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Register a new userAmortized Conditional Normalized Maximum Likelihood: Reliable Out of Distribution Uncertainty Estimation
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While deep neural networks provide good performance for a range of challenging tasks, calibration and uncertainty estimation remain major challenges, especially under distribution shift. In this paper, we propose the amortized conditional normalized maximum likelihood (ACNML) method as a scalable general-purpose approach for uncertainty estimation, calibration, and out-of-distribution robustness with deep networks. Our algorithm builds on the conditional normalized maximum likelihood (CNML) coding scheme, which has minimax optimal properties according to the minimum description length principle, but is computationally intractable to evaluate exactly for all but the simplest of model classes. We propose to use approximate Bayesian inference technqiues to produce a tractable approximation to the CNML distribution. Our approach can be combined with any approximate inference algorithm that provides tractable posterior densities over model parameters. We demonstrate that ACNML compares favorably to a number of prior techniques for uncertainty estimation in terms of calibration on out-of-distribution inputs.
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In this work we consider data-driven optimization problems where one must maximize a function given only queries at a fixed set of points. This problem setting emerges in many domains where function evaluation is a complex and expensive process, such as in the design of materials, vehicles, or neural network architectures. Because the available data typically only covers a small manifold of the possible space of inputs, a principal challenge is to be able to construct algorithms that can reason about uncertainty and out-of-distribution values, since a naive optimizer can easily exploit an estimated model to return adversarial inputs. We propose to tackle this problem by leveraging the normalized maximum-likelihood (NML) estimator, which provides a principled approach to handling uncertainty and out-of-distribution inputs. While in the standard formulation NML is intractable, we propose a tractable approximation that allows us to scale our method to high-capacity neural network models. We demonstrate that our method can effectively optimize high-dimensional design problems in a variety of disciplines such as chemistry, biology, and materials engineering.
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Inspired by the Reward-Biased Maximum Likelihood Estimate method of adaptive control, we propose RBMLE -- a novel family of learning algorithms for stochastic multi-armed bandits (SMABs). For a broad range of SMABs including both the parametric Exponential Family as well as the non-parametric sub-Gaussian/Exponential family, we show that RBMLE yields an index policy. To choose the bias-growth rate $alpha(t)$ in RBMLE, we reveal the nontrivial interplay between $alpha(t)$ and the regret bound that generally applies in both the Exponential Family as well as the sub-Gaussian/Exponential family bandits. To quantify the finite-time performance, we prove that RBMLE attains order-optimality by adaptively estimating the unknown constants in the expression of $alpha(t)$ for Gaussian and sub-Gaussian bandits. Extensive experiments demonstrate that the proposed RBMLE achieves empirical regret performance competitive with the state-of-the-art methods, while being more computationally efficient and scalable in comparison to the best-performing ones among them.
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