3 accepted papers
We show that unconverged stochastic gradient descent can be interpreted as sampling from a nonparametric approximate posterior distribution. This distribution is implicitly defined by the transformation of an initial distribution by a sequence of optimization steps. By tracking the change in entrop…
We introduce a convolutional neural network that operates directly on graphs.These networks allow end-to-end learning of prediction pipelines whose inputs are graphs of arbitrary size and shape.The architecture we present generalizes standard molecular feature extraction methods based on circular fi…
Tuning hyperparameters of learning algorithms is hard because gradients are usually unavailable. We compute exact gradients of cross-validation performance with respect to all hyperparameters by chaining derivatives backwards through the entire training procedure. These gradients allow us to optimiz…