arXiv subjects

Marco Scavino

Publications and source records attributed to Marco Scavino.

12 recordsLinked to original sources

arXiv2025

A Bayesian Non-linear Mixed-Effects Model for Accurate Detection of the Onset of Cognitive Decline in Longitudinal Aging Studies

Change-point models are frequently considered when modeling phenomena where a regime shift occurs at an unknown time. In ageing research, these models are commonly adopted to estimate of the onset of cognitive decline. Yet commonly used models present several limitations. Here, we present a Bayesian non-linear mixed-effects model based on a differential equation designed for longitudinal studies to overcome some limitations of classical change point models used in ageing research. We demonstrate the ability of the proposed model to avoid biases in estimates of the onset of cognitive impairment in a simulated study. Finally, the methodology presented in this work is illustrated by analysing results from memory tests from older adults who participated in the English Longitudinal Study of Ageing.

stat.ME↗

arXiv2024

Data-driven uncertainty quantification for constrained stochastic differential equations and application to solar photovoltaic power forecast data

In this work, we extend the data-driven Itô stochastic differential equation (SDE) framework for the pathwise assessment of short-term forecast errors to account for the time-dependent upper bound that naturally constrains the observable historical data and forecast. We propose a new nonlinear and time-inhomogeneous SDE model with a Jacobi-type diffusion term for the phenomenon of interest, simultaneously driven by the forecast and the constraining upper bound. We rigorously demonstrate the existence and uniqueness of a strong solution to the SDE model by imposing a condition for the time-varying mean-reversion parameter appearing in the drift term. The normalized forecast function is thresholded to keep such mean-reversion parameters bounded. The SDE model parameter calibration is applied to user-selected approximations of the likelihood function. Another novel contribution is estimating the unknown transition density of the forecast error process with a tailored kernel smoothing technique with the control variate method, coupling an adequate SDE to the original one. We provide a theoretical study about how to choose the optimal bandwidth. We fit the model to the 2019 photovoltaic (PV) solar power daily production and forecast data in Uruguay, computing the daily maximum solar PV production estimation. Two statistical versions of the constrained SDE model are fit, with the beta and truncated normal distributions as proxies for the transition density. Empirical results include simulations of the normalized solar PV power production and pathwise confidence bands generated through an indirect inference method. An objective comparison of optimal parametric points associated with the two selected statistical approximations is provided by applying our innovative kernel smoothing estimation technique of the transition function of the forecast error process.

stat.ME↗

arXiv2023

Modeling metallic fatigue data using the Birnbaum--Saunders distribution

This work employs the Birnbaum--Saunders distribution to model the fatigue life of metallic materials under cyclic loading and compares it with the normal distribution. Fatigue-limit models are fitted to three datasets of unnotched specimens of 75S-T6 aluminum alloys and carbon laminate with different loading types. A new equivalent stress definition that accounts for the effect of the experiment type is proposed. The results show that the Birnbaum--Saunders distribution consistently outperforms the normal distribution in fitting the fatigue data and provides more accurate predictions of fatigue life and survival probability.

stat.CO↗

arXiv2022

Computing f-Divergences and Distances of High-Dimensional Probability Density Functions -- Low-Rank Tensor Approximations

Very often, in the course of uncertainty quantification tasks or data analysis, one has to deal with high-dimensional random variables (RVs). A high-dimensional RV can be described by its probability density (pdf) and/or by the corresponding probability characteristic functions (pcf), or by a polynomial chaos (PCE) or similar expansion. Here the interest is mainly to compute characterisations like the entropy, or relations between two distributions, like their Kullback-Leibler divergence. These are all computed from the pdf, which is often not available directly, and it is a computational challenge to even represent it in a numerically feasible fashion in case the dimension $d$ is even moderately large. In this regard, we propose to represent the density by a high order tensor product, and approximate this in a low-rank format. We show how to go from the pcf or functional representation to the pdf. This allows us to reduce the computational complexity and storage cost from an exponential to a linear. The characterisations such as entropy or the $f$-divergences need the possibility to compute point-wise functions of the pdf. This normally rather trivial task becomes more difficult when the pdf is approximated in a low-rank tensor format, as the point values are not directly accessible any more. The data is considered as an element of a high order tensor space. The considered algorithms are independent of the representation of the data as a tensor. All that we require is that the data can be considered as an element of an associative, commutative algebra with an inner product. Such an algebra is isomorphic to a commutative sub-algebra of the usual matrix algebra, allowing the use of matrix algorithms to accomplish the mentioned tasks.

math.NA↗

arXiv2021

Quantifying Uncertainty with a Derivative Tracking SDE Model and Application to Wind Power Forecast Data

We develop a data-driven methodology based on parametric Itô's Stochastic Differential Equations (SDEs) to capture the real asymmetric dynamics of forecast errors. Our SDE framework features time-derivative tracking of the forecast, time-varying mean-reversion parameter, and an improved state-dependent diffusion term. Proofs of the existence, strong uniqueness, and boundedness of the SDE solutions are shown under a principled condition for the time-varying mean-reversion parameter. Inference based on approximate likelihood, constructed through the moment-matching technique both in the original forecast error space and in the Lamperti space, is performed through numerical optimization procedures. We propose another contribution based on the fixed-point likelihood optimization approach in the Lamperti space. All the procedures are agnostic of the forecasting technology, and they enable comparisons between different forecast providers. We apply our SDE framework to model historical Uruguayan normalized wind power production and forecast data between April and December 2019. Sharp empirical confidence bands of future wind power production are obtained for the best-selected model.

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arXiv2020

Multilevel Density Functional Theory

We introduce a novel density-based multilevel approach in density functional theory. In this multilevel density functional theory (MLDFT), the system is partitioned in an active and an inactive fragment, and all interactions are retained between the two parts. In MLDFT, the Kohn-Sham equations are solved in the MO basis for the active part only, while keeping the inactive density frozen. This results in a reduction of computational cost. We outline the theory and implementation, and discuss applications to aqueous solutions of methyloxirane and glycidol.

physics.chem-ph↗

arXiv2020

eT 1.0: an open source electronic structure program with emphasis on coupled cluster and multilevel methods

The eT program is an open source electronic structure package with emphasis on coupled cluster and multilevel methods. It includes efficient spin adapted implementations of ground and excited singlet states, as well as equation of motion oscillator strengths, for CCS, CC2, CCSD, and CC3. Furthermore, eT provides unique capabilities such as multilevel Hartree-Fock and multilevel CC2, real-time propagation for CCS and CCSD, and efficient CC3 oscillator strengths. With a coupled cluster code based on an efficient Cholesky decomposition algorithm for the electronic repulsion integrals, eT has similar advantages as codes using density fitting, but with strict error control. Here we present the main features of the program and demonstrate its performance through example calculations. Because of its availability, performance, and unique capabilities, we expect eT to become a valuable resource to the electronic structure community.

physics.chem-ph↗

arXiv2018

Spatial Poisson processes for fatigue crack initiation

In this work we propose a stochastic model for estimating the occurrence of crack initiations on the surface of metallic specimens in fatigue problems that can be applied to a general class of geometries. The stochastic model is based on spatial Poisson processes with intensity function that combines stress-life (S-N) curves with averaged effective stress, $σ_{\mathrm{eff}}^Δ (\mathbf{x})$, which is computed after solving numerically the linear elasticity equations on the specimen domains using finite element methods. Here, $Δ$ is a parameter that characterizes the size of the neighbors covering the domain boundary. The averaged effective stress, parameterized by $Δ$, maps the stress tensor to a scalar field upon the specimen domain. Data from fatigue experiments on notched and unnotched sheet specimens of 75S-T6 aluminum alloys are used to calibrate the model parameters for the individual data sets and for their combination. Bayesian and classical approaches are applied to estimate the survival-probability function for any specimen tested under a prescribed fatigue experimental setup. Our proposed model can predict the initiation of cracks in specimens made from the same material with new geometries.

stat.ME↗

arXiv2018

Ensemble-marginalized Kalman filter for linear time-dependent PDEs with noisy boundary conditions: Application to heat transfer in building walls

In this work, we present the ensemble-marginalized Kalman filter (EnMKF), a sequential algorithm analogous to our previously proposed approach [1,2], for estimating the state and parameters of linear parabolic partial differential equations in initial-boundary value problems when the boundary data are noisy. We apply EnMKF to infer the thermal properties of building walls and to estimate the corresponding heat flux from real and synthetic data. Compared with a modified Ensemble Kalman Filter (EnKF) that is not marginalized, EnMKF reduces the bias error, avoids the collapse of the ensemble without needing to add inflation, and converges to the mean field posterior using $50\%$ or less of the ensemble size required by EnKF. According to our results, the marginalization technique in EnMKF is key to performance improvement with smaller ensembles at any fixed time.

stat.CO↗

arXiv2017

Bayesian inferences of the thermal properties of a wall using temperature and heat flux measurements

The assessment of the thermal properties of walls is essential for accurate building energy simulations that are needed to make effective energy-saving policies. These properties are usually investigated through in-situ measurements of temperature and heat flux over extended time periods. The one-dimensional heat equation with unknown Dirichlet boundary conditions is used to model the heat transfer process through the wall. In [F. Ruggeri, Z. Sawlan, M. Scavino, R. Tempone, A hierarchical Bayesian setting for an inverse problem in linear parabolic PDEs with noisy boundary conditions, Bayesian Analysis 12 (2) (2017) 407--433], it was assessed the uncertainty about the thermal diffusivity parameter using different synthetic data sets. In this work, we adapt this methodology to an experimental study conducted in an environmental chamber, with measurements recorded every minute from temperature probes and heat flux sensors placed on both sides of a solid brick wall over a five-day period. The observed time series are locally averaged, according to a smoothing procedure determined by the solution of a criterion function optimization problem, to fit the required set of noise model assumptions. Therefore, after preprocessing, we can reasonably assume that the temperature and the heat flux measurements have stationary Gaussian noise and we can avoid working with full covariance matrices. The results show that our technique reduces the bias error of the estimated parameters when compared to other approaches. Finally, we compute the information gain under two experimental setups to recommend how the user can efficiently determine the duration of the measurement campaign and the range of the external temperature oscillation.

stat.AP↗

arXiv2015

Bayesian inference and model comparison for metallic fatigue data

In this work, we present a statistical treatment of stress-life (S-N) data drawn from a collection of records of fatigue experiments that were performed on 75S-T6 aluminum alloys. Our main objective is to predict the fatigue life of materials by providing a systematic approach to model calibration, model selection and model ranking with reference to S-N data. To this purpose, we consider fatigue-limit models and random fatigue-limit models that are specially designed to allow the treatment of the run-outs (right-censored data). We first fit the models to the data by maximum likelihood methods and estimate the quantiles of the life distribution of the alloy specimen. To assess the robustness of the estimation of the quantile functions, we obtain bootstrap confidence bands by stratified resampling with respect to the cycle ratio. We then compare and rank the models by classical measures of fit based on information criteria. We also consider a Bayesian approach that provides, under the prior distribution of the model parameters selected by the user, their simulation-based posterior distributions. We implement and apply Bayesian model comparison methods, such as Bayes factor ranking and predictive information criteria based on cross-validation techniques under various a priori scenarios.

stat.CO↗

arXiv2015

A hierarchical Bayesian setting for an inverse problem in linear parabolic PDEs with noisy boundary conditions

In this work we develop a Bayesian setting to infer unknown parameters in initial-boundary value problems related to linear parabolic partial differential equations. We realistically assume that the boundary data are noisy, for a given prescribed initial condition. We show how to derive the joint likelihood function for the forward problem, given some measurements of the solution field subject to Gaussian noise. Given Gaussian priors for the time-dependent Dirichlet boundary values, we analytically marginalize the joint likelihood using the linearity of the equation. Our hierarchical Bayesian approach is fully implemented in an example that involves the heat equation. In this example, the thermal diffusivity is the unknown parameter. We assume that the thermal diffusivity parameter can be modeled a priori through a lognormal random variable or by means of a space-dependent stationary lognormal random field. Synthetic data are used to test the inference. We exploit the behavior of the non-normalized log posterior distribution of the thermal diffusivity. Then, we use the Laplace method to obtain an approximated Gaussian posterior and therefore avoid costly Markov Chain Monte Carlo computations. Expected information gains and predictive posterior densities for observable quantities are numerically estimated using Laplace approximation for different experimental setups.

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