Luca Martino

Daniel Heestermans Svendsen, Daniel Hernández-Lobato, Luca Martino et al.

Earth observation from satellites offers the possibility to monitor our planet with unprecedented accuracy. Radiative transfer models (RTMs) encode the energy transfer through the atmosphere, and are used to model and understand the Earth system, as well as to estimate the parameters that describe the status of the Earth from satellite observations by inverse modeling. However, performing inference over such simulators is a challenging problem. RTMs are nonlinear, non-differentiable and computationally costly codes, which adds a high level of difficulty in inference. In this paper, we introduce two computational techniques to infer not only point estimates of biophysical parameters but also their joint distribution. One of them is based on a variational autoencoder approach and the second one is based on a Monte Carlo Expectation Maximization (MCEM) scheme. We compare and discuss benefits and drawbacks of each approach. We also provide numerical comparisons in synthetic simulations and the real PROSAIL model, a popular RTM that combines land vegetation leaf and canopy modeling. We analyze the performance of the two approaches for modeling and inferring the distribution of three key biophysical parameters for quantifying the terrestrial biosphere.

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.

Samuel Rey, Luca Martino, Roberto San Millan et al.

Research on soundscapes has shifted the focus of environmental acoustics from noise levels to the perception of sounds, incorporating contextual factors. Soundscape emotion recognition (SER) models perception using a set of features, with arousal and valence commonly regarded as sufficient descriptors of affect. In this work, we blend \emph{graph learning} techniques with a novel \emph{information criterion} to develop a feature selection framework for SER. Specifically, we estimate a sparse graph representation of feature relations using linear structural equation models (SEM) tailored to the widely used Emo-Soundscapes dataset. The resulting graph captures the relations between input features and the two emotional outputs. To determine the appropriate level of sparsity, we propose a novel \emph{generalized elbow detector}, which provides both a point estimate and an uncertainty interval. We conduct an extensive evaluation of our methods, including visualizations of the inferred relations. While several of our findings align with previous studies, the graph representation also reveals a strong connection between arousal and valence, challenging common SER assumptions.

Luca Martino

In the last decades, energy-based models (EBMs) have become an important class of probabilistic models in which a component of the likelihood is intractable and therefore cannot be evaluated explicitly. Consequently, parameter estimation in EBMs is challenging for conventional inference methods. In this work, we provide a unified framework that connects noise contrastive estimation (NCE), reverse logistic regression (RLR), multiple importance sampling (MIS), and bridge sampling within the context of EBMs. We further show that these methods are equivalent under specific conditions. This unified perspective clarifies relationships among existing methods and enables the development of new estimators, with the potential to improve statistical and computational efficiency. Furthermore, this study helps elucidate the success of NCE in terms of its flexibility and robustness, while also identifying scenarios in which its performance can be further improved. Hence, rather than being a purely descriptive review, this work offers a unifying perspective and additional methodological contributions. The MATLAB code used in the numerical experiments is also made freely available to support the reproducibility of the results.

Javier Lopez-Santiago, Luca Martino, Joaquin Miguez et al.

Bayesian computational strategies for inference can be inefficient in approximating the posterior distribution in models that exhibit some form of periodicity. This is because the probability mass of the marginal posterior distribution of the parameter representing the period is usually highly concentrated in a very small region of the parameter space. Therefore, it is necessary to provide as much information as possible to the inference method through the parameter prior distribution. We intend to show that it is possible to construct a prior distribution from the data by fitting a Gaussian process (GP) with a periodic kernel. More specifically, we want to show that it is possible to approximate the marginal posterior distribution of the hyperparameter corresponding to the period in the kernel. Subsequently, this distribution can be used as a prior distribution for the inference method. We use an adaptive importance sampling method to approximate the posterior distribution of the hyperparameters of the GP. Then, we use the marginal posterior distribution of the hyperparameter related to the periodicity in order to construct a prior distribution for the period of the parametric model. This workflow is empirical Bayes, implemented as a modular (cut) transfer of a GP posterior for the period to the parametric model. We applied the proposed methodology to both synthetic and real data. We approximated the posterior distribution of the period of the GP kernel and then passed it forward as a posterior-as-prior with no feedback. Finally, we analyzed its impact on the marginal posterior distribution.

Samuel Rey, Ernesto Curbelo, Luca Martino et al.

This work addresses the problem of graph learning from data following a Gaussian Graphical Model (GGM) with a time-varying mean. Graphical Lasso (GL), the standard method for estimating sparse precision matrices, assumes that the observed data follows a zero-mean Gaussian distribution. However, this assumption is often violated in real-world scenarios where the mean evolves over time due to external influences, trends, or regime shifts. When the mean is not properly accounted for, applying GL directly can lead to estimating a biased precision matrix, hence hindering the graph learning task. To overcome this limitation, we propose Graphical Lasso with Adaptive Targeted Adaptive Importance Sampling (GL-ATAIS), an iterative method that jointly estimates the time-varying mean and the precision matrix. Our approach integrates Bayesian inference with frequentist estimation, leveraging importance sampling to obtain an estimate of the mean while using a regularized maximum likelihood estimator to infer the precision matrix. By iteratively refining both estimates, GL-ATAIS mitigates the bias introduced by time-varying means, leading to more accurate graph recovery. Our numerical evaluation demonstrates the impact of properly accounting for time-dependent means and highlights the advantages of GL-ATAIS over standard GL in recovering the true graph structure.

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.

Luca Martino, Víctor Elvira, Javier López-Santiago et al.

In many inference problems, the evaluation of complex and costly models is often required. In this context, Bayesian methods have become very popular in several fields over the last years, in order to obtain parameter inversion, model selection or uncertainty quantification. Bayesian inference requires the approximation of complicated integrals involving (often costly) posterior distributions. Generally, this approximation is obtained by means of Monte Carlo (MC) methods. In order to reduce the computational cost of the corresponding technique, surrogate models (also called emulators) are often employed. Another alternative approach is the so-called Approximate Bayesian Computation (ABC) scheme. ABC does not require the evaluation of the costly model but the ability to simulate artificial data according to that model. Moreover, in ABC, the choice of a suitable distance between real and artificial data is also required. In this work, we introduce a novel approach where the expensive model is evaluated only in some well-chosen samples. The selection of these nodes is based on the so-called compressed Monte Carlo (CMC) scheme. We provide theoretical results supporting the novel algorithms and give empirical evidence of the performance of the proposed method in several numerical experiments. Two of them are real-world applications in astronomy and satellite remote sensing.

Luca Martino, Víctor Elvira

Bayesian models have become very popular over the last years in several fields such as signal processing, statistics, and machine learning. Bayesian inference requires the approximation of complicated integrals involving posterior distributions. For this purpose, Monte Carlo (MC) methods, such as Markov Chain Monte Carlo and importance sampling algorithms, are often employed. In this work, we introduce the theory and practice of a Compressed MC (C-MC) scheme to compress the statistical information contained in a set of random samples. In its basic version, C-MC is strictly related to the stratification technique, a well-known method used for variance reduction purposes. Deterministic C-MC schemes are also presented, which provide very good performance. The compression problem is strictly related to the moment matching approach applied in different filtering techniques, usually called as Gaussian quadrature rules or sigma-point methods. C-MC can be employed in a distributed Bayesian inference framework when cheap and fast communications with a central processor are required. Furthermore, C-MC is useful within particle filtering and adaptive IS algorithms, as shown by three novel schemes introduced in this work. Six numerical results confirm the benefits of the introduced schemes, outperforming the corresponding benchmark methods. A related code is also provided.

Daniel Heestermans Svendsen, Maria Piles, Jordi Muñoz-Marí et al.

The modelling of Earth observation data is a challenging problem, typically approached by either purely mechanistic or purely data-driven methods. Mechanistic models encode the domain knowledge and physical rules governing the system. Such models, however, need the correct specification of all interactions between variables in the problem and the appropriate parameterization is a challenge in itself. On the other hand, machine learning approaches are flexible data-driven tools, able to approximate arbitrarily complex functions, but lack interpretability and struggle when data is scarce or in extrapolation regimes. In this paper, we argue that hybrid learning schemes that combine both approaches can address all these issues efficiently. We introduce Gaussian process (GP) convolution models for hybrid modelling in Earth observation (EO) problems. We specifically propose the use of a class of GP convolution models called latent force models (LFMs) for EO time series modelling, analysis and understanding. LFMs are hybrid models that incorporate physical knowledge encoded in differential equations into a multioutput GP model. LFMs can transfer information across time-series, cope with missing observations, infer explicit latent functions forcing the system, and learn parameterizations which are very helpful for system analysis and interpretability. We consider time series of soil moisture from active (ASCAT) and passive (SMOS, AMSR2) microwave satellites. We show how assuming a first order differential equation as governing equation, the model automatically estimates the e-folding time or decay rate related to soil moisture persistence and discovers latent forces related to precipitation. The proposed hybrid methodology reconciles the two main approaches in remote sensing parameter estimation by blending statistical learning and mechanistic modeling.

Gustau Camps-Valls, Daniel H. Svendsen, Jordi Cortés-Andrés et al.

Most problems in Earth sciences aim to do inferences about the system, where accurate predictions are just a tiny part of the whole problem. Inferences mean understanding variables relations, deriving models that are physically interpretable, that are simple parsimonious, and mathematically tractable. Machine learning models alone are excellent approximators, but very often do not respect the most elementary laws of physics, like mass or energy conservation, so consistency and confidence are compromised. In this paper, we describe the main challenges ahead in the field, and introduce several ways to live in the Physics and machine learning interplay: to encode differential equations from data, constrain data-driven models with physics-priors and dependence constraints, improve parameterizations, emulate physical models, and blend data-driven and process-based models. This is a collective long-term AI agenda towards developing and applying algorithms capable of discovering knowledge in the Earth system.

Luca Martino, Jesse Read

The expressive power of Bayesian kernel-based methods has led them to become an important tool across many different facets of artificial intelligence, and useful to a plethora of modern application domains, providing both power and interpretability via uncertainty analysis. This article introduces and discusses two methods which straddle the areas of probabilistic Bayesian schemes and kernel methods for regression: Gaussian Processes and Relevance Vector Machines. Our focus is on developing a common framework with which to view these methods, via intermediate methods a probabilistic version of the well-known kernel ridge regression, and drawing connections among them, via dual formulations, and discussion of their application in the context of major tasks: regression, smoothing, interpolation, and filtering. Overall, we provide understanding of the mathematical concepts behind these models, and we summarize and discuss in depth different interpretations and highlight the relationship to other methods, such as linear kernel smoothers, Kalman filtering and Fourier approximations. Throughout, we provide numerous figures to promote understanding, and we make numerous recommendations to practitioners. Benefits and drawbacks of the different techniques are highlighted. To our knowledge, this is the most in-depth study of its kind to date focused on these two methods, and will be relevant to theoretical understanding and practitioners throughout the domains of data-science, signal processing, machine learning, and artificial intelligence in general.

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.

Daniel Heestermans Svendsen, Luca Martino, Gustau Camps-Valls

Many fields of science and engineering rely on running simulations with complex and computationally expensive models to understand the involved processes in the system of interest. Nevertheless, the high cost involved hamper reliable and exhaustive simulations. Very often such codes incorporate heuristics that ironically make them less tractable and transparent. This paper introduces an active learning methodology for adaptively constructing surrogate models, i.e. emulators, of such costly computer codes in a multi-output setting. The proposed technique is sequential and adaptive, and is based on the optimization of a suitable acquisition function. It aims to achieve accurate approximations, model tractability, as well as compact and expressive simulated datasets. In order to achieve this, the proposed Active Multi-Output Gaussian Process Emulator (AMOGAPE) combines the predictive capacity of Gaussian Processes (GPs) with the design of an acquisition function that favors sampling in low density and fluctuating regions of the approximation functions. Comparing different acquisition functions, we illustrate the promising performance of the method for the construction of emulators with toy examples, as well as for a widely used remote sensing transfer code.

Jesse Read, Luca Martino

A large number and diversity of techniques have been offered in the literature in recent years for solving multi-label classification tasks, including classifier chains where predictions are cascaded to other models as additional features. The idea of extending this chaining methodology to multi-output regression has already been suggested and trialed: regressor chains. However, this has so-far been limited to greedy inference and has provided relatively poor results compared to individual models, and of limited applicability. In this paper we identify and discuss the main limitations, including an analysis of different base models, loss functions, explainability, and other desiderata of real-world applications. To overcome the identified limitations we study and develop methods for regressor chains. In particular we present a sequential Monte Carlo scheme in the framework of a probabilistic regressor chain, and we show it can be effective, flexible and useful in several types of data. We place regressor chains in context in general terms of multi-output learning with continuous outputs, and in doing this shed additional light on classifier chains.

Luca Martino

Many applications in signal processing require the estimation of some parameters of interest given a set of observed data. More specifically, Bayesian inference needs the computation of {\it a-posteriori} estimators which are often expressed as complicated multi-dimensional integrals. Unfortunately, analytical expressions for these estimators cannot be found in most real-world applications, and Monte Carlo methods are the only feasible approach. A very powerful class of Monte Carlo techniques is formed by the Markov Chain Monte Carlo (MCMC) algorithms. They generate a Markov chain such that its stationary distribution coincides with the target posterior density. In this work, we perform a thorough review of MCMC methods using multiple candidates in order to select the next state of the chain, at each iteration. With respect to the classical Metropolis-Hastings method, the use of multiple try techniques foster the exploration of the sample space. We present different Multiple Try Metropolis schemes, Ensemble MCMC methods, Particle Metropolis-Hastings algorithms and the Delayed Rejection Metropolis technique. We highlight limitations, benefits, connections and differences among the different methods, and compare them by numerical simulations.

Daniel Heestermans Svendsen, Luca Martino, Manuel Campos-Taberner et al.

Solving inverse problems is central to geosciences and remote sensing. Radiative transfer models (RTMs) represent mathematically the physical laws which govern the phenomena in remote sensing applications (forward models). The numerical inversion of the RTM equations is a challenging and computationally demanding problem, and for this reason, often the application of a nonlinear statistical regression is preferred. In general, regression models predict the biophysical parameter of interest from the corresponding received radiance. However, this approach does not employ the physical information encoded in the RTMs. An alternative strategy, which attempts to include the physical knowledge, consists in learning a regression model trained using data simulated by an RTM code. In this work, we introduce a nonlinear nonparametric regression model which combines the benefits of the two aforementioned approaches. The inversion is performed taking into account jointly both real observations and RTM-simulated data. The proposed Joint Gaussian Process (JGP) provides a solid framework for exploiting the regularities between the two types of data. The JGP automatically detects the relative quality of the simulated and real data, and combines them accordingly. This occurs by learning an additional hyper-parameter w.r.t. a standard GP model, and fitting parameters through maximizing the pseudo-likelihood of the real observations. The resulting scheme is both simple and robust, i.e., capable of adapting to different scenarios. The advantages of the JGP method compared to benchmark strategies are shown considering RTM-simulated and real observations in different experiments. Specifically, we consider leaf area index (LAI) retrieval from Landsat data combined with simulated data generated by the PROSAIL model.

Luca Martino, Victor Elvira

Monte Carlo (MC) sampling methods are widely applied in Bayesian inference, system simulation and optimization problems. The Markov Chain Monte Carlo (MCMC) algorithms are a well-known class of MC methods which generate a Markov chain with the desired invariant distribution. In this document, we focus on the Metropolis-Hastings (MH) sampler, which can be considered as the atom of the MCMC techniques, introducing the basic notions and different properties. We describe in details all the elements involved in the MH algorithm and the most relevant variants. Several improvements and recent extensions proposed in the literature are also briefly discussed, providing a quick but exhaustive overview of the current Metropolis-based sampling's world.

Luca Martino, Victor Elvira, Gustau Camps-Valls

Monte Carlo methods are essential tools for Bayesian inference. Gibbs sampling is a well-known Markov chain Monte Carlo (MCMC) algorithm, extensively used in signal processing, machine learning, and statistics, employed to draw samples from complicated high-dimensional posterior distributions. The key point for the successful application of the Gibbs sampler is the ability to draw efficiently samples from the full-conditional probability density functions. Since in the general case this is not possible, in order to speed up the convergence of the chain, it is required to generate auxiliary samples whose information is eventually disregarded. In this work, we show that these auxiliary samples can be recycled within the Gibbs estimators, improving their efficiency with no extra cost. This novel scheme arises naturally after pointing out the relationship between the standard Gibbs sampler and the chain rule used for sampling purposes. Numerical simulations involving simple and real inference problems confirm the excellent performance of the proposed scheme in terms of accuracy and computational efficiency. In particular we give empirical evidence of performance in a toy example, inference of Gaussian processes hyperparameters, and learning dependence graphs through regression.

Jesse Read, Luca Martino, Jaakko Hollmén

The number of methods available for classification of multi-label data has increased rapidly over recent years, yet relatively few links have been made with the related task of classification of sequential data. If labels indices are considered as time indices, the problems can often be seen as equivalent. In this paper we detect and elaborate on connections between multi-label methods and Markovian models, and study the suitability of multi-label methods for prediction in sequential data. From this study we draw upon the most suitable techniques from the area and develop two novel competitive approaches which can be applied to either kind of data. We carry out an empirical evaluation investigating performance on real-world sequential-prediction tasks: electricity demand, and route prediction. As well as showing that several popular multi-label algorithms are in fact easily applicable to sequencing tasks, our novel approaches, which benefit from a unified view of these areas, prove very competitive against established methods.