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Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing


Oct 06, 2021
Logan Ward, Ganesh Sivaraman, J. Gregory Pauloski, Yadu Babuji, Ryan Chard, Naveen Dandu, Paul C. Redfern, Rajeev S. Assary, Kyle Chard, Larry A. Curtiss, Rajeev Thakur, Ian Foster

* camera-ready version for ML in HPC Environments 2021 

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KAISA: An Adaptive Second-order Optimizer Framework for Deep Neural Networks


Jul 04, 2021
J. Gregory Pauloski, Qi Huang, Lei Huang, Shivaram Venkataraman, Kyle Chard, Ian Foster, Zhao Zhang

* To be published in the proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (SC21) 

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BFTrainer: Low-Cost Training of Neural Networks on Unfillable Supercomputer Nodes


Jun 22, 2021
Zhengchun Liu, Rajkumar Kettimuthu, Michael E. Papka, Ian Foster


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Bridge Data Center AI Systems with Edge Computing for Actionable Information Retrieval


May 28, 2021
Zhengchun Liu, Ahsan Ali, Peter Kenesei, Antonino Miceli, Hemant Sharma, Nicholas Schwarz, Dennis Trujillo, Hyunseung Yoo, Ryan Coffee, Ryan Herbst, Jana Thayer, Chun Hong Yoon, Ian Foster


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Achieving 100X faster simulations of complex biological phenomena by coupling ML to HPC ensembles


Apr 26, 2021
Alexander Brace, Hyungro Lee, Heng Ma, Anda Trifan, Matteo Turilli, Igor Yakushin, Todd Munson, Ian Foster, Shantenu Jha, Arvind Ramanathan


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Data-driven Cloud Clustering via a Rotationally Invariant Autoencoder


Mar 08, 2021
Takuya Kurihana, Elisabeth Moyer, Rebecca Willett, Davis Gilton, Ian Foster

* 21 pages. 15 figures. Under review by IEEE Transactions on Geoscience and Remote Sensing (TGRS) 

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Fast and accurate learned multiresolution dynamical downscaling for precipitation


Jan 18, 2021
Jiali Wang, Zhengchun Liu, Ian Foster, Won Chang, Rajkumar Kettimuthu, Rao Kotamarthi


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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

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

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Infrastructure for Artificial Intelligence, Quantum and High Performance Computing


Dec 16, 2020
William Gropp, Sujata Banerjee, Ian Foster

* A Computing Community Consortium (CCC) white paper, 3 pages 

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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

* 17 pages, 5 figures 

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The Rise of AI-Driven Simulators: Building a New Crystal Ball


Dec 11, 2020
Ian Foster, David Parkes, Stephan Zheng

* A Computing Community Consortium (CCC) white paper, 4 pages 

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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

* 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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BraggNN: Fast X-ray Bragg Peak Analysis Using Deep Learning


Aug 18, 2020
Zhengchun Liu, Hemant Sharma, Jun-Sang Park, Peter Kenesei, Jonathan Almer, Rajkumar Kettimuthu, 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

* 11 pages, 5 figures 

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Scientific Image Restoration Anywhere


Nov 12, 2019
Vibhatha Abeykoon, Zhengchun Liu, Rajkumar Kettimuthu, Geoffrey Fox, Ian Foster

* 6 pages, 8 figures, 1 table 

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Deep Learning Accelerated Light Source Experiments


Oct 09, 2019
Zhengchun Liu, Tekin Bicer, Rajkumar Kettimuthu, Ian Foster


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IRNet: A General Purpose Deep Residual Regression Framework for Materials Discovery


Jul 07, 2019
Dipendra Jha, Logan Ward, Zijiang Yang, Christopher Wolverton, Ian Foster, Wei-keng Liao, Alok Choudhary, Ankit Agrawal

* 9 pages, under publication at KDD'19 

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Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations


Jun 07, 2019
Logan Ward, Ben Blaiszik, Ian Foster, Rajeev S. Assary, Badri Narayanan, Larry Curtiss


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TomoGAN: Low-Dose X-Ray Tomography with Generative Adversarial Networks


Mar 09, 2019
Zhengchun Liu, Tekin Bicer, Rajkumar Kettimuthu, Doga Gursoy, Francesco De Carlo, Ian Foster


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DLHub: Model and Data Serving for Science


Nov 27, 2018
Ryan Chard, Zhuozhao Li, Kyle Chard, Logan Ward, Yadu Babuji, Anna Woodard, Steve Tuecke, Ben Blaiszik, Michael J. Franklin, Ian Foster

* 10 pages, 8 figures, conference paper 

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