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FAIR principles for AI models, with a practical application for accelerated high energy diffraction microscopy


Jul 14, 2022
Nikil Ravi, Pranshu Chaturvedi, E. A. Huerta, Zhengchun Liu, Ryan Chard, Aristana Scourtas, K. J. Schmidt, Kyle Chard, Ben Blaiszik, Ian Foster

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* 10 pages, 3 figures. Comments welcome! 

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3D Convolutional Neural Networks for Dendrite Segmentation Using Fine-Tuning and Hyperparameter Optimization


May 02, 2022
Jim James, Nathan Pruyne, Tiberiu Stan, Marcus Schwarting, Jiwon Yeom, Seungbum Hong, Peter Voorhees, Ben Blaiszik, Ian Foster

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Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening


Jun 30, 2021
Austin Clyde, Thomas Brettin, Alexander Partin, Hyunseung Yoo, Yadu Babuji, Ben Blaiszik, Andre Merzky, Matteo Turilli, Shantenu Jha, Arvind Ramanathan, Rick Stevens

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AI- and HPC-enabled Lead Generation for SARS-CoV-2: Models and Processes to Extract Druglike Molecules Contained in Natural Language Text


Jan 12, 2021
Zhi Hong, J. Gregory Pauloski, Logan Ward, Kyle Chard, Ben Blaiszik, Ian Foster

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* 17 single-column pages, 6 figures, and 6 tables 

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Confluence of Artificial Intelligence and High Performance Computing for Accelerated, Scalable and Reproducible Gravitational Wave Detection


Dec 15, 2020
E. A. Huerta, Asad Khan, Xiaobo Huang, Minyang Tian, Maksim Levental, Ryan Chard, Wei Wei, Maeve Heflin, Daniel S. Katz, Volodymyr Kindratenko, Dawei Mu, Ben Blaiszik, Ian Foster

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* 17 pages, 5 figures 

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HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data


Nov 30, 2020
Sutanay Choudhury, Jenna A. Bilbrey, Logan Ward, Sotiris S. Xantheas, Ian Foster, Joseph P. Heindel, Ben Blaiszik, Marcus E. Schwarting

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* Machine Learning and the Physical Sciences Workshop at the 34th Conference on Neural Information Processing Systems (NeurIPS) 

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Towards Online Steering of Flame Spray Pyrolysis Nanoparticle Synthesis


Oct 16, 2020
Maksim Levental, Ryan Chard, Joseph A. Libera, Kyle Chard, Aarthi Koripelly, Jakob R. Elias, Marcus Schwarting, Ben Blaiszik, Marius Stan, Santanu Chaudhuri, Ian Foster

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Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release


May 28, 2020
Yadu Babuji, Ben Blaiszik, Tom Brettin, Kyle Chard, Ryan Chard, Austin Clyde, Ian Foster, Zhi Hong, Shantenu Jha, Zhuozhao Li, Xuefeng Liu, Arvind Ramanathan, Yi Ren, Nicholaus Saint, Marcus Schwarting, Rick Stevens, Hubertus van Dam, Rick Wagner

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* 11 pages, 5 figures 

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