Search Results for author: Ben Blaiszik

Found 10 papers, 5 papers with code

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

no code implementations2 May 2022 Jim James, Nathan Pruyne, Tiberiu Stan, Marcus Schwarting, Jiwon Yeom, Seungbum Hong, Peter Voorhees, Ben Blaiszik, Ian Foster

The trained 3D CNNs are able to segment entire 852 x 852 x 250 voxel 3D volumes in only ~60 seconds, thus hastening the progress towards a deeper understanding of phase transformation phenomena such as dendritic solidification.

Hyperparameter Optimization

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

1 code implementation13 Jun 2021 Austin Clyde, Thomas Brettin, Alexander Partin, Hyunseung Yoo, Yadu Babuji, Ben Blaiszik, Andre Merzky, Matteo Turilli, Shantenu Jha, Arvind Ramanathan, Rick Stevens

Our analysis of the speedup explains that to screen more molecules under a docking paradigm, another order of magnitude speedup must come from model accuracy rather than computing speed (which, if increased, will not anymore alter our throughput to screen molecules).

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

1 code implementation12 Jan 2021 Zhi Hong, J. Gregory Pauloski, Logan Ward, Kyle Chard, Ben Blaiszik, Ian Foster

Researchers worldwide are seeking to repurpose existing drugs or discover new drugs to counter the disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).

Named Entity Recognition

Accelerated, Scalable and Reproducible AI-driven Gravitational Wave Detection

no code implementations15 Dec 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

The development of reusable artificial intelligence (AI) models for wider use and rigorous validation by the community promises to unlock new opportunities in multi-messenger astrophysics.

Distributed Computing Gravitational Wave Detection

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

no code implementations30 Nov 2020 Sutanay Choudhury, Jenna A. Bilbrey, Logan Ward, Sotiris S. Xantheas, Ian Foster, Joseph P. Heindel, Ben Blaiszik, Marcus E. Schwarting

Intermolecular and long-range interactions are central to phenomena as diverse as gene regulation, topological states of quantum materials, electrolyte transport in batteries, and the universal solvation properties of water.

Towards Online Steering of Flame Spray Pyrolysis Nanoparticle Synthesis

1 code implementation16 Oct 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

Flame Spray Pyrolysis (FSP) is a manufacturing technique to mass produce engineered nanoparticles for applications in catalysis, energy materials, composites, and more.

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

1 code implementation28 May 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

Researchers across the globe are seeking to rapidly repurpose existing drugs or discover new drugs to counter the the novel coronavirus disease (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).

funcX: A Federated Function Serving Fabric for Science

no code implementations7 May 2020 Ryan Chard, Yadu Babuji, Zhuozhao Li, Tyler Skluzacek, Anna Woodard, Ben Blaiszik, Ian Foster, Kyle Chard

These new approaches must enable computation to be mobile, so that, for example, it can occur near data, be triggered by events (e. g., arrival of new data), be offloaded to specialized accelerators, or run remotely where resources are available.

Distributed, Parallel, and Cluster Computing

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

1 code implementation7 Jun 2019 Logan Ward, Ben Blaiszik, Ian Foster, Rajeev S. Assary, Badri Narayanan, Larry Curtiss

Recent studies illustrate how machine learning (ML) can be used to bypass a core challenge of molecular modeling: the tradeoff between accuracy and computational cost.

DLHub: Model and Data Serving for Science

no code implementations27 Nov 2018 Ryan Chard, Zhuozhao Li, Kyle Chard, Logan Ward, Yadu Babuji, Anna Woodard, Steve Tuecke, Ben Blaiszik, Michael J. Franklin, Ian Foster

Here we present the Data and Learning Hub for science (DLHub), a multi-tenant system that provides both model repository and serving capabilities with a focus on science applications.

Distributed Computing

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