ryan Prout, Michael R. Crusoe, Sashko Ristov, Stefan A Robila, Daniel Rosendo, Billy Rowell, Jedrzej Rybicki, Hector Sanchez, Nishant Saurabh, Sumit Kumar Saurav, Tom Scogland, Dinindu Senanayake, Woong Shin, Raül Sirvent, Tyler J. Skluzacek, Barry Sly-Delgado, Stian Soiland-Reyes, Abel Souza, Renan Souza, Domenico Talia, Nathan R. Tallent:
Workflows Community Summit 2024: Future Trends and Challenges in Scientific Workflows. CoRR abs/2410.14943 (2024) - 2023
- [j3]Maxim Zvyagin, Alexander Brace, Kyle Hippe, Yuntian Deng, Bin Zhang, Cindy Orozco Bohorquez, Austin Clyde, Bharat Kale, Danilo Perez-Rivera, Heng Ma, Carla M. Mann, Michael W. Irvin, Defne G. Ozgulbas, Natalia Vassilieva, J. Gregory Pauloski, Logan T. Ward, Valérie Hayot-Sasson, Murali Emani, Sam Foreman, Zhen Xie, Diangen Lin, Maulik Shukla, Weili Nie, Josh Romero, Christian Dallago, Arash Vahdat, Chaowei Xiao, Thomas Gibbs, Ian T. Foster, James J. Davis, Michael E. Papka, Thomas S. Brettin, Rick Stevens, Anima Anandkumar, Venkatram Vishwanath, Arvind Ramanathan:
GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics. Int. J. High Perform. Comput. Appl. 37(6): 683-705 (2023) - [c16]Nathaniel Hudson, J. Gregory Pauloski, Matt Baughman, Alok Kamatar, Mansi Sakarvadia, Logan T. Ward, Ryan Chard, André Bauer, Maksim Levental, Wenyi Wang, Will Engler, Owen Price Skelly, Ben Blaiszik, Rick Stevens, Kyle Chard, Ian T. Foster:
Trillion Parameter AI Serving Infrastructure for Scientific Discovery: A Survey and Vision. BDCAT 2023: 15:1-15:10 - [c15]Logan T. Ward, J. Gregory Pauloski, Valérie Hayot-Sasson, Ryan Chard, Yadu N. Babuji, Ganesh Sivaraman, Sutanay Choudhury, Kyle Chard, Rajeev Thakur, Ian T. Foster:
Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources. IPDPS Workshops 2023: 32-41 - [c14]J. Gregory Pauloski, Valérie Hayot-Sasson, Logan T. Ward, Nathaniel Hudson, Charlie Sabino, Matt Baughman, Kyle Chard, Ian T. Foster:
Accelerating Communications in Federated Applications with Transparent Object Proxies. SC 2023: 59:1-59:15 - [c13]Aditya Dhakal, Philipp Raith, Logan T. Ward, Rolando P. Hong Enriquez, Gourav Rattihalli, Kyle Chard, Ian T. Foster, Dejan S. Milojicic:
Fine-grained accelerator partitioning for Machine Learning and Scientific Computing in Function as a Service Platform. SC Workshops 2023: 1606-1613 - [i12]Logan T. Ward, J. Gregory Pauloski, Valérie Hayot-Sasson, Ryan Chard, Yadu N. Babuji, Ganesh Sivaraman, Sutanay Choudhury, Kyle Chard, Rajeev Thakur, Ian T. Foster:
Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources. CoRR abs/2303.08803 (2023) - [i11]J. Gregory Pauloski, Valérie Hayot-Sasson, Logan T. Ward, Nathaniel Hudson, Charlie Sabino, Matt Baughman, Kyle Chard, Ian T. Foster:
Accelerating Communications in Federated Applications with Transparent Object Proxies. CoRR abs/2305.09593 (2023) - [i10]Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, Shruti Badhwar, Joshua D. Bocarsly, Andres M. Bran, Stefan Bringuier, L. Catherine Brinson, Kamal Choudhary, Defne Circi, Sam Cox, Wibe A. de Jong, Matthew L. Evans, Nicolas Gastellu, Jerome Genzling, María Victoria Gil, Ankur K. Gupta, Zhi Hong, Alishba Imran, Sabine Kruschwitz, Anne Labarre, Jakub Lála, Tao Liu, Steven Ma, Sauradeep Majumdar, Garrett W. Merz, Nicolas Moitessier, Elias Moubarak, Beatriz Mouriño, Brenden Pelkie, Michael Pieler, Mayk Caldas Ramos, Bojana Rankovic, Samuel G. Rodriques, Jacob N. Sanders, Philippe Schwaller, Marcus Schwarting, Jiale Shi, Berend Smit, Ben E. Smith, Joren Van Heck, Christoph Völker, Logan T. Ward, Sean Warren, Benjamin Weiser, Sylvester Zhang, Xiaoqi Zhang, Ghezal Ahmad Zia, Aristana Scourtas, K. J. Schmidt, Ian T. Foster, Andrew D. White, Ben Blaiszik:
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon. CoRR abs/2306.06283 (2023) - [i9]Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang, Conglong Li, Shiyang Chen, Chengming Zhang, Masahiro Tanaka, Xiaoxia Wu, Jeff Rasley, Ammar Ahmad Awan, Connor Holmes, Martin Cai, Adam Ghanem, Zhongzhu Zhou, Yuxiong He, Pete Luferenko, Divya Kumar, Jonathan A. Weyn, Ruixiong Zhang, Sylwester Klocek, Volodymyr Vragov, Mohammed AlQuraishi, Gustaf Ahdritz, Christina Floristean, Cristina Negri, Rao Kotamarthi, Venkatram Vishwanath, Arvind Ramanathan, Sam Foreman, Kyle Hippe, Troy Arcomano, Romit Maulik, Maxim Zvyagin, Alexander Brace, Bin Zhang, Cindy Orozco Bohorquez, Austin Clyde, Bharat Kale, Danilo Perez-Rivera, Heng Ma, Carla M. Mann, Michael W. Irvin, J. Gregory Pauloski, Logan T. Ward, Valérie Hayot-Sasson, Murali Emani, Zhen Xie, Diangen Lin, Maulik Shukla, Ian T. Foster, James J. Davis, Michael E. Papka, Thomas S. Brettin, Prasanna Balaprakash, Gina Tourassi, John Gounley, Heidi A. Hanson, Thomas E. Potok, Massimiliano Lupo Pasini, Kate Evans, Dan Lu, Dalton D. Lunga, Junqi Yin, Sajal Dash, Feiyi Wang, Mallikarjun Shankar, Isaac Lyngaas, Xiao Wang, Guojing Cong, Pei Zhang, Ming Fan, Siyan Liu, Adolfy Hoisie, Shinjae Yoo, Yihui Ren, William Tang, Kyle Felker, Alexey Svyatkovskiy, Hang Liu, Ashwin M. Aji, Angela Dalton, Michael J. Schulte, Karl Schulz, Yuntian Deng, Weili Nie, Josh Romero, Christian Dallago, Arash Vahdat, Chaowei Xiao, Thomas Gibbs, Anima Anandkumar, Rick Stevens:
DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies. CoRR abs/2310.04610 (2023) - [i8]Logan T. Ward, Ben Blaiszik, Cheng-Wei Lee, Troy Martin, Ian T. Foster, André Schleife:
Accelerating Electronic Stopping Power Predictions by 10 Million Times with a Combination of Time-Dependent Density Functional Theory and Machine Learning. CoRR abs/2311.00787 (2023) - 2022
- [c12]Aymen Alsaadi, Logan T. Ward, André Merzky, Kyle Chard, Ian T. Foster, Shantenu Jha, Matteo Turilli:
RADICAL-Pilot and Parsl: Executing Heterogeneous Workflows on HPC Platforms. WORKS@SC 2022: 27-34 - 2021
- [j2]Francis J. Alexander, James A. Ang, Jenna A. Bilbrey, Jan Balewski, Tiernan Casey, Ryan Chard, Jong Choi, Sutanay Choudhury, Bert J. Debusschere, Anthony M. DeGennaro, Nikoli Dryden, J. Austin Ellis, Ian T. Foster, Cristina Garcia-Cardona, Sayan Ghosh, Peter Harrington, Yunzhi Huang, Shantenu Jha, Travis Johnston, Ai Kagawa, Ramakrishnan Kannan, Neeraj Kumar, Zhengchun Liu, Naoya Maruyama, Satoshi Matsuoka, Erin McCarthy, Jamaludin Mohd-Yusof, Peter Nugent, Yosuke Oyama, Thomas Proffen, David Pugmire, Sivasankaran Rajamanickam, Vinay Ramakrishnaiah, Malachi Schram, Sudip K. Seal, Ganesh Sivaraman, Christine Sweeney, Li Tan, Rajeev Thakur, Brian Van Essen, Logan T. Ward, Paul M. Welch, Michael Wolf, Sotiris S. Xantheas, Kevin G. Yager, Shinjae Yoo, Byung-Jun Yoon:
Co-design Center for Exascale Machine Learning Technologies (ExaLearn). Int. J. High Perform. Comput. Appl. 35(6): 598-616 (2021) - [j1]Zhuozhao Li, Ryan Chard, Logan T. Ward, Kyle Chard, Tyler J. Skluzacek, Yadu N. Babuji, Anna Woodard, Steven Tuecke, Ben Blaiszik, Michael J. Franklin, Ian T. Foster:
DLHub: Simplifying publication, discovery, and use of machine learning models in science. J. Parallel Distributed Comput. 147: 64-76 (2021) - [c11]Yuliana Zamora, Logan T. Ward, Ganesh Sivaraman, Ian T. Foster, Henry Hoffmann:
Proxima: accelerating the integration of machine learning in atomistic simulations. ICS 2021: 242-253 - [c10]Logan T. Ward, Ganesh Sivaraman, J. Gregory Pauloski, Yadu N. Babuji, Ryan Chard, Naveen Dandu, Paul C. Redfern, Rajeev S. Assary, Kyle Chard, Larry A. Curtiss, Rajeev Thakur, Ian T. Foster:
Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing. MLHPC@SC 2021: 9-20 - [c9]Thanh Son Phung, Logan T. Ward, Kyle Chard, Douglas Thain:
Not All Tasks Are Created Equal: Adaptive Resource Allocation for Heterogeneous Tasks in Dynamic Workflows. WORKS 2021: 17-24 - [i7]Zhi Hong, J. Gregory Pauloski, Logan T. Ward, Kyle Chard, Ben Blaiszik, Ian T. Foster:
AI- and HPC-enabled Lead Generation for SARS-CoV-2: Models and Processes to Extract Druglike Molecules Contained in Natural Language Text. CoRR abs/2101.04617 (2021) - [i6]Logan T. Ward, Jenna A. Bilbrey, Sutanay Choudhury, Neeraj Kumar, Ganesh Sivaraman:
Benchmarking Deep Graph Generative Models for Optimizing New Drug Molecules for COVID-19. CoRR abs/2102.04977 (2021) - [i5]Jenna A. Bilbrey, Logan T. Ward, Sutanay Choudhury, Neeraj Kumar, Ganesh Sivaraman:
Evening the Score: Targeting SARS-CoV-2 Protease Inhibition in Graph Generative Models for Therapeutic Candidates. CoRR abs/2105.10489 (2021) - [i4]Logan T. Ward, Ganesh Sivaraman, J. Gregory Pauloski, Yadu N. Babuji, Ryan Chard, Naveen Dandu, Paul C. Redfern, Rajeev S. Assary, Kyle Chard, Larry A. Curtiss, Rajeev Thakur, Ian T. Foster:
Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing. CoRR abs/2110.02827 (2021) - 2020
- [i3]Sutanay Choudhury, Jenna A. Bilbrey, Logan T. Ward, Sotiris S. Xantheas, Ian T. Foster, Joseph P. Heindel, Ben Blaiszik, Marcus E. Schwarting:
HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data. CoRR abs/2012.00131 (2020)
2010 – 2019
- 2019
- [c8]Roselyne Tchoua, Aswathy Ajith, Zhi Hong, Logan T. Ward, Kyle Chard, Debra Audus, Shrayesh Patel, Juan de Pablo, Ian T. Foster:
Active Learning Yields Better Training Data for Scientific Named Entity Recognition. eScience 2019: 126-135 - [c7]Roselyne B. Tchoua, Aswathy Ajith, Zhi Hong, Logan T. Ward, Kyle Chard, Alexander Belikov, Debra J. Audus, Shrayesh Patel, Juan J. de Pablo, Ian T. Foster:
Creating Training Data for Scientific Named Entity Recognition with Minimal Human Effort. ICCS (1) 2019: 398-411 - [c6]Ryan Chard, Zhuozhao Li, Kyle Chard, Logan T. Ward, Yadu N. Babuji, Anna Woodard, Steven Tuecke, Ben Blaiszik, Michael J. Franklin, Ian T. Foster:
DLHub: Model and Data Serving for Science. IPDPS 2019: 283-292 - [c5]Dipendra Jha, Logan T. Ward, Zijiang Yang, Christopher Wolverton, Ian T. Foster, Wei-keng Liao, Alok N. Choudhary, Ankit Agrawal:
IRNet: A General Purpose Deep Residual Regression Framework for Materials Discovery. KDD 2019: 2385-2393 - [c4]Tyler J. Skluzacek, Ryan Chard, Ryan Wong, Zhuozhao Li, Yadu N. Babuji, Logan T. Ward, Ben Blaiszik, Kyle Chard, Ian T. Foster:
Serverless Workflows for Indexing Large Scientific Data. WOSC@Middleware 2019: 43-48 - [c3]Ryan Chard, Logan T. Ward, Zhuozhao Li, Yadu N. Babuji, Anna Woodard, Steven Tuecke, Kyle Chard, Ben Blaiszik, Ian T. Foster:
Publishing and Serving Machine Learning Models with DLHub. PEARC 2019: 73:1-73:7 - [i2]Dipendra Jha, Logan T. Ward, Zijiang Yang, Christopher Wolverton, Ian T. Foster, Wei-keng Liao, Alok N. Choudhary, Ankit Agrawal:
IRNet: A General Purpose Deep Residual Regression Framework for Materials Discovery. CoRR abs/1907.03222 (2019) - 2018
- [c2]Matt Baughman, Ryan Chard, Logan T. Ward, Jason Pitt, Kyle Chard, Ian T. Foster:
Profiling and Predicting Application Performance on the Cloud. UCC 2018: 21-30 - [i1]Ryan Chard, Zhuozhao Li, Kyle Chard, Logan T. Ward, Yadu N. Babuji, Anna Woodard, Steven Tuecke, Ben Blaiszik, Michael J. Franklin, Ian T. Foster:
DLHub: Model and Data Serving for Science. CoRR abs/1811.11213 (2018) - 2017
- [c1]Roselyne B. Tchoua, Kyle Chard, Debra J. Audus, Logan T. Ward, Joshua Lequieu, Juan J. de Pablo, Ian T. Foster:
Towards a Hybrid Human-Computer Scientific Information Extraction Pipeline. eScience 2017: 109-118
Coauthor Index
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