Search Results for author: Thomas Brettin

Found 10 papers, 5 papers with code

Influencing factors on false positive rates when classifying tumor cell line response to drug treatment

no code implementations17 Oct 2023 Priyanka Vasanthakumari, Thomas Brettin, Yitan Zhu, Hyunseung Yoo, Maulik Shukla, Alexander Partin, Fangfang Xia, Oleksandr Narykov, Rick L. Stevens

Several error analysis metrics such as the false positive rate (FPR), and the prediction uncertainty are evaluated, and the results are summarized by cancer type and drug mechanism of action (MoA) category.

Drug Response Prediction

DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies

no code implementations6 Oct 2023 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 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 Irvin, J. Gregory Pauloski, Logan Ward, Valerie Hayot, Murali Emani, Zhen Xie, Diangen Lin, Maulik Shukla, Ian Foster, James J. Davis, Michael E. Papka, Thomas Brettin, Prasanna Balaprakash, Gina Tourassi, John Gounley, Heidi Hanson, Thomas E Potok, Massimiliano Lupo Pasini, Kate Evans, Dan Lu, Dalton 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 Aji, Angela Dalton, Michael Schulte, Karl Schulz, Yuntian Deng, Weili Nie, Josh Romero, Christian Dallago, Arash Vahdat, Chaowei Xiao, Thomas Gibbs, Anima Anandkumar, Rick Stevens

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences.

CrossedWires: A Dataset of Syntactically Equivalent but Semantically Disparate Deep Learning Models

1 code implementation29 Aug 2021 Max Zvyagin, Thomas Brettin, Arvind Ramanathan, Sumit Kumar Jha

Currently, our ability to build standardized deep learning models is limited by the availability of a suite of neural network and corresponding training hyperparameter benchmarks that expose differences between existing deep learning frameworks.

Hyperparameter Optimization

Converting tabular data into images for deep learning with convolutional neural networks

1 code implementation Scientific Reports 2021 Yitan Zhu, Thomas Brettin, Fangfang Xia, Alexander Partin, Maulik Shukla, Hyunseung Yoo, Yvonne A. Evrard, James H. Doroshow, Rick L. Stevens

Convolutional neural networks (CNNs) have been successfully used in many applications where important information about data is embedded in the order of features, such as speech and imaging.

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).

Learning Curves for Drug Response Prediction in Cancer Cell Lines

1 code implementation25 Nov 2020 Alexander Partin, Thomas Brettin, Yvonne A. Evrard, Yitan Zhu, Hyunseung Yoo, Fangfang Xia, Songhao Jiang, Austin Clyde, Maulik Shukla, Michael Fonstein, James H. Doroshow, Rick Stevens

In contrast, a GBDT with hyperparameter tuning exhibits superior performance as compared with both NNs at the lower range of training sizes for two of the datasets, whereas the mNN performs better at the higher range of training sizes.

Drug Response Prediction

Ensemble Transfer Learning for the Prediction of Anti-Cancer Drug Response

no code implementations13 May 2020 Yitan Zhu, Thomas Brettin, Yvonne A. Evrard, Alexander Partin, Fangfang Xia, Maulik Shukla, Hyunseung Yoo, James H. Doroshow, Rick Stevens

Previous transfer learning studies for drug response prediction focused on building models that predict the response of tumor cells to a specific drug treatment.

Drug Response Prediction Transfer Learning

Deep Medical Image Analysis with Representation Learning and Neuromorphic Computing

no code implementations11 May 2020 Neil Getty, Thomas Brettin, Dong Jin, Rick Stevens, Fangfang Xia

We explore three representative lines of research and demonstrate the utility of our methods on a classification benchmark of brain cancer MRI data.

Domain Adaptation Representation Learning

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