Search Results for author: James B. Brown

Found 6 papers, 3 papers with code

Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery

4 code implementations ICLR 2022 Yulun Wu, Mikaela Cashman, Nicholas Choma, Érica T. Prates, Verónica G. Melesse Vergara, Manesh Shah, Andrew Chen, Austin Clyde, Thomas S. Brettin, Wibe A. de Jong, Neeraj Kumar, Martha S. Head, Rick L. Stevens, Peter Nugent, Daniel A. Jacobson, James B. Brown

We developed Distilled Graph Attention Policy Network (DGAPN), a reinforcement learning model to generate novel graph-structured chemical representations that optimize user-defined objectives by efficiently navigating a physically constrained domain.

Drug Discovery Graph Attention

Sparse Canonical Correlation Analysis via Concave Minimization

no code implementations17 Sep 2019 Omid S. Solari, James B. Brown, Peter J. Bickel

We also introduceDirected Sparse CCA, which is able to find associations which are aligned with a specified experiment design, andMulti-View sCCA which is used to discover associations between multiple sets of covariates.

BLOCCS: Block Sparse Canonical Correlation Analysis With Application To Interpretable Omics Integration

no code implementations17 Sep 2019 Omid Shams Solari, Rojin Safavi, James B. Brown

We introduce Block Sparse Canonical Correlation Analysis which estimates multiple pairs of canonical directions (together a "block") at once, resulting in significantly improved orthogonality of the sparse directions which, we demonstrate, translates to more interpretable solutions.

Refining interaction search through signed iterative Random Forests

1 code implementation16 Oct 2018 Karl Kumbier, Sumanta Basu, James B. Brown, Susan Celniker, Bin Yu

We describe stable and predictive importance metrics to rank signed interactions.

Iterative Random Forests to detect predictive and stable high-order interactions

4 code implementations26 Jun 2017 Sumanta Basu, Karl Kumbier, James B. Brown, Bin Yu

Genomics has revolutionized biology, enabling the interrogation of whole transcriptomes, genome-wide binding sites for proteins, and many other molecular processes.

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