Ensembles of geophysical models improve prediction accuracy and express uncertainties. We develop a novel data-driven ensembling strategy for combining geophysical models using Bayesian Neural Networks, which infers spatiotemporally varying model weights and bias, while accounting for heteroscedastic uncertainties in the observations. This produces more accurate and uncertaintyaware predictions without sacrificing interpretability. Applied to the prediction of total column ozone from an ensemble of 15 chemistry-climate models, we find that the Bayesian neural network ensemble (BayNNE) outperforms existing methods for ensembling physical models, achieving a 49.4% reduction in RMSE for temporal extrapolation, and a 67.4% reduction in RMSE for polar data voids, compared to a weighted mean. Uncertainty is also well-characterized, with 91.9% of the data points in our extrapolation validation dataset lying within 2 standard deviations and 98.9% within 3 standard deviations.

We present the Sum-Product Probabilistic Language (SPPL), a new system that automatically delivers exact solutions to a broad range of probabilistic inference queries. SPPL symbolically represents the full distribution on execution traces specified by a probabilistic program using a generalization of sum-product networks. SPPL handles continuous and discrete distributions, many-to-one numerical transformations, and a query language that includes general predicates on random variables. We formalize SPPL in terms of a novel translation strategy from probabilistic programs to a semantic domain of sum-product representations, present new algorithms for exactly conditioning on and computing probabilities of queries, and prove their soundness under the semantics. We present techniques for improving the scalability of translation and inference by automatically exploiting conditional independences and repeated structure in SPPL programs. We implement a prototype of SPPL with a modular architecture and evaluate it on a suite of common benchmarks, which establish that our system is up to 3500x faster than state-of-the-art systems for fairness verification; up to 1000x faster than state-of-the-art symbolic algebra techniques; and can compute exact probabilities of rare events in milliseconds.

We propose a novel data-driven approach to solving a classical statistical mechanics problem: given data on collective motion of particles, characterise the set of free energies associated with the system of particles. We demonstrate empirically that the particle data contains all the information necessary to infer a free energy. While traditional physical modelling seeks to construct analytically tractable approximations, the proposed approach leverages modern Bayesian computational capabilities to accomplish this in a purely data-driven fashion. The Bayesian paradigm permits us to combine underpinning physical principles with simulation data to obtain uncertainty-quantified predictions of the free energy, in the form of a probability distribution over the family of free energies consistent with the observed particle data. In the present work we focus on classical statistical mechanical systems with excluded volume interactions. Using standard coarse-graining methods, our results can be made applicable to systems with realistic attractive-repulsive interactions. We validate our method on a paradigmatic and computationally cheap case of a one-dimensional fluid. With the appropriate particle data, it is possible to learn canonical and grand-canonical representations of the underlying physical system. Extensions to higher-dimensional systems are conceptually straightforward.

A point process describes how random sets of exchangeable points are generated. The points usually influence the positions of each other via attractive and repulsive forces. To model this behavior, it is enough to transform the samples from the uniform process with a sufficiently complex equivariant function. However, learning the parameters of the resulting process is challenging since the likelihood is hard to estimate and often intractable. This leads us to our proposed model - CONFET. Based on continuous normalizing flows, it allows arbitrary interactions between points while having tractable likelihood. Experiments on various real and synthetic datasets show the improved performance of our new scalable approach.

While Bayesian Optimization (BO) is a very popular method for optimizing expensive black-box functions, it fails to leverage the experience of domain experts. This causes BO to waste function evaluations on bad design choices (e.g., machine learning hyperparameters) that the expert already knows to work poorly. To address this issue, we introduce Prior-guided Bayesian Optimization (PrBO). PrBO allows users to inject their knowledge into the optimization process in the form of priors about which parts of the input space will yield the best performance, rather than BO's standard priors over functions (which are much less intuitive for users). PrBO then combines these priors with BO's standard probabilistic model to form a pseudo-posterior used to select which points to evaluate next. We show that PrBO is around 12x faster than state-of-the-art methods without user priors and 10,000x faster than random search on a common suite of benchmarks, and achieves a new state-of-the-art performance on a real-world hardware design application. We also show that PrBO converges faster even if the user priors are not entirely accurate and that it robustly recovers from misleading priors.

This paper addresses the problem of model-free reinforcement learning for Robust Markov Decision Process (RMDP) with large state spaces. The goal of the RMDPs framework is to find a policy that is robust against the parameter uncertainties due to the mismatch between the simulator model and real-world settings. We first propose Robust Least Squares Policy Evaluation algorithm, which is a multi-step online model-free learning algorithm for policy evaluation. We prove the convergence of this algorithm using stochastic approximation techniques. We then propose Robust Least Squares Policy Iteration (RLSPI) algorithm for learning the optimal robust policy. We also give a general weighted Euclidean norm bound on the error (closeness to optimality) of the resulting policy. Finally, we demonstrate the performance of our RLSPI algorithm on some benchmark problems from OpenAI Gym.

Bayesian bandits using Thompson Sampling have seen increasing success in recent years. Yet existing value models (of rewards) are misspecified on many real-world problem. We demonstrate this on the User Experience Optimization (UXO) problem, providing a novel formulation as a restless, sleeping bandit with unobserved confounders plus optional stopping. Our case studies show how common misspecifications can lead to sub-optimal rewards, and we provide model extensions to address these, along with a scientific model building process practitioners can adopt or adapt to solve their own unique problems. To our knowledge, this is the first study showing the effects of overdispersion on bandit explore/exploit efficacy, tying the common notions of under- and over-confidence to over- and under-exploration, respectively. We also present the first model to exploit cointegration in a restless bandit, demonstrating that finite regret and fast and consistent optional stopping are possible by moving beyond simpler windowing, discounting, and drift models.

Autonomous agents optimize the reward function we give them. What they don't know is how hard it is for us to design a reward function that actually captures what we want. When designing the reward, we might think of some specific training scenarios, and make sure that the reward will lead to the right behavior in those scenarios. Inevitably, agents encounter new scenarios (e.g., new types of terrain) where optimizing that same reward may lead to undesired behavior. Our insight is that reward functions are merely observations about what the designer actually wants, and that they should be interpreted in the context in which they were designed. We introduce inverse reward design (IRD) as the problem of inferring the true objective based on the designed reward and the training MDP. We introduce approximate methods for solving IRD problems, and use their solution to plan risk-averse behavior in test MDPs. Empirical results suggest that this approach can help alleviate negative side effects of misspecified reward functions and mitigate reward hacking.

Decision theory and nonmonotonic logics are formalisms that can be employed to represent and solve problems of planning under uncertainty. We analyze the usefulness of these two approaches by establishing a simple correspondence between the two formalisms. The analysis indicates that planning using nonmonotonic logic comprises two decision-theoretic concepts: probabilities (degrees of belief in planning hypotheses) and utilities (degrees of preference for planning outcomes). We present and discuss examples of the following lessons from this decision-theoretic view of nonmonotonic reasoning: (1) decision theory and nonmonotonic logics are intended to solve different components of the planning problem; (2) when considered in the context of planning under uncertainty, nonmonotonic logics do not retain the domain-independent characteristics of classical (monotonic) logic; and (3) because certain nonmonotonic programming paradigms (for example, frame-based inheritance, nonmonotonic logics) are inherently problem specific, they might be inappropriate for use in solving certain types of planning problems. We discuss how these conclusions affect several current AI research issues.

Distance weighted discrimination (DWD) is a linear discrimination method that is particularly well-suited for classification tasks with high-dimensional data. The DWD coefficients minimize an intuitive objective function, which can solved very efficiently using state-of-the-art optimization techniques. However, DWD has not yet been cast into a model-based framework for statistical inference. In this article we show that DWD identifies the mode of a proper Bayesian posterior distribution, that results from a particular link function for the class probabilities and a shrinkage-inducing proper prior distribution on the coefficients. We describe a relatively efficient Markov chain Monte Carlo (MCMC) algorithm to simulate from the true posterior under this Bayesian framework. We show that the posterior is asymptotically normal and derive the mean and covariance matrix of its limiting distribution. Through several simulation studies and an application to breast cancer genomics we demonstrate how the Bayesian approach to DWD can be used to (1) compute well-calibrated posterior class probabilities, (2) assess uncertainty in the DWD coefficients and resulting sample scores, (3) improve power via semi-supervised analysis when not all class labels are available, and (4) automatically determine a penalty tuning parameter within the model-based framework. R code to perform Bayesian DWD is available at https://github.com/lockEF/BayesianDWD .