Xiuyuan Lu

Ian Osband, Zheng Wen, Seyed Mohammad Asghari et al. · stanford

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.

Chao Qin, Zheng Wen, Xiuyuan Lu et al. · deepmind, stanford

Ensemble sampling serves as a practical approximation to Thompson sampling when maintaining an exact posterior distribution over model parameters is computationally intractable. In this paper, we establish a regret bound that ensures desirable behavior when ensemble sampling is applied to the linear bandit problem. This represents the first rigorous regret analysis of ensemble sampling and is made possible by leveraging information-theoretic concepts and novel analytic techniques that may prove useful beyond the scope of this paper.

Vikranth Dwaracherla, Zheng Wen, Ian Osband et al. · deepmind, stanford

In machine learning, an agent needs to estimate uncertainty to efficiently explore and adapt and to make effective decisions. A common approach to uncertainty estimation maintains an ensemble of models. In recent years, several approaches have been proposed for training ensembles, and conflicting views prevail with regards to the importance of various ingredients of these approaches. In this paper, we aim to address the benefits of two ingredients -- prior functions and bootstrapping -- which have come into question. We show that prior functions can significantly improve an ensemble agent's joint predictions across inputs and that bootstrapping affords additional benefits if the signal-to-noise ratio varies across inputs. Our claims are justified by both theoretical and experimental results.

Xiuyuan Lu, Ian Osband, Seyed Mohammad Asghari et al. · stanford

Recent work introduced the epinet as a new approach to uncertainty modeling in deep learning. An epinet is a small neural network added to traditional neural networks, which, together, can produce predictive distributions. In particular, using an epinet can greatly improve the quality of joint predictions across multiple inputs, a measure of how well a neural network knows what it does not know. In this paper, we examine whether epinets can offer similar advantages under distributional shifts. We find that, across ImageNet-A/O/C, epinets generally improve robustness metrics. Moreover, these improvements are more significant than those afforded by even very large ensembles at orders of magnitude lower computational costs. However, these improvements are relatively small compared to the outstanding issues in distributionally-robust deep learning. Epinets may be a useful tool in the toolbox, but they are far from the complete solution.

Ian Osband, Zheng Wen, Seyed Mohammad Asghari et al.

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. Crucially, the testbed assesses agents not only on the quality of their marginal predictions per input, but also on their joint predictions across many inputs. 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.

Ian Osband, Zheng Wen, Seyed Mohammad Asghari et al.

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.

Zheng Wen, Ian Osband, Chao Qin et al.

A fundamental challenge for any intelligent system is prediction: given some inputs, can you predict corresponding outcomes? Most work on supervised learning has focused on producing accurate marginal predictions for each input. However, we show that for a broad class of decision problems, accurate joint predictions are required to deliver good performance. In particular, we establish several results pertaining to combinatorial decision problems, sequential predictions, and multi-armed bandits to elucidate the essential role of joint predictive distributions. Our treatment of multi-armed bandits introduces an approximate Thompson sampling algorithm and analytic techniques that lead to a new kind of regret bound.

Xiuyuan Lu, Benjamin Van Roy

Thompson sampling has emerged as an effective heuristic for a broad range of online decision problems. In its basic form, the algorithm requires computing and sampling from a posterior distribution over models, which is tractable only for simple special cases. This paper develops ensemble sampling, which aims to approximate Thompson sampling while maintaining tractability even in the face of complex models such as neural networks. Ensemble sampling dramatically expands on the range of applications for which Thompson sampling is viable. We establish a theoretical basis that supports the approach and present computational results that offer further insight.