The native form of thePlasmodium falciparum Pf68 neutral proteinase is a 105,000-Da polypeptide

International audienc

A weighted reduced basis method for parabolic PDEs with random data

This work considers a weighted POD-greedy method to estimate statistical outputs parabolic PDE problems with parametrized random data. The key idea of weighted reduced basis methods is to weight the parameter-dependent error estimate according to a probability measure in the set-up of the reduced space. The error of stochastic finite element solutions is usually measured in a root mean square sense regarding their dependence on the stochastic input parameters. An orthogonal projection of a snapshot set onto a corresponding POD basis defines an optimum reduced approximation in terms of a Monte Carlo discretization of the root mean square error. The errors of a weighted POD-greedy Galerkin solution are compared against an orthogonal projection of the underlying snapshots onto a POD basis for a numerical example involving thermal conduction. In particular, it is assessed whether a weighted POD-greedy solutions is able to come significantly closer to the optimum than a non-weighted equivalent. Additionally, the performance of a weighted POD-greedy Galerkin solution is considered with respect to the mean absolute error of an adjoint-corrected functional of the reduced solution.Comment: 15 pages, 4 figure

Active learning by acquiring contrastive examples

Common acquisition functions for active learning use either uncertainty or diversity sampling, aiming to select difficult and diverse data points from the pool of unlabeled data, respectively. In this work, leveraging the best of both worlds, we propose an acquisition function that opts for selecting contrastive examples, i.e. data points that are similar in the model feature space and yet the model outputs maximally different predictive likelihoods. We compare our approach, CAL (Contrastive Active Learning), with a diverse set of acquisition functions in four natural language understanding tasks and seven datasets. Our experiments show that CAL performs consistently better or equal than the best performing baseline across all tasks, on both in-domain and out-of-domain data. We also conduct an extensive ablation study of our method and we further analyze all actively acquired datasets showing that CAL achieves a better trade-off between uncertainty and diversity compared to other strategies

Model Order Reduction for Rotating Electrical Machines

The simulation of electric rotating machines is both computationally expensive and memory intensive. To overcome these costs, model order reduction techniques can be applied. The focus of this contribution is especially on machines that contain non-symmetric components. These are usually introduced during the mass production process and are modeled by small perturbations in the geometry (e.g., eccentricity) or the material parameters. While model order reduction for symmetric machines is clear and does not need special treatment, the non-symmetric setting adds additional challenges. An adaptive strategy based on proper orthogonal decomposition is developed to overcome these difficulties. Equipped with an a posteriori error estimator the obtained solution is certified. Numerical examples are presented to demonstrate the effectiveness of the proposed method

A Reduced Order Approach for the Embedded Shifted Boundary FEM and a Heat Exchange System on Parametrized Geometries

A model order reduction technique is combined with an embedded boundary finite element method with a POD-Galerkin strategy. The proposed methodology is applied to parametrized heat transfer problems and we rely on a sufficiently refined shape-regular background mesh to account for parametrized geometries. In particular, the employed embedded boundary element method is the Shifted Boundary Method (SBM), recently proposed in Main and Scovazzi, J Comput Phys [17]. This approach is based on the idea of shifting the location of true boundary conditions to a surrogate boundary, with the goal of avoiding cut cells near the boundary of the computational domain. This combination of methodologies has multiple advantages. In the first place, since the Shifted Boundary Method always relies on the same background mesh, there is no need to update the discretized parametric domain. Secondly, we avoid the treatment of cut cell elements, which usually need particular attention. Thirdly, since the whole background mesh is considered in the reduced basis construction, the SBM allows for a smooth transition of the reduced modes across the immersed domain boundary. The performances of the method are verified in two dimensional heat transfer numerical examples

Reconstructing Haemodynamics Quantities of Interest from Doppler Ultrasound Imaging

The present contribution deals with the estimation of haemodynamics Quantities of Interest by exploiting Ultrasound Doppler measurements. A fast method is proposed, based on the PBDW method. Several methodological contributions are described: a sub-manifold partitioning is introduced to improve the reduced-order approximation, two different ways to estimate the pressure drop are compared, and an error estimation is derived. A test-case on a realistic common carotid geometry is presented, showing that the proposed approach is promising in view of realistic applications.Comment: arXiv admin note: text overlap with arXiv:1904.1336

Schwarz type preconditioners for the neutron diffusion equation

[EN] Domain decomposition is a mature methodology that has been used to accelerate the convergence of partial differential equations. Even if it was devised as a solver by itself, it is usually employed together with Krylov iterative methods improving its rate of convergence, and providing scalability with respect to the size of the problem. In this work, a high order finite element discretization of the neutron diffusion equation is considered. In this problem the preconditioning of large and sparse linear systems arising from a source driven formulation becomes necessary due to the complexity of the problem. On the other hand, preconditioners based on an incomplete factorization are very expensive from the point of view of memory requirements. The acceleration of the neutron diffusion equation is thus studied here by using alternative preconditioners based on domain decomposition techniques inside Schur complement methodology. The study considers substructuring preconditioners, which do not involve overlapping, and additive Schwarz preconditioners, where some overlapping between the subdomains is taken into account. The performance of the different approaches is studied numerically using two-dimensional and three-dimensional problems. It is shown that some of the proposed methodologies outperform incomplete LU factorization for preconditioning as long as the linear system to be solved is large enough, as it occurs for three-dimensional problems. They also outperform classical diagonal Jacobi preconditioners, as long as the number of systems to be solved is large enough in such a way that the overhead of building the pre-conditioner is less than the improvement in the convergence rate. (C) 2016 Elsevier B.V. All rights reserved.The work has been partially supported by the spanish Ministerio de Economía y Competitividad under projects ENE 2014-59442-P and MTM2014-58159-P, the Generalitat Valenciana under the project PROMETEO II/2014/008 and the Universitat Politècnica de València under the project FPI-2013. The work has also been supported partially by the Swedish Research Council (VR-Vetenskapsrådet) within a framework grant called DREAM4SAFER, research contract C0467701.Vidal-Ferràndiz, A.; González Pintor, S.; Ginestar Peiro, D.; Verdú Martín, GJ.; Demazière, C. (2017). Schwarz type preconditioners for the neutron diffusion equation. Journal of Computational and Applied Mathematics. 309:563-574. https://doi.org/10.1016/j.cam.2016.02.056S56357430

Reduced Basis Method for the Stokes Equations in Decomposable Parametrized Domains Using Greedy Optimization

Flow simulations in pipelined channels and several kinds of parametrized configurations have a growing interest in many life sciences and industrial applications. Applications may be found in the analysis of the blood flow in specific compartments of the circulatory system that can be represented as a combination of few deformed vessels from reference ones, e.g. pipes. We propose a solution approach that is particularly suitable for the study of internal flows in hierarchical parametrized geometries. The main motivation is for applications requiring rapid and reliable numerical simulations of problems in domains involving parametrized complex geometries. The classical reduced basis (RB) method is very effective to address viscous flows equations in parametrized geometries (see, e.g., [10]). An interesting alternative foresees a combination of RB with a domain decomposition approach. In this respect, preliminary efforts to reduce the global parametrized problem to local ones have led to the introduction of the so-called reduced basis element method to solve the Stokes problem [6], and more recently to the reduced basis hybrid method [3] and to the static condensation method [7]. In general, we are interested in defining a method able to maintain the flexibility of dealing with arbitrary combinations of subdomains and several geometrical deformations of the latter. A further new contribution to this field is the computation of the reduced basis functions through an optimization greedy algorithm

Approximation of Parametric Derivatives by the Empirical Interpolation Method

We introduce a general a priori convergence result for the approximation of parametric derivatives of parametrized functions. We consider the best approximations to parametric derivatives in a sequence of approximation spaces generated by a general approximation scheme, and we show that these approximations are convergent provided that the best approximation to the function itself is convergent. We also provide estimates for the convergence rates. We present numerical results with spaces generated by a particular approximation scheme—the Empirical Interpolation Method—to confirm the validity of the general theory