Machine Learning and the Sciences

Shields, Benjamin J.; Stevens, Jason; Li, Jun; Parasram, Marvin; Damani, Farhan; Alvarado, Jesus I. Martinez; Janey, Jacob M.; Adams, Ryan P.; Doyle, Abigail G.

Bayesian reaction optimization as a tool for chemical synthesis Journal Article

In: Nature, vol. 590, pp. 89-96, 2021.

BibTeX

Seff, Ari; Zhou, Wenda; Damani, Farhan; Doyle, Abigail; Adams, Ryan P.

Discrete Object Generation with Reversible Inductive Construction Conference

Advances in Neural Information Processing Systems 32 (NeurIPS), 2019.

Abstract | Links | BibTeX

Wei, Jennifer N.; Belanger, David; Adams, Ryan P.; Sculley, D.

Rapid Prediction of Electron–Ionization Mass Spectrometry Using Neural Networks Journal Article

In: ACS Central Science, vol. 5, no. 4, pp. 700-708, 2019.

Abstract | Links | BibTeX

Regier, Jeffrey; Miller, Andrew C.; Schlegel, David; Adams, Ryan P.; McAuliffe, Jon D.; Prabhat,

Approximate inference for constructing astronomical catalogs from images Journal Article

In: Annals of Applied Statistics, vol. 13, no. 3, pp. 1884-1926, 2019.

Abstract | Links | BibTeX

Reshef, Yakir A.; Finucane, Hilary; Kelley, David R.; Gusev, Alexander; Kotliar, Dylan; Ulirsch, Jacob C.; Hormozdiari, Farhad; Nasser, Joseph; O'Connor, Luke; van de Geijn, Bryce; Loh, Po-Ru; Grossman, Shari; Bhatia, Gaurav; Gazal, Steven; Palamara, Pier Francesco; Pinello, Luca; Patterson, Nick; Adams, Ryan P.; Price, Alkes

Detecting genome-wide directional effects of transcription factor binding on polygenic disease risk Journal Article

In: Nature Genetics, vol. 50, pp. 143-1493, 2018.

Abstract | Links | BibTeX

Gómez-Bombarelli, Rafael; Wei, Jennifer; Duvenaud, David; Hernández-Lobato, Jose Miguel; Sánchez-Lengeling, Benjamin; Sheberla, Dennis; Aguilera-Iparraguirre, Jorge; Hirzel, Timothy D.; Adams, Ryan P.; Aspuru-Guzik, Alan

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules Journal Article

In: ACS Central Science, vol. 4, no. 2, pp. 268–276, 2018, (arXiv:1610.02415 [cs.LG]).

Abstract | Links | BibTeX

Gómez-Bombarelli, Rafael; Aguilera-Iparraguirre, Jorge; Hirzel, Timothy D.; Duvenaud, David; Maclaurin, Dougal; Blood-Forsythe, Martin A.; Chae, Hyun Sik; Einzinger, Markus; Ha, Dong-Gwang; Wu, Tony; Markopolous, Georgios; Jeon, Soonok; Kang, Hosuk; Miyazaki, Hiroshi; Numata, Masaki; Kim, Sunghan; Huang, Wenliang; Hong, Seong Ik; Baldo, Marc; Adams, Ryan P.; Aspuru-Guzik, Alan

Design of Efficient Molecular Organic Light-Emitting Diodes by a High-Throughput Virtual Screening and Experimental Approach Journal Article

In: Nature Materials, vol. 15, no. 10, pp. 1120–1127, 2016.

Abstract | Links | BibTeX

Linderman, Scott W.; Adams, Ryan P.; Pillow, Jonathan W.

Bayesian Latent Structure Discovery from Multi-neuron Recordings Conference

Advances in Neural Information Processing Systems (NIPS) 29, 2016, (arXiv:1610.08465 [stat.ML]).

Abstract | Links | BibTeX

Duvenaud, David; Maclaurin, Dougal; Aguilera-Iparraguirre, Jorge; Gómez-Bombarelli, Rafael; Hirzel, Timothy D.; Aspuru-Guzik, Alan; Adams, Ryan P.

Convolutional Networks on Graphs for Learning Molecular Fingerprints Conference

Advances in Neural Information Processing Systems (NIPS) 28, 2015, (arXiv:1509.09292 [stat.ML]).

Abstract | Links | BibTeX

Wiltschko, Alexander B.; Johnson, Matthew J.; Iurilli, Giuliano; Peterson, Ralph E.; Katon, Jesse M.; Pashkovski, Stan L.; Abraira, Victoria E.; Adams, Ryan P.; Datta, Sandeep Robert

Mapping Sub-Second Structure in Mouse Behavior Journal Article

In: Neuron, vol. 88, no. 6, pp. 1121–1135, 2015.

Abstract | Links | BibTeX

Linderman, Scott W.; Adams, Ryan P.

Scalable Bayesian Inference for Excitatory Point Process Networks Unpublished

2015, (arXiv:1507.03228 [stat.ML]).

Abstract | Links | BibTeX

Regier, Jeffrey; Miller, Andrew C.; McAuliffe, Jon; Adams, Ryan P.; Hoffman, Matthew D.; Lang, Dustin; Schlegel, David; Prabhat,

Celeste: Variational Inference for a Generative Model of Astronomical Images Conference

Proceedings of the 32nd International Conference on Machine Learning (ICML), 2015, (arXiv:1506.01351 [astro-ph.IM]).

Abstract | Links | BibTeX

Miller, Andrew C.; Wu, Albert; Regier, Jeffrey; McAuliffe, Jon; Lang, Dustin; Prabhat,; Schlegel, David; Adams, Ryan P.

A Gaussian Process Model of Quasar Spectral Energy Distributions Conference

Advances in Neural Information Processing Systems (NIPS) 28, 2015.

Abstract | Links | BibTeX

Linderman, Scott W.; Stock, Christopher H.; Adams, Ryan P.

A Framework for Studying Synaptic Plasticity with Neural Spike Train Data Conference

Advances in Neural Information Processing Systems (NIPS) 27, 2014.

Abstract | Links | BibTeX

Engelhardt, Barbara E.; Adams, Ryan P.

Bayesian Structured Sparsity from Gaussian Fields Unpublished

2014, (arXiv:1407.2235 [stat.ME]).

Abstract | Links | BibTeX

Napp, Nils; Adams, Ryan P.

Message Passing Inference with Chemical Reaction Networks Conference

Advances in Neural Information Processing Systems (NIPS) 26, 2013.

Abstract | Links | BibTeX

Snoek, Jasper; Adams, Ryan P.; Zemel, Richard S.

A Determinantal Point Process Latent Variable Model for Inhibition in Neural Spiking Data Conference

Advances in Neural Information Processing Systems (NIPS) 26, 2013.

Abstract | Links | BibTeX