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Giovanni Samaey

Publications and source records attributed to Giovanni Samaey.

At least 19 recordsLinked to original sources

Convergence of a single-ensemble multilevel scheme for McKean-Vlasov SDEs

Numerically solving McKean-Vlasov stochastic differential equations is computationally challenging due to the compounding costs of discretizing in time and in the distribution of the solution. Multilevel ideas have been proposed to provide speed-ups. In this work, we study the multilevel Monte Carlo method proposed by Ricketson (2015) for equations whose drift and diffusion terms depend on the law of the solution $X_t$ through the expectation $E[R(X_t)]$. The scheme follows the single-ensemble paradigm, where particles interact across levels at each timestep. While cross-level feedback makes this scheme attractive in practice, the correlations it introduces have so far confined its cost-error analysis to a model problem with linear drift, deterministic diffusion, and $R$ the identity. We use additional coarse particles to enforce geometrically decaying coupling errors towards the coarser levels. This allows us to prove our main contribution, an $L^p$-error of $O(ε)$ at cost $O(ε^{-2-δ})$ for any $p\ge2$ and $δ>0$ (with a constant that grows as $δ\to0$), assuming only global Lipschitz bounds on the drift, the diffusion, and $R$. An exploratory experiment is consistent with the derived rates and suggests that in practice the constant does not grow significantly for small $δ$. Our methodology and proof strategy may also be useful for other single-ensemble multilevel schemes, such as multilevel ensemble Kalman filters.

math.NA

A noise-robust Monte Carlo method for electric field calculations in EMC3

EMC3 is a state-of-the-art 3D Monte Carlo code for plasma edge transport in stellarator configurations, but it does not yet treat the $E \times B$ drift self-consistently. Computing the drift requires the electric field $E = -\nabla φ$, and hence an accurate gradient of the electric potential $φ$. Because the plasma fields produced by EMC3 are inherently noisy, the finite difference approximation used previously amplifies this noise, increasingly so as the grid is refined. We extend the Monte Carlo Gradient Approximation method, originally developed for 1D Fokker--Planck equations, to a 2D setting and apply it to the electric potential. For an isotropic diffusion coefficient, we derive a PDE governing the evolution of the electric field itself, which allows $E$ to be approximated directly by a Monte Carlo simulation, avoiding finite differences altogether. A numerical experiment based on manufactured solutions demonstrates the accuracy of the method and shows that the variance grows substantially more slowly under grid refinement than for finite differences. The resulting formulation contains a source term involving the second poloidal derivative of the potential, which we neglect. This is admissible only when the radial scale of the plasma edge is thin compared to the poloidal variation scale, an ordering expected to fail near X-points, during detachment, and in island divertors such as W7-X. The present work should therefore be regarded as a proof of concept rather than a general electric field solver for EMC3.

math.NA

Mean-Field Model for Two-Layer Neural Networks Trained with Consensus-Based Optimization

We study Consensus-Based Optimization (CBO) for two-layer neural network training. We compare the performance of CBO against Adam on two test cases and demonstrate how a hybrid approach, combining CBO with Adam, provides faster convergence than CBO. Additionally, in the context of multi-task learning, we recast CBO into a formulation that offers less memory overhead. The CBO method allows for a mean-field model formulation, which we couple with the mean-field model of the neural network. To this end, we first reformulate CBO within the optimal transport framework. As the number of particles tends to infinity, we lift the corresponding dynamics to the Wasserstein-over-Wasserstein space and show that the variance decreases monotonically. We confirm numerically that both mean-field models converge.

cs.LG

A kinetic-diffusion Monte Carlo-based particle-level fluid-kinetic decomposition for neutral transport simulations

Neutrals in the plasma edge are commonly modeled by kinetic equations, with quantities of interest given by macroscopic quantities such as density, velocity, and temperature. In reactor-relevant regimes, fully kinetic descriptions solved by Monte Carlo (MC) methods, although accurate, become computationally expensive, whereas fluid-limit approximations are computationally more efficient but may lose accuracy due to boundary effects or low-collisional regimes. Hybrid fluid-kinetic approaches aim to combine the strengths of both descriptions. However, existing simulation methods face challenges, including interface handling in domain decomposition, unphysical assumptions, and iterative coupling in distribution decomposition. In this work, we propose a distribution-decomposition hybrid model constructed at the particle level based on the kinetic-diffusion Monte Carlo (KDMC) method. The model inherits key properties of KDMC: it is asymptotic-preserving and does not require iterative coupling between the fluid and kinetic components. To improve the accuracy of the fluid-part quantities estimation, a Navier-Stokes-type fluid system is derived via Hilbert-Chapman-Enskog expansions, tailored for KDMC. In the considered one-dimensional tests, the resulting fluid system has comparable accuracy to the AFN model used in SOLPS-ITER while requiring substantially fewer nonlinear iterations. Additionally, a tunable reflective boundary condition is introduced that allows balancing accuracy and efficiency. The model exhibits at least 500 times speedup over the kinetic MC, while maintaining relative L2 errors around 10% in a charge exchange (CX)-dominant test case. In non-CX-dominant regimes, the accuracy becomes increasingly sensitive to boundary treatment due to the inherent limitations of the fluid approximation near the boundary, motivating further refinement of the KDMC boundary conditions.

cs.CE

A semi-Lagrangian method for the polyatomic ESBGK model

Polyatomic kinetic models are essential for accurately capturing the thermodynamic behavior of real gases, as internal energy modes significantly influence transport coefficients, relaxation processes, and non-equilibrium effects that cannot be represented by monoatomic models. The polyatomic ESBGK model describes molecular collisions as a relaxation towards a generalized Gaussian distribution with an anisotropic covariance matrix and an exponentially decaying internal energy distribution. We present a new semi-Lagrangian scheme for the polyatomic Ellipsoidal Statistical BGK (ESBGK) model of the Boltzmann equation. The semi-Lagrangian framework, being deterministic and grid-based, removes the time-step restriction associated with the linear transport term by following the method of characteristics. The potentially stiff relaxation term is treated using an implicit A-stable linear multistep method which, owing to the structure of the BGK operator, can be reformulated into a cheap time-stepping scheme. This yields a highly efficient and numerically stable method. The numerical method is asymptotic preserving and stiffly accurate, meaning the scheme asymptotically converges to a scheme for the Euler equations in the vanishing Knudsen limit. In addition, we prove that the first-order scheme, asymptotically converges to the compressible Navier-Stokes equation with correct transport coefficients. Finally, we propose inflow and outflow boundary conditions suitable for BGK-type kinetic equations. We perform simulations of the Fourier and Couette test case to compare the BGK model with Direct Simulation Monte Carlo (DSMC). To conclude, we demonstrate the method on a challenging orifice flow test case with moving boundaries.

math.NA

A localized consensus-based sampling algorithm

We propose a localized consensus-based method for sampling from non-Gaussian distributions, a task that frequently arises when solving Bayesian inverse problems. Our method arises from an alternative derivation of consensus-based sampling (CBS). Starting from ensemble-preconditioned Langevin dynamics, we replace the potential by its Moreau envelope -- a smoother approximation -- in order to replace the gradient in the Langevin equation with a proximal operator. We then approximate this operator by a weighted mean. In the limit of infinitely smoothing the potential to a quadratic function, this procedure recovers the standard CBS dynamics. In addition, outside this limit, we retrieve a refined variant of polarized CBS. We call the resulting algorithm localized consensus-based sampling, since particles interact more with nearby particles than with faraway ones. Our method is affine-invariant, exact for Gaussian targets in the mean-field limit, and demonstrates improved robustness over polarized CBS in numerical experiments. Like other consensus-based methods, localized CBS is gradient-free and easily parallelizable.

math.NA

Collective Annealing by Switching Temperatures: a Boltzmann-type description

The design of effective cooling strategies is a crucial component in simulated annealing algorithms based on the Metropolis method. Traditionally, this is achieved through inverse logarithmic decays of the temperature to ensure convergence to global minima. In this work, we propose Collective Annealing by Switching Temperatures ({CAST}), a novel collective simulated annealing dynamic in which agents interact to learn an adaptive cooling schedule. Inspired by the particle-swapping mechanism of parallel tempering, we introduce a Boltzmann-type framework in which particles exchange temperatures through stochastic binary interactions. Under suitable conditions on the interaction parameters, this process induces a monotone decrease of the expected average temperature in the system. Numerical results indicate that the proposed approach can improve convergence speed over classical simulated annealing on multimodal benchmark problems, especially in regimes where adaptive exploration is important.

math.OC

A meshless MUSCL method for the BGK-Boltzmann equation

We present a numerical method for simulating rarefied gases that interact with moving boundaries and rigid bodies. The gas is described by the BGK equation in Lagrangian form and solved using an Arbitrary Lagrangian-Eulerian method, in which grid points move with the local mean velocity of the gas. The main advantage of the moving grid is that the algorithm can deal well with cases where the domain boundaries are time-dependent and the simulation domain contains rigid objects. Due to the irregular nature of the grid, we use a novel meshless MUSCL-like Moving Least Squares Method (MLS) for spatial discretisation coupled with a higher-order Implicit-Explicit Runge-Kutta method. To avoid spurious oscillations at discontinuities, we use the so-called Multi-dimensional Optimal Order Detection (MOOD) method with an adapted criterion to relax the discrete maximum property. Finally, we employ a new implementation of the boundary conditions that requires no iterative or extrapolation procedure. The method achieves fourth-order in 1D and second-order in 2D for simulations with moving boundaries. We demonstrate the method's effectiveness on classical test cases such as the driven square cavity, shear layer, and shock tube.

math.NA

Water-at-Rest Equilibrium Stability Analysis of a first-moment Shallow Water Exner Moment Model with Sediment Entrainment and Deposition: Extended Technical Report

We derive the first-moment Shallow Water Exner Moment model with sediment entrainment and deposition (SWEMED1) and show that the full source term has a fully-settled water-at-rest equilibrium manifold. We prove that the model is only weakly hyperbolic at this equilibrium, which prevents the use of Yong's structural stability framework. However, a linear spectral analysis and numerical results do not indicate instability. Based on numerical results, we introduce a fast-slow scaling of the source term, and for the fast limit, we derive a new suspended water-at-rest equilibrium manifold, which has a different structure but is still only weakly hyperbolic. Our results show that the remaining obstruction is linked to the transport closure of the SWEMED1, and we give a constructive direction for the derivation of new closures leading to models with more desirable analytical properties.

math.AP

Comparison of random field discretizations for high-resolution Bayesian parameter identification in finite element elasticity

We compare three random field discretization strategies for probabilistic identification of spatially varying material parameters in high-resolution finite element models. These strategies are (i) the Karhunen-Loève expansion, (ii) a wavelet expansion, and (iii) local average subdivision. The methods are assessed in the context of multilevel Markov chain Monte Carlo applied to plane stress elasticity with high-resolution displacement observations. Emphasis is placed on numerical efficiency, initialization cost, Markov chain mixing, and cost-to-error behaviour as the discretization resolution increases. While all approaches yield comparable posterior estimates, significant differences are observed in multilevel variance reduction and sampling efficiency. In particular, local average subdivision exhibits improved mixing and lower cost-to-error ratios at fine resolutions, despite its higher nominal parameter dimension. The results provide practical guidance for selecting stochastic field representations in uncertainty quantification in finite element simulations of heterogeneous materials.

math.NA

A Hyperbolic Moment Based Shallow Water Model for Coupled Bedload Suspended Load Morphodynamics with Variable Density

In this paper, we develop the Hyperbolic Shallow Water Exner Moment model with Erosion and Deposition (HSWEMED), extending the shallow water moment framework to capture coupled morphodynamics with erosion and deposition. HSWEMED introduces a suspended-sediment concentration equation, couples concentration-dependent mixture density with the momentum and higher-order moment equations, and includes source terms due to erosion and deposition. Starting from the incompressible Navier-Stokes equations for a water-sediment mixture, we derive a coupled system consisting of the shallow water equations, moment equations for polynomial velocity coefficients, a depth-averaged suspended-sediment equation, and an Exner equation for bedload transport with erosion-deposition coupling. Although the transported scalar is depth-averaged, we reconstruct a low-order vertical concentration profile consistent with the moment representation of velocity, providing the near-bed concentration needed in the closure. We prove hyperbolicity through hyperbolic regularization and derive dissipative energy balance relations for lower-order models. Numerical results are obtained with a path-conservative finite-volume scheme based on a Lax-Friedrichs-type flux. Several dam-break tests, including wet/dry front cases, are validated against laboratory experiments, showing improved accuracy over existing shallow water moment models. The proposed HSWEMED provides a mathematically well-posed and computationally efficient framework for morphodynamic simulations.

math.NA

Markov chain Monte Carlo for Bayesian inference of the non-conducting region in intra-atrial reentrant tachycardia

We present a Bayesian approach to estimate the parameters of mathematical models of cardiac electrophysiology with quantified uncertainty. Such models capture the dynamics of the electrical signal that coordinates the muscle cell contraction in the heart wall and can support cardiac arrhythmia treatment. We consider an illustrative case motivated by a cardiac arrhythmia, namely, by intra-atrial reentrant tachycardia. We estimate a low-dimensional geometrical parameter that describes the boundary of an electrically non-conducting region in the heart tissue from synthetic electrical measurements outside of the tissue. Instead of relying on a deterministic fit for this region, we estimate a posterior distribution on the geometrical parameter using Bayesian inference that captures the uncertainty due to measurement errors. We propose a likelihood based on a set of quantities that characterize the data for improved accuracy. To efficiently approximate the posterior distribution, we propose a compressed likelihood function and an adapted Metropolis-Hastings (MH) algorithm. We obtain an algorithm that strongly decreases the number of samples by using an adaptive proposal strategy. Our algorithm also gives attention to the impact of discretization errors on inference outcomes, as these introduce artificial discontinuities in the posterior if not properly addressed. We account for discretization errors in the likelihood and in the accept-reject step of our adapted MH algorithm to improve the robustness of our estimates and to further increase the sampling efficiency. All of these elements combined give us a method that efficiently estimates the non-conducting parameters with uncertainty. We perform several experiments with different amounts of measurement noise and illustrate how this translates into the posterior distributions.

math.NA

2D implementation of Kinetic-diffusion Monte Carlo in Eiron

Particle-based kinetic Monte Carlo simulations of neutral particles is one of the major computational bottlenecks in tokamak scrape-off layer simulations. This computational cost comes from the need to resolve individual collision events in high-collisional regimes. However, in such regimes, one can approximate the high-collisional kinetic dynamics with computationally cheaper diffusion. Asymptotic-preserving schemes make use of this limit to perform simulations in these regimes, without a blow-up in computational cost as incurred by standard kinetic approaches. One such scheme is Kinetic-diffusion Monte Carlo. In this paper, we present a first extension of this scheme to the two-dimensional setting and its implementation in the Eiron particle code. We then demonstrate that this implementation produces a significant speedup over kinetic simulations in high-collisional cases.

cs.CE

Analysis of kinetic-diffusion Monte Carlo simulation and source term estimation scheme in nuclear fusion applications

In plasma edge simulations, the behavior of neutral particles is often described by a Boltzmann--BGK equation. Solving this kinetic equation and estimating the moments of its solution are essential tasks, typically carried out using Monte Carlo (MC) methods. However, for large-sized reactors, like ITER and DEMO, high collision rates lead to a substantial computational cost. To accelerate the calculation, an asymptotic-preserving kinetic-diffusion Monte Carlo (KDMC) simulation method (Mortier et al., SIAM J. Sci. Comput., 2022) and a corresponding fluid estimation technique (Mortier et al., Contrib. Plasma Phys., 2022) have recently been proposed. In this work, we present a comprehensive analysis of the convergence of KDMC combined with the associated fluid estimation. The analysis consists of proving theoretical upper bounds for both KDMC and the fluid estimation, and numerical verifications of these bounds. In addition, we compare the analyzed algorithm with a purely fluid-based method using the fully kinetic MC method as a reference. The algorithm consistently achieves lower error than the fluid-based method, and even one order of magnitude lower in a fusion-relevant test case. Moreover, the algorithm exhibits a significant speedup compared to the reference kinetic MC method. Overall, our analysis confirms the effectiveness of KDMC with the associated fluid estimation in nuclear fusion applications.

math.NA

Monte-Carlo/Moments micro-macro Parareal method for unimodal and bimodal scalar McKean-Vlasov SDEs

We propose a micro-macro parallel-in-time Parareal method for scalar McKean-Vlasov stochastic differential equations (SDEs). In the algorithm, the fine Parareal propagator is a Monte Carlo simulation of an ensemble of particles, while an approximate ordinary differential equation (ODE) description of the mean and the variance of the particle distribution is used as a coarse Parareal propagator to achieve speedup. We analyse the convergence behaviour of our method for a linear problem and provide numerical experiments indicating the parallel weak scaling of the algorithm on a set of examples. We show, with numerical experiments, that convergence typically takes place in a low number of iterations, depending on the quality of the ODE predictor. For bimodal SDEs, we avoid quality deterioration of the coarse predictor (compared to unimodal SDEs) through the usage of multiple ODEs, each describing the mean and variance of the particle distribution in locally unimodal regions of the phase space. The benefit of the proposed algorithm can be viewed through two lenses: (i) through the parallel-in-time lens, speedup is obtained through the use of a very cheap coarse integrator (an ODE moment model), and (ii) through the moment models lens, accuracy is iteratively gained through the use of parallel machinery as a corrector. In contrast to the isolated use of a moment model, the proposed method (iteratively) converges to the true distribution generated by the SDE.

math.NA

Higher-order meshless schemes for hyperbolic equations

We discuss the order, efficiency, stability and positivity of several meshless schemes for linear scalar hyperbolic equations. Meshless schemes are Generalised Finite Difference Methods (GFDMs) for arbitrary irregular grids in which there is no connectivity between the grid points. We propose a new MUSCL-like meshless scheme that uses a central stencil, with which we can achieve arbitrarily high orders, and compare it to existing meshless upwind schemes and meshless WENO schemes. The stability of the newly proposed scheme is guaranteed by an upwind reconstruction to the midpoints of the stencil. The new meshless MUSCL scheme is also efficient due to the reuse of the GFDM solution in the reconstruction. We combine the new MUSCL scheme with a Multi-dimensional Optimal Order Detection (MOOD) procedure to avoid spurious oscillations at discontinuities. In one spatial dimension, our fourth order MUSCL scheme outperforms existing WENO and upwind schemes in terms of stability and accuracy. In two spatial dimensions, our MUSCL scheme achieves similar accuracy to an existing WENO scheme but is significantly more stable.

math.NA

Numerical analysis of fluid estimation for source terms in neutral particles simulation

In plasma edge simulations, kinetic Monte Carlo (MC) is often used to simulate neutral particles and estimate source terms. For large-sized reactors, like ITER and DEMO, high particle collision rates lead to a substantial computational cost for such schemes. To address this challenge, an asymptotic-preserving kinetic-diffusion Monte Carlo (KDMC) simulation method and a corresponding fluid estimation technique have been proposed in the literature. In this work, we perform numerical analysis on the convergence of KDMC with the fluid estimation. To do so, we compare the accuracy of the analyzed algorithm with the accuracy of an approximate fluid method using the kinetic MC method as a reference. In a one-dimensional test case, KDMC with the fluid estimation achieves at least one order of magnitude lower errors than the fluid method for both high- and low-collisional regimes. Moreover, KDMC with the fluid estimation outperforms the kinetic MC method with a clear speed-up. Overall, our analysis confirms the effectiveness of the discussed algorithm.

cs.CE

Fluid boundary conditions in kinetic-diffusion Monte Carlo

The Kinetic-Diffusion Monte Carlo (KDMC) method is a powerful tool for simulating neutral particles in fusion reactors. It is a hybrid fluid-kinetic method that is significantly faster than pure kinetic methods at the cost of a small bias due to fluid approximations. Unfortunately, when simulating particles close to a boundary, it needs to switch to a purely kinetic method, which is significantly slower. In this paper, we will extend the method so that it can accurately take boundary conditions into account without switching to a purely kinetic method. Experiments show that this extension can lead to a speedup of up to 500 times compared to a KDMC method that switches to a purely kinetic method, while not sacrificing too much accuracy.

math.NA