Fernando Llorente

Simo Alami. C, Fernando Llorente, Rim Kaddah et al.

Reinforcement Learning has drawn huge interest as a tool for solving optimal control problems. Solving a given problem (task or environment) involves converging towards an optimal policy. However, there might exist multiple optimal policies that can dramatically differ in their behaviour; for example, some may be faster than the others but at the expense of greater risk. We consider and study a distribution of optimal policies. We design a curiosity-augmented Metropolis algorithm (CAMEO), such that we can sample optimal policies, and such that these policies effectively adopt diverse behaviours, since this implies greater coverage of the different possible optimal policies. In experimental simulations we show that CAMEO indeed obtains policies that all solve classic control problems, and even in the challenging case of environments that provide sparse rewards. We further show that the different policies we sample present different risk profiles, corresponding to interesting practical applications in interpretability, and represents a first step towards learning the distribution of optimal policies itself.

Fernando Llorente, Luca Martino

The performance of the Monte Carlo sampling methods relies on the crucial choice of a proposal density. The notion of optimality is fundamental to design suitable adaptive procedures of the proposal density within Monte Carlo schemes. This work is an exhaustive review around the concept of optimality in importance sampling. Several frameworks are described and analyzed, such as the marginal likelihood approximation for model selection, the use of multiple proposal densities, a sequence of tempered posteriors, and noisy scenarios including the applications to approximate Bayesian computation (ABC) and reinforcement learning, to name a few. Some theoretical and empirical comparisons are also provided.

Marzieh Ajirak, Daniel Waxman, Fernando Llorente et al.

In science and engineering, we often work with models designed for accurate prediction of variables of interest. Recognizing that these models are approximations of reality, it becomes desirable to apply multiple models to the same data and integrate their outcomes. In this paper, we operate within the Bayesian paradigm, relying on Gaussian processes as our models. These models generate predictive probability density functions (pdfs), and the objective is to integrate them systematically, employing both linear and log-linear pooling. We introduce novel approaches for log-linear pooling, determining input-dependent weights for the predictive pdfs of the Gaussian processes. The aggregation of the pdfs is realized through Monte Carlo sampling, drawing samples of weights from their posterior. The performance of these methods, as well as those based on linear pooling, is demonstrated using a synthetic dataset.

Daniel Waxman, Fernando Llorente, Katia Lamer et al.

Optimal experimental design is a classic topic in statistics, with many well-studied problems, applications, and solutions. The design problem we study is the placement of sensors to monitor spatiotemporal processes, explicitly accounting for the temporal dimension in our modeling and optimization. We observe that recent advancements in computational sciences often yield large datasets based on physics-based simulations, which are rarely leveraged in experimental design. We introduce a novel model-based sensor placement criterion, along with a highly-efficient optimization algorithm, which integrates physics-based simulations and Bayesian experimental design principles to identify sensor networks that "minimize information loss" from simulated data. Our technique relies on sparse variational inference and (separable) Gauss-Markov priors, and thus may adapt many techniques from Bayesian experimental design. We validate our method through a case study monitoring air temperature in Phoenix, Arizona, using state-of-the-art physics-based simulations. Our results show our framework to be superior to random or quasi-random sampling, particularly with a limited number of sensors. We conclude by discussing practical considerations and implications of our framework, including more complex modeling tools and real-world deployments.

Fernando Llorente, Daniel Waxman, Sanket Jantre et al.

Gaussian processes (GPs) offer a flexible, uncertainty-aware framework for modeling complex signals, but scale cubically with data, assume static targets, and are brittle to outliers, limiting their applicability in large-scale problems with dynamic and noisy environments. Recent work introduced decentralized random Fourier feature Gaussian processes (DRFGP), an online and distributed algorithm that casts GPs in an information-filter form, enabling exact sequential inference and fully distributed computation without reliance on a fusion center. In this paper, we extend DRFGP along two key directions: first, by introducing a robust-filtering update that downweights the impact of atypical observations; and second, by incorporating a dynamic adaptation mechanism that adapts to time-varying functions. The resulting algorithm retains the recursive information-filter structure while enhancing stability and accuracy. We demonstrate its effectiveness on a large-scale Earth system application, underscoring its potential for in-situ modeling.

Daniel Waxman, Fernando Llorente, Petar M. Djurić

We revisit the classical problem of Bayesian ensembles and address the challenge of learning optimal combinations of Bayesian models in an online, continual learning setting. To this end, we reinterpret existing approaches such as Bayesian model averaging (BMA) and Bayesian stacking through a novel empirical Bayes lens, shedding new light on the limitations and pathologies of BMA. Further motivated by insights from online optimization, we propose Online Bayesian Stacking (OBS), a method that optimizes the log-score over predictive distributions to adaptively combine Bayesian models. A key contribution of our work is establishing a novel connection between OBS and portfolio selection, bridging Bayesian ensemble learning with a rich, well-studied theoretical framework that offers efficient algorithms and extensive regret analysis. We further clarify the relationship between OBS and online BMA, showing that they optimize related but distinct cost functions. Through theoretical analysis and empirical evaluation, we identify scenarios where OBS outperforms online BMA and provide principled guidance on when practitioners should prefer one approach over the other.

Fernando Llorente, Daniel Waxman, Petar M. Djurić

Flexible and scalable decentralized learning solutions are fundamentally important in the application of multi-agent systems. While several recent approaches introduce (ensembles of) kernel machines in the distributed setting, Bayesian solutions are much more limited. We introduce a fully decentralized, asymptotically exact solution to computing the random feature approximation of Gaussian processes. We further address the choice of hyperparameters by introducing an ensembling scheme for Bayesian multiple kernel learning based on online Bayesian model averaging. The resulting algorithm is tested against Bayesian and frequentist methods on simulated and real-world datasets.

Fernando Llorente, Luca Martino, Jesse Read et al.

In this work, we analyze the noisy importance sampling (IS), i.e., IS working with noisy evaluations of the target density. We present the general framework and derive optimal proposal densities for noisy IS estimators. The optimal proposals incorporate the information of the variance of the noisy realizations, proposing points in regions where the noise power is higher. We also compare the use of the optimal proposals with previous optimality approaches considered in a noisy IS framework.

F. Llorente, L. Martino, J. Read et al.

This survey gives an overview of Monte Carlo methodologies using surrogate models, for dealing with densities which are intractable, costly, and/or noisy. This type of problem can be found in numerous real-world scenarios, including stochastic optimization and reinforcement learning, where each evaluation of a density function may incur some computationally-expensive or even physical (real-world activity) cost, likely to give different results each time. The surrogate model does not incur this cost, but there are important trade-offs and considerations involved in the choice and design of such methodologies. We classify the different methodologies into three main classes and describe specific instances of algorithms under a unified notation. A modular scheme which encompasses the considered methods is also presented. A range of application scenarios is discussed, with special attention to the likelihood-free setting and reinforcement learning. Several numerical comparisons are also provided.

F. Llorente, E. Curbelo, L. Martino et al.

Monte Carlo sampling methods are the standard procedure for approximating complicated integrals of multidimensional posterior distributions in Bayesian inference. In this work, we focus on the class of Layered Adaptive Importance Sampling (LAIS) scheme, which is a family of adaptive importance samplers where Markov chain Monte Carlo algorithms are employed to drive an underlying multiple importance sampling scheme. The modular nature of LAIS allows for different possible implementations, yielding a variety of different performance and computational costs. In this work, we propose different enhancements of the classical LAIS setting in order to increase the efficiency and reduce the computational cost, of both upper and lower layers. The different variants address computational challenges arising in real-world applications, for instance with highly concentrated posterior distributions. Furthermore, we introduce different strategies for designing cheaper schemes, for instance, recycling samples generated in the upper layer and using them in the final estimators in the lower layer. Different numerical experiments, considering several challenging scenarios, show the benefits of the proposed schemes comparing with benchmark methods presented in the literature.

F. Llorente, L. Martino, D. Delgado et al.

Understanding systems by forward and inverse modeling is a recurrent topic of research in many domains of science and engineering. In this context, Monte Carlo methods have been widely used as powerful tools for numerical inference and optimization. They require the choice of a suitable proposal density that is crucial for their performance. For this reason, several adaptive importance sampling (AIS) schemes have been proposed in the literature. We here present an AIS framework called Regression-based Adaptive Deep Importance Sampling (RADIS). In RADIS, the key idea is the adaptive construction via regression of a non-parametric proposal density (i.e., an emulator), which mimics the posterior distribution and hence minimizes the mismatch between proposal and target densities. RADIS is based on a deep architecture of two (or more) nested IS schemes, in order to draw samples from the constructed emulator. The algorithm is highly efficient since employs the posterior approximation as proposal density, which can be improved adding more support points. As a consequence, RADIS asymptotically converges to an exact sampler under mild conditions. Additionally, the emulator produced by RADIS can be in turn used as a cheap surrogate model for further studies. We introduce two specific RADIS implementations that use Gaussian Processes (GPs) and Nearest Neighbors (NN) for constructing the emulator. Several numerical experiments and comparisons show the benefits of the proposed schemes. A real-world application in remote sensing model inversion and emulation confirms the validity of the approach.

F. Llorente, L. Martino, V. Elvira et al.

Numerical integration and emulation are fundamental topics across scientific fields. We propose novel adaptive quadrature schemes based on an active learning procedure. We consider an interpolative approach for building a surrogate posterior density, combining it with Monte Carlo sampling methods and other quadrature rules. The nodes of the quadrature are sequentially chosen by maximizing a suitable acquisition function, which takes into account the current approximation of the posterior and the positions of the nodes. This maximization does not require additional evaluations of the true posterior. We introduce two specific schemes based on Gaussian and Nearest Neighbors (NN) bases. For the Gaussian case, we also provide a novel procedure for fitting the bandwidth parameter, in order to build a suitable emulator of a density function. With both techniques, we always obtain a positive estimation of the marginal likelihood (a.k.a., Bayesian evidence). An equivalent importance sampling interpretation is also described, which allows the design of extended schemes. Several theoretical results are provided and discussed. Numerical results show the advantage of the proposed approach, including a challenging inference problem in an astronomic dynamical model, with the goal of revealing the number of planets orbiting a star.

Fernando Llorente, Luca Martino, David Delgado et al.

This is an up-to-date introduction to, and overview of, marginal likelihood computation for model selection and hypothesis testing. Computing normalizing constants of probability models (or ratio of constants) is a fundamental issue in many applications in statistics, applied mathematics, signal processing and machine learning. This article provides a comprehensive study of the state-of-the-art of the topic. We highlight limitations, benefits, connections and differences among the different techniques. Problems and possible solutions with the use of improper priors are also described. Some of the most relevant methodologies are compared through theoretical comparisons and numerical experiments.