activity
20112026
most citedAutomatic chemical design using a data-driven continuous representation of molecules

3.2k citations · 8.8k across the 71 of their papers we have counts for

collaborators
Showing 2014Show all

7 papers · 1 filter

cs.SE2014

Testing MCMC code

Roger B. Grosse, David K. Duvenaud

Markov Chain Monte Carlo (MCMC) algorithms are a workhorse of probabilistic modeling and inference, but are difficult to debug, and are prone to silent failure if implemented naive…

stat.ML2014★ 53 cited

Raiders of the Lost Architecture: Kernels for Bayesian Optimization in Conditional Parameter Spaces

Kevin Swersky, David Duvenaud, Jasper Snoek +2

In practical Bayesian optimization, we must often search over structures with differing numbers of parameters. For instance, we may wish to search over neural network architectures…

cs.LG2014★ 14 cited

Warped Mixtures for Nonparametric Cluster Shapes

Tomoharu Iwata, David Duvenaud, Zoubin Ghahramani

A mixture of Gaussians fit to a single curved or heavy-tailed cluster will report that the data contains many clusters. To produce more appropriate clusterings, we introduce a mode…

cs.LG2014★ 37 cited

Optimally-Weighted Herding is Bayesian Quadrature

Ferenc Huszar, David Duvenaud

Herding and kernel herding are deterministic methods of choosing samples which summarise a probability distribution. A related task is choosing samples for estimating integrals usi…

stat.ML2014★ 43 cited

Probabilistic ODE Solvers with Runge-Kutta Means

Michael Schober, David Duvenaud, Philipp Hennig

Runge-Kutta methods are the classic family of solvers for ordinary differential equations (ODEs), and the basis for the state of the art. Like most numerical methods, they return p…

stat.ML2014★ 79 cited

Avoiding pathologies in very deep networks

David Duvenaud, Oren Rippel, Ryan P. Adams +1

Choosing appropriate architectures and regularization strategies for deep networks is crucial to good predictive performance. To shed light on this problem, we analyze the analogou…