In this work, we study and extend a class of semi-Lagrangian exponential methods, which combine exponential time integration techniques, suitable for integrating stiff linear terms, with a semi-Lagrangian treatment of nonlinear advection terms. Partial differential equations involving both processes arise for instance in atmospheric circulation models. Through a truncation error analysis, we first show that previously formulated semi-Lagrangian exponential schemes are limited to first-order accuracy due to the discretization of the linear term; we then formulate a new discretization leading to a second-order accurate method. Also, a detailed stability study, both considering a linear stability analysis and an empirical simulation-based one, is conducted to compare several Eulerian and semi-Lagrangian exponential schemes, as well as a well-established semi-Lagrangian semi-implicit method, which is used in operational atmospheric models. Numerical simulations of the shallow-water equations on the rotating sphere, considering standard and challenging benchmark test cases, are performed to assess the orders of convergence, stability properties, and computational cost of each method. The proposed second-order semi-Lagrangian exponential method was shown to be more stable and accurate than the previously formulated schemes of the same class at the expense of larger wall-clock times; however, the method is more stable and has a similar cost compared to the well-established semi-Lagrangian semi-implicit; therefore, it is a competitive candidate for potential operational applications in atmospheric circulation modeling.
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In recent years, explainable methods for artificial intelligence (XAI) have tried to reveal and describe models' decision mechanisms in the case of classification tasks. However, XAI for semantic segmentation and in particular for single instances has been little studied to date. Understanding the process underlying automatic segmentation of single instances is crucial to reveal what information was used to detect and segment a given object of interest. In this study, we proposed two instance-level explanation maps for semantic segmentation based on SmoothGrad and Grad-CAM++ methods. Then, we investigated their relevance for the detection and segmentation of white matter lesions (WML), a magnetic resonance imaging (MRI) biomarker in multiple sclerosis (MS). 687 patients diagnosed with MS for a total of 4043 FLAIR and MPRAGE MRI scans were collected at the University Hospital of Basel, Switzerland. Data were randomly split into training, validation and test sets to train a 3D U-Net for MS lesion segmentation. We observed 3050 true positive (TP), 1818 false positive (FP), and 789 false negative (FN) cases. We generated instance-level explanation maps for semantic segmentation, by developing two XAI methods based on SmoothGrad and Grad-CAM++. We investigated: 1) the distribution of gradients in saliency maps with respect to both input MRI sequences; 2) the model's response in the case of synthetic lesions; 3) the amount of perilesional tissue needed by the model to segment a lesion. Saliency maps (based on SmoothGrad) in FLAIR showed positive values inside a lesion and negative in its neighborhood. Peak values of saliency maps generated for these four groups of volumes presented distributions that differ significantly from one another, suggesting a quantitative nature of the proposed saliency. Contextual information of 7mm around the lesion border was required for their segmentation.
A procedure for multiple testing of partial conjunction hypotheses based on a hazard rate inequality
The partial conjunction null hypothesis is tested in order to discover a signal that is present in multiple studies. The standard approach of carrying out a multiple test procedure on the partial conjunction (PC) $p$-values can be extremely conservative. We suggest alleviating this conservativeness, by eliminating many of the conservative PC $p$-values prior to the application of a multiple test procedure. This leads to the following two step procedure: first, select the set with PC $p$-values below a selection threshold; second, within the selected set only, apply a family-wise error rate or false discovery rate controlling procedure on the conditional PC $p$-values. The conditional PC $p$-values are valid if the null p-values are uniform and the combining method is Fisher. The proof of their validity is based on a novel inequality in hazard rate order of partial sums of order statistics which may be of independent interest. We also provide the conditions for which the false discovery rate controlling procedures considered will be below the nominal level. We demonstrate the potential usefulness of our novel method, CoFilter (conditional testing after filtering), for analyzing multiple genome wide association studies of Crohn's disease.
Using validated numerical methods, interval arithmetic and Taylor models, we propose a certified predictor-corrector loop for tracking zeros of polynomial systems with a parameter. We provide a Rust implementation which shows tremendous improvement over existing software for certified path tracking.
We consider Maxwell eigenvalue problems on uncertain shapes with perfectly conducting TESLA cavities being the driving example. Due to the shape uncertainty the resulting eigenvalues and eigenmodes are also uncertain and it is well known that the eigenvalues may exhibit crossings or bifurcations under perturbation. We discuss how the shape uncertainties can be modelled using the domain mapping approach and how the deformation mapping can be expressed as coefficients in Maxwell's equations. Using derivatives of these coefficients and derivatives of the eigenpairs, we follow a perturbation approach to compute approximations of mean and covariance of the eigenpairs. For small perturbations these approximations are faster and more accurate than sampling or surrogate model strategies. For the implementation we use an approach based on isogeometric analysis, which allows for straightforward modelling of the domain deformations and computation of the required derivatives. Numerical experiments for a three-dimensional 9-cell TESLA cavity are presented.
In these notes we propose and analyze an inertial type method for obtaining stable approximate solutions to nonlinear ill-posed operator equations. The method is based on the Levenberg-Marquardt (LM) iteration. The main obtained results are: monotonicity and convergence for exact data, stability and semi-convergence for noisy data. Regarding numerical experiments we consider: i) a parameter identification problem in elliptic PDEs, ii) a parameter identification problem in machine learning; the computational efficiency of the proposed method is compared with canonical implementations of the LM method.
In this paper, we propose a local squared Wasserstein-2 (W_2) method to solve the inverse problem of reconstructing models with uncertain latent variables or parameters. A key advantage of our approach is that it does not require prior information on the distribution of the latent variables or parameters in the underlying models. Instead, our method can efficiently reconstruct the distributions of the output associated with different inputs based on empirical distributions of observation data. We demonstrate the effectiveness of our proposed method across several uncertainty quantification (UQ) tasks, including linear regression with coefficient uncertainty, training neural networks with weight uncertainty, and reconstructing ordinary differential equations (ODEs) with a latent random variable.
In this study, a novel semi-implicit second-order temporal scheme combined with the finite element method for space discretization is proposed to solve the coupled system of infiltration and solute transport in unsaturated porous media. The Richards equation is used to describe unsaturated flow, while the advection-dispersion equation (ADE) is used for modeling solute transport. The proposed approach is used to linearize the system of equations in time, eliminating the need of iterative processes. A free parameter is introduced to ensure the stability of the scheme. Numerical tests are conducted to analyze the accuracy of the proposed method in comparison with a family of second-order iterative schemes. The proposed numerical technique based on the optimal free parameter is accurate and performs better in terms of efficiency since it offers a considerable gain in computational time compared to the other methods. For reliability and effectiveness evaluation of the developed semi-implicit scheme, four showcase scenarios are used. The first two numerical tests focus on modeling water flow in heterogeneous soil and transient flow in variably saturated zones. The last numerical tests are carried out to simulate the salt and nitrate transport through unsaturated soils. The simulation results are compared with reference solutions and laboratory data, and demonstrate the effectiveness of the proposed scheme in simulating infiltration and solute transport through unsaturated soils.
In this paper, we study the semiclassical Schr\"odinger equation with random parameters and develop several robust multi-fidelity methods. We employ the time-splitting Fourier pseudospectral (TSFP) method for the high-fidelity solver, and consider different low-fidelity solvers including the meshless method like frozen Gaussian approximation (FGA) and the level set (LS) method for the semiclassical limit of the Schr\"odinger equation. With a careful choice of the low-fidelity model, we obtain an error estimate for the bi-fidelity method. We conduct numerous numerical experiments and validate the accuracy and efficiency of our proposed multi-fidelity methods, by comparing the performance of a class of bi-fidelity and tri-fidelity approximations.
In this paper, we introduce the notion of surjective radical parametrization and we prove sufficient conditions for a radical curve parametrization to be surjective.
In this paper, we introduce the neural empirical interpolation method (NEIM), a neural network-based alternative to the discrete empirical interpolation method for reducing the time complexity of computing the nonlinear term in a reduced order model (ROM) for a parameterized nonlinear partial differential equation. NEIM is a greedy algorithm which accomplishes this reduction by approximating an affine decomposition of the nonlinear term of the ROM, where the vector terms of the expansion are given by neural networks depending on the ROM solution, and the coefficients are given by an interpolation of some "optimal" coefficients. Because NEIM is based on a greedy strategy, we are able to provide a basic error analysis to investigate its performance. NEIM has the advantages of being easy to implement in models with automatic differentiation, of being a nonlinear projection of the ROM nonlinearity, of being efficient for both nonlocal and local nonlinearities, and of relying solely on data and not the explicit form of the ROM nonlinearity. We demonstrate the effectiveness of the methodology on solution-dependent and solution-independent nonlinearities, a nonlinear elliptic problem, and a nonlinear parabolic model of liquid crystals.
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