no code implementations • 27 Nov 2021 • Luca Pion-Tonachini, Kristofer Bouchard, Hector Garcia Martin, Sean Peisert, W. Bradley Holtz, Anil Aswani, Dipankar Dwivedi, Haruko Wainwright, Ghanshyam Pilania, Benjamin Nachman, Babetta L. Marrone, Nicola Falco, Prabhat, Daniel Arnold, Alejandro Wolf-Yadlin, Sarah Powers, Sharlee Climer, Quinn Jackson, Ty Carlson, Michael Sohn, Petrus Zwart, Neeraj Kumar, Amy Justice, Claire Tomlin, Daniel Jacobson, Gos Micklem, Georgios V. Gkoutos, Peter J. Bickel, Jean-Baptiste Cazier, Juliane Müller, Bobbie-Jo Webb-Robertson, Rick Stevens, Mark Anderson, Ken Kreutz-Delgado, Michael W. Mahoney, James B. Brown
We outline emerging opportunities and challenges to enhance the utility of AI for scientific 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.
no code implementations • 17 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.
no code implementations • 17 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.
1 code implementation • 16 Oct 2018 • Karl Kumbier, Sumanta Basu, James B. Brown, Susan Celniker, Bin Yu
We describe stable and predictive importance metrics to rank signed interactions.
4 code implementations • 26 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.