Active learning of model evidence using Bayesian quadrature

Numerical integration is a key component of many problems in scientific computing, statistical modelling, and machine learning. Bayesian Quadrature is a modelbased method for numerical integration which, relative to standard Monte Carlo methods, offers increased sample efficiency and a more robust estimate of the uncertainty in the estimated integral. We propose a novel Bayesian Quadrature approach for numerical integration when the integrand is non-negative, such as the case of computing the marginal likelihood, predictive distribution, or normalising constant of a probabilistic model. Our approach approximately marginalises the quadrature model's hyperparameters in closed form, and introduces an active learning scheme to optimally select function evaluations, as opposed to using Monte Carlo samples. We demonstrate our method on both a number of synthetic benchmarks and a real scientific problem from astronomy.

Bayesian Active Learning for Classification and Preference Learning

Information theoretic active learning has been widely studied for probabilistic models. For simple regression an optimal myopic policy is easily tractable. However, for other tasks and with more complex models, such as classification with nonparametric models, the optimal solution is harder to compute. Current approaches make approximations to achieve tractability. We propose an approach that expresses information gain in terms of predictive entropies, and apply this method to the Gaussian Process Classifier (GPC). Our approach makes minimal approximations to the full information theoretic objective. Our experimental performance compares favourably to many popular active learning algorithms, and has equal or lower computational complexity. We compare well to decision theoretic approaches also, which are privy to more information and require much more computational time. Secondly, by developing further a reformulation of binary preference learning to a classification problem, we extend our algorithm to Gaussian Process preference learning.

Phrase-based statistical language generation using graphical models and active learning

Most previous work on trainable language generation has focused on two paradigms: (a) using a statistical model to rank a set of generated utterances, or (b) using statistics to inform the generation decision process. Both approaches rely on the existence of a handcrafted generator, which limits their scalability to new domains. This paper presents BAGEL, a statistical language generator which uses dynamic Bayesian networks to learn from semantically-aligned data produced by 42 untrained annotators. A human evaluation shows that BAGEL can generate natural and informative utterances from unseen inputs in the information presentation domain. Additionally, generation performance on sparse datasets is improved significantly by using certainty-based active learning, yielding ratings close to the human gold standard with a fraction of the data. © 2010 Association for Computational Linguistics.

First-principles energetics of water: a many-body analysis

Standard forms of density-functional theory (DFT) have good predictive power for many materials, but are not yet fully satisfactory for solid, liquid and cluster forms of water. We use a many-body separation of the total energy into its 1-body, 2-body (2B) and beyond-2-body (B2B) components to analyze the deficiencies of two popular DFT approximations. We show how machine-learning methods make this analysis possible for ice structures as well as for water clusters. We find that the crucial energy balance between compact and extended geometries can be distorted by 2B and B2B errors, and that both types of first-principles error are important.