Predictive distributions quantify uncertainties ignored by point estimates. This paper introduces The Neural Testbed: an open source benchmark for controlled and principled evaluation of agents that generate such predictions.

Predictive distributions quantify uncertainties ignored by point estimates.

Predictive distributions quantify uncertainties ignored by point estimates. This paper introduces The Neural Testbed: an open source benchmark for controlled and principled evaluation of agents that generate such predictions. We evaluate a range of agents using a simple neural network data generating process.Our results indicate that some popular Bayesian deep learning agents do not fare well with joint predictions, even when they can produce accurate marginal predictions. We also show that the quality of joint predictions drives performance in downstream decision tasks. We find these results are robust across choice a wide range of generative models, and highlight the practical importance of joint predictions to the community.

Thompson sampling (TS) is a popular heuristic for action selection, but it requires sampling from a posterior distribution. Unfortunately, this can become computationally intractable in complex environments, such as those modeled using neural networks. Approximate posterior samples can produce effective actions, but only if they reasonably approximate joint predictive distributions of outputs across inputs. Notably, accuracy of marginal predictive distributions does not suffice. Epistemic neural networks (ENNs) are designed to produce accurate joint predictive distributions. We compare a range of ENNs through computational experiments that assess their performance in approximating TS across bandit and reinforcement learning environments. The results indicate that ENNs serve this purpose well and illustrate how the quality of joint predictive distributions drives performance. Further, we demonstrate that the \textit{epinet} -- a small additive network that estimates uncertainty -- matches the performance of large ensembles at orders of magnitude lower computational cost. This enables effective application of TS with computation that scales gracefully to complex environments.

Most work on supervised learning research has focused on marginal predictions. In decision problems, joint predictive distributions are essential for good performance. Previous work has developed methods for assessing low-order predictive distributions with inputs sampled i.i.d. from the testing distribution. With low-dimensional inputs, these methods distinguish agents that effectively estimate uncertainty from those that do not. We establish that the predictive distribution order required for such differentiation increases greatly with input dimension, rendering these methods impractical. To accommodate high-dimensional inputs, we introduce \textit{dyadic sampling}, which focuses on predictive distributions associated with random \textit{pairs} of inputs. We demonstrate that this approach efficiently distinguishes agents in high-dimensional examples involving simple logistic regression as well as complex synthetic and empirical data.