D
Dougal Maclaurin
Researcher at Harvard University
Publications - 34
Citations - 7027
Dougal Maclaurin is an academic researcher from Harvard University. The author has contributed to research in topics: Posterior probability & Stochastic gradient descent. The author has an hindex of 22, co-authored 32 publications receiving 5655 citations. Previous affiliations of Dougal Maclaurin include Google & University of Melbourne.
Papers
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Proceedings Article
Convolutional networks on graphs for learning molecular fingerprints
David Duvenaud,Dougal Maclaurin,Jorge Aguilera-Iparraguirre,Rafael Gómez-Bombarelli,Timothy D. Hirzel,Alán Aspuru-Guzik,Ryan P. Adams +6 more
TL;DR: In this paper, a convolutional neural network that operates directly on graphs is proposed to learn end-to-end learning of prediction pipelines whose inputs are graphs of arbitrary size and shape.
Journal ArticleDOI
Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach
Rafael Gómez-Bombarelli,Jorge Aguilera-Iparraguirre,Timothy D. Hirzel,David Duvenaud,Dougal Maclaurin,Martin A. Blood-Forsythe,Hyun Sik Chae,Markus Einzinger,Dong-Gwang Ha,Tony C. Wu,Georgios Markopoulos,Soon Ok Jeon,Ho-Suk Kang,Hiroshi Miyazaki,Numata Masaki,Sunghan Kim,Wenliang Huang,Seongik Hong,Marc A. Baldo,Ryan P. Adams,Alán Aspuru-Guzik +20 more
TL;DR: An integrated organic functional material design process that incorporates theoretical insight, quantum chemistry, cheminformatics, machine learning, industrial expertise, organic synthesis, molecular characterization, device fabrication and optoelectronic testing is reported.
Journal ArticleDOI
All-optical electrophysiology in mammalian neurons using engineered microbial rhodopsins
Daniel Hochbaum,Yongxin Zhao,Samouil L. Farhi,Nathan C. Klapoetke,Christopher A. Werley,Vikrant Kapoor,Peng Zou,Joel M. Kralj,Dougal Maclaurin,Niklas Smedemark-Margulies,Jessica L. Saulnier,Gabriella L. Boulting,Christoph Straub,Yong Ku Cho,Michael Melkonian,Gane Ka-Shu Wong,D. Jed Harrison,Venkatesh N. Murthy,Bernardo L. Sabatini,Edward S. Boyden,Robert E. Campbell,Adam E. Cohen +21 more
TL;DR: In this article, a coexpression vector, Optopatch, enabled cross-talk-free genetically targeted all-optical electrophysiology without the use of conventional electrodes.
Journal ArticleDOI
Quantum measurement and orientation tracking of fluorescent nanodiamonds inside living cells
Liam P. McGuinness,Yan Yan,Alastair Stacey,David Simpson,Liam T. Hall,Dougal Maclaurin,Steven Prawer,Paul Mulvaney,Jörg Wrachtrup,Frank Caruso,Robert E. Scholten,Lloyd C. L. Hollenberg +11 more
TL;DR: The experiments reported here demonstrate the viability of controlled single spin probes for nanomagnetometry in biological systems, opening up a host of new possibilities for quantum-based imaging in the life sciences.
Proceedings Article
Gradient-based Hyperparameter Optimization through Reversible Learning
TL;DR: In this article, the authors compute exact gradients of cross-validation performance with respect to all hyperparameters by chaining derivatives backwards through the entire training procedure, allowing them to optimize thousands of hyperparameter, including step-size and momentum schedules, weight initialization distributions, richly parameterized regularization schemes, and neural network architectures.