InVAErt networks: a data-driven framework for emulation, inference and identifiability analysis

Use of generative models and deep learning for physics-based systems is currently dominated by the task of emulation. However, the remarkable flexibility offered by data-driven architectures would suggest to extend this representation to other aspects of system synthesis including model inversion and identifiability. We introduce inVAErt (pronounced \emph{invert}) networks, a comprehensive framework for data-driven analysis and synthesis of parametric physical systems which uses a deterministic encoder and decoder to represent the forward and inverse solution maps, normalizing flow to capture the probabilistic distribution of system outputs, and a variational encoder designed to learn a compact latent representation for the lack of bijectivity between inputs and outputs. We formally investigate the selection of penalty coefficients in the loss function and strategies for latent space sampling, since we find that these significantly affect both training and testing performance. We validate our framework through extensive numerical examples, including simple linear, nonlinear, and periodic maps, dynamical systems, and spatio-temporal PDEs

LINFA: a Python library for variational inference with normalizing flow and annealing

Variational inference is an increasingly popular method in statistics and machine learning for approximating probability distributions. We developed LINFA (Library for Inference with Normalizing Flow and Annealing), a Python library for variational inference to accommodate computationally expensive models and difficult-to-sample distributions with dependent parameters. We discuss the theoretical background, capabilities, and performance of LINFA in various benchmarks. LINFA is publicly available on GitHub at https://github.com/desResLab/LINFA

Uncertainty quantification in virtual surgery hemodynamics predictions for single ventricle palliation.

International audienceThe adoption of simulation tools to predict surgical outcomes is increasingly leading to questions about the variability of these predictions in the presence of uncertainty associated with the input clinical data. In the present study, we propose a methodology for full propagation of uncertainty from clinical data to model results that, unlike deterministic simulation, enables estimation of the confidence associated with model predictions.We illustrate this problem in a virtual stage II single ventricle palliation surgery example. First, probability density functions (PDFs) of right pulmonary artery (PA) flow split ratio and average pulmonary pressure are determined from clinical measurements, complemented by literature data. Starting from a zero dimensional semi-empirical approximation, Bayesian parameter estimation is used to find the distributions of boundary conditions that produce the expected PA flow split and average pressure PDFs as pre-operative model results. To reduce computational cost, this inverse problem is solved using a Kriging approximant. Second, uncertainties in the boundary conditions are propagated to simulation predictions. Sparse grid stochastic collocation is employed to statistically characterize model predictions of post-operative hemodynamics in models with and without PA stenosis. The results quantify the statistical variability in virtual surgery predictions, allowing for placement of confidence intervals on simulation outputs

Uncertainty quantification in virtual surgery hemodynamics predictions for single ventricle palliation.

International audienceThe adoption of simulation tools to predict surgical outcomes is increasingly leading to questions about the variability of these predictions in the presence of uncertainty associated with the input clinical data. In the present study, we propose a methodology for full propagation of uncertainty from clinical data to model results that, unlike deterministic simulation, enables estimation of the confidence associated with model predictions.We illustrate this problem in a virtual stage II single ventricle palliation surgery example. First, probability density functions (PDFs) of right pulmonary artery (PA) flow split ratio and average pulmonary pressure are determined from clinical measurements, complemented by literature data. Starting from a zero dimensional semi-empirical approximation, Bayesian parameter estimation is used to find the distributions of boundary conditions that produce the expected PA flow split and average pressure PDFs as pre-operative model results. To reduce computational cost, this inverse problem is solved using a Kriging approximant. Second, uncertainties in the boundary conditions are propagated to simulation predictions. Sparse grid stochastic collocation is employed to statistically characterize model predictions of post-operative hemodynamics in models with and without PA stenosis. The results quantify the statistical variability in virtual surgery predictions, allowing for placement of confidence intervals on simulation outputs