Giacomo Dimarco

Giacomo Dimarco, Lorenzo Pareschi

We introduce a class of exponential Runge-Kutta integration methods for kinetic equations. The methods are based on a decomposition of the collision operator into an equilibrium and a non equilibrium part and are exact for relaxation operators of BGK type. For Boltzmann type kinetic equations they work uniformly for a wide range of relaxation times and avoid the solution of nonlinear systems of equations even in stiff regimes. We give sufficient conditions in order that such methods are unconditionally asymptotically stable and asymptotic preserving. Such stability properties are essential to guarantee the correct asymptotic behavior for small relaxation times. The methods also offer favorable properties such as nonnegativity of the solution and entropy inequality. For this reason, as we will show, the methods are suitable both for deterministic as well as probabilistic numerical techniques.

Pierre Degond, Giacomo Dimarco

In the present work, we present a novel numerical algorithm to couple the Direct Simulation Monte Carlo method (DSMC) for the solution of the Boltzmann equation with a finite volume like method for the solution of the Euler equations. Recently we presented in [14],[16],[17] different methodologies which permit to solve fluid dynamics problems with localized regions of departure from thermodynamical equilibrium. The methods rely on the introduction of buffer zones which realize a smooth transition between the kinetic and the fluid regions. In this paper we extend the idea of buffer zones and dynamic coupling to the case of the Monte Carlo methods. To facilitate the coupling and avoid the onset of spurious oscillations in the fluid regions which are consequences of the coupling with a stochastic numerical scheme, we use a new technique which permits to reduce the variance of the particle methods [11]. In addition, the use of this method permits to obtain estimations of the breakdowns of the fluid models less affected by fluctuations and consequently to reduce the kinetic regions and optimize the coupling. In the last part of the paper several numerical examples are presented to validate the method and measure its computational performances.

Giacomo Dimarco, Lorenzo Pareschi

We consider the development of high order asymptotic-preserving linear multistep methods for kinetic equations and related problems. The methods are first developed for BGK-like kinetic models and then extended to the case of the full Boltzmann equation. The behavior of the schemes in the Navier-Stokes regime is also studied and compatibility conditions derived. We show that, compared to IMEX Runge-Kutta methods, the IMEX multistep schemes have several advantages due to the absence of coupling conditions and to the greater computational efficiency. The latter is of paramount importance when dealing with the time discretization of multidimensional kinetic equations.

Giacomo Dimarco, Lorenzo Pareschi

Kinetic equations play a major rule in modeling large systems of interacting particles. Uncertainties may be due to various reasons, like lack of knowledge on the microscopic interaction details or incomplete informations at the boundaries. These uncertainties, however, contribute to the curse of dimensionality and the development of efficient numerical methods is a challenge. In this paper we consider the construction of novel multi-scale methods for such problems which, thanks to a control variate approach, are capable to reduce the variance of standard Monte Carlo techniques.

Giacomo Dimarco, Lorenzo Pareschi

In this note we discuss the construction of high order asymptotic preserving numerical schemes for the Boltzmann equation. The methods are based on the use of Implicit-Explicit (IMEX) Runge-Kutta methods combined with a penalization technique recently introduced in [F. Filbet, S. Jin: A class of asymptotic preserving schemes for kinetic equations and related problems with stiff sources,J. Comp. Phys. 229, (2010), pp. 7625-7648.].

Giacomo Dimarco, Russell Caflisch, Lorenzo Pareschi

We consider the development of Monte Carlo schemes for molecules with Coulomb interactions. We generalize the classic algorithms of Bird and Nanbu-Babovsky for rarefied gas dynamics to the Coulomb case thanks to the approximation introduced by Bobylev and Nanbu (Theory of collision algorithms for gases and plasmas based on the Boltzmann equation and the Landau-Fokker-Planck equation, Physical Review E, Vol. 61, 2000). Thus, instead of considering the original Boltzmann collision operator, the schemes are constructed through the use of an approximated Boltzmann operator. With the above choice larger time steps are possible in simulations; moreover the expensive acceptance-rejection procedure for collisions is avoided and every particle collides. Error analysis and comparisons with the original Bobylev-Nanbu (BN) scheme are performed. The numerical results show agreement with the theoretical convergence rate of the approximated Boltzmann operator and the better performance of Bird-type schemes with respect to the original scheme.

Giacomo Dimarco, Lorenzo Pareschi

The development of efficient numerical methods for kinetic equations with stochastic parameters is a challenge due to the high dimensionality of the problem. Recently we introduced a multiscale control variate strategy which is capable to accelerate considerably the slow convergence of standard Monte Carlo methods for uncertainty quantification. Here we generalize this class of methods to the case of multiple control variates. We show that the additional degrees of freedom can be used to improve further the variance reduction properties of multiscale control variate methods.

Giacomo Dimarco, Raphaël Loubère, Victor Michel-Dansac et al.

In this work, we consider the development of implicit explicit total variation diminishing (TVD) methods (also termed SSP: strong stability preserving) for the compressible isentropic Euler system in the low Mach number regime. The scheme proposed is asymptotically stable with a CFL condition independent from the Mach number and it degenerates in the low Mach number regime to a consistent discretization of the incompressible system. Since, it has been proved that implicit schemes of order higher than one cannot be TVD (SSP) \cite{GotShuTad}, we construct a new paradigm of implicit time integrators by coupling first order in time schemes with second order ones in the same spirit as highly accurate shock capturing TVD methods in space. For this particular class of schemes, the TVD property is first proved on a linear model advection equation and then extended to the isentropic Euler case. The result is a method which interpolates from the first to the second order both in space and time, which preserves the monotonicity of the solution, highly accurate for all choices of the Mach number and with a time step only restricted by the non stiff part of the system. In the last part, we show thanks to one and two dimensional test cases that the method indeed possesses the claimed properties.

Giacomo Dimarco, Raphaël Loubere

In this paper we present a new ultra efficient numerical method for solving kinetic equations. In this preliminary work, we present the scheme in the case of the BGK relaxation operator. The scheme, being based on a splitting technique between transport and collision, can be easily extended to other collisional operators as the Boltzmann collision integral or to other kinetic equations such as the Vlasov equation. The key idea, on which the method relies, is to solve the collision part on a grid and then to solve exactly the transport linear part by following the characteristics backward in time. The main difference between the method proposed and semi-Lagrangian methods is that here we do not need to reconstruct the distribution function at each time step. This allows to tremendously reduce the computational cost of the method and it permits for the first time, to the author's knowledge, to compute solutions of full six dimensional kinetic equations on a single processor laptop machine. Numerical examples, up to the full three dimensional case, are presented which validate the method and assess its efficiency in 1D, 2D and 3D.

Giacomo Dimarco, Raphaël Loubere

In a recent paper we presented a new ultra efficient numerical method for solving kinetic equations of the Boltzmann type (G. Dimarco, R. Loubere, Towards an ultra efficient kinetic scheme. Part I: basics on the 689 BGK equation, J. Comp. Phys., (2013), http://dx.doi.org/10.1016/j.jcp.2012.10.058). The key idea, on which the method relies, is to solve the collision part on a grid and then to solve exactly the transport part by following the characteristics backward in time. On the contrary to classical semi-Lagrangian methods one does not need to reconstruct the distribution function at each time step. This allows to tremendously reduce the computational cost and to perform efficient numerical simulations of kinetic equations up to the six dimensional case without parallelization. However, the main drawback of the method developed was the loss of spatial accuracy close to the fluid limit. In the present work, we modify the scheme in such a way that it is able to preserve the high order spatial accuracy for extremely rarefied and fluid regimes. In particular, in the fluid limit, the method automatically degenerates into a high order method for the compressible Euler equations. Numerical examples are presented which validate the method, show the higher accuracy with respect to the previous approach and measure its efficiency with respect to well known schemes (Direct Simulation Monte Carlo, Finite Volume, MUSCL, WENO).

Giacomo Dimarco

In this work we propose a generalization of the Moment Guided Monte Carlo method developed in [11]. This approach permits to reduce the variance of the particle methods through a matching with a set of suitable macroscopic moment equations. In order to guarantee that the moment equations provide the correct solutions, they are coupled to the kinetic equation through a non equilibrium term. Here, at the contrary to the previous work in which we considered the simplified BGK operator, we deal with the full Boltzmann operator. Moreover, we introduce an hybrid setting which permits to entirely remove the resolution of the kinetic equation in the limit of infinite number of collisions and to consider only the solution of the compressible Euler equation. This modification additionally reduce the statistical error with respect to our previous work and permits to perform simulations of non equilibrium gases using only a few number of particles. We show at the end of the paper several numerical tests which prove the efficiency and the low level of numerical noise of the method.

Wei Chen, Giacomo Dimarco, Lorenzo Pareschi

Plasma kinetic equations exhibit pronounced sensitivity to microscopic perturbations in model parameters and data, making reliable and efficient uncertainty quantification (UQ) essential for predictive simulations. However, the cost of uncertainty sampling, the high-dimensional phase space, and multiscale stiffness pose severe challenges to both computational efficiency and error control in traditional numerical methods. These aspects are further emphasized in presence of collisions where the high-dimensional nonlocal collision integrations and conservation properties pose severe constraints. To overcome this, we present a variance-reduced Monte Carlo framework for UQ in the Vlasov--Poisson--Landau (VPL) system, in which neural network surrogates replace the multiple costly evaluations of the Landau collision term. The method couples a high-fidelity, asymptotic-preserving VPL solver with inexpensive, strongly correlated surrogates based on the Vlasov--Poisson--Fokker--Planck (VPFP) and Euler--Poisson (EP) equations. For the surrogate models, we introduce a generalization of the separable physics-informed neural network (SPINN), developing a class of tensor neural networks based on an anisotropic micro-macro decomposition, to reduce velocity-moment costs, model complexity, and the curse of dimensionality. To further increase correlation with VPL, we calibrate the VPFP model and design an asymptotic-preserving SPINN whose small- and large-Knudsen limits recover the EP and VP systems, respectively. Numerical experiments show substantial variance reduction over standard Monte Carlo, accurate statistics with far fewer high-fidelity samples, and lower wall-clock time, while maintaining robustness to stochastic dimension.

Giacomo Dimarco, Cory Hauck, Raphaël Loubère

In this paper we genealize the fast semi-Lagrangian scheme developed in [J. Comput. Phys., Vol. 255, 2013, pp 680-698] to the case of high order reconstructions of the distribution function. The original first order accurate semi-Lagrangian scheme is supplemented with polynomial reconstructions of the distribution function and of the collisional operator leading to an effective high order accurate numerical scheme for all regimes, from extremely rarefied gas to highly collisional siuation. The main idea relies on updating at each time step the extreme points of the distribution function for each velocity of the lattice instead of updating the solution in the cell centers, these extremes points being located at different positions for any fixed velocity of the lattice. The result is a class of scheme which permits to preserve the structure of the solution over very long times compared to existing schemes from the literature. We propose a proof of concept of this new approach along with numerical tests and comparisons with classical numerical methods.

Muhammad Awais, Abu Safyan Ali, Giacomo Dimarco et al.

In this work, we integrate the predictive capabilities of compartmental disease dynamics models with machine learning ability to analyze complex, high-dimensional data and uncover patterns that conventional models may overlook. Specifically, we present a proof of concept demonstrating the application of data-driven methods and deep neural networks to a recently introduced Susceptible-Infected-Recovered type model with social features, including a saturated incidence rate, to improve epidemic prediction and forecasting. Our results show that a robust data augmentation strategy trough suitable data-driven models can improve the reliability of Feed-Forward Neural Networks and Nonlinear Autoregressive Networks, providing a complementary strategy to Physics-Informed Neural Networks, particularly in settings where data augmentation from mechanistic models can enhance learning. This approach enhances the ability to handle nonlinear dynamics and offers scalable, data-driven solutions for epidemic forecasting, prioritizing predictive accuracy over the constraints of physics-based models. Numerical simulations of the lockdown and post-lockdown phase of the COVID-19 epidemic in Italy and Spain validate our methodology.

Wei Chen, Giacomo Dimarco, Lorenzo Pareschi

The high dimensionality of kinetic equations with stochastic parameters poses major computational challenges for uncertainty quantification (UQ). Traditional Monte Carlo (MC) sampling methods, while widely used, suffer from slow convergence and high variance, which become increasingly severe as the dimensionality of the parameter space grows. To accelerate MC sampling, we adopt a multiscale control variates strategy that leverages low-fidelity solutions from simplified kinetic models to reduce variance. To further improve sampling efficiency and preserve the underlying physics, we introduce surrogate models based on structure and asymptotic preserving neural networks (SAPNNs). These deep neural networks are specifically designed to satisfy key physical properties, including positivity, conservation laws, entropy dissipation, and asymptotic limits. By training the SAPNNs on low-fidelity models and enriching them with selected high-fidelity samples from the full Boltzmann equation, our method achieves significant variance reduction while maintaining physical consistency and asymptotic accuracy. The proposed methodology enables efficient large-scale prediction in kinetic UQ and is validated across both homogeneous and nonhomogeneous multiscale regimes. Numerical results demonstrate improved accuracy and computational efficiency compared to standard MC techniques.

Giacomo Dimarco, Federica Ferrarese, Lorenzo Pareschi

In this work, we propose a data augmentation strategy aimed at improving the training phase of neural networks and, consequently, the accuracy of their predictions. Our approach relies on generating synthetic data through a suitable compartmental model combined with the incorporation of uncertainty. The available data are then used to calibrate the model, which is further integrated with deep learning techniques to produce additional synthetic data for training. The results show that neural networks trained on these augmented datasets exhibit significantly improved predictive performance. We focus in particular on two different neural network architectures: Physics-Informed Neural Networks (PINNs) and Nonlinear Autoregressive (NAR) models. The NAR approach proves especially effective for short-term forecasting, providing accurate quantitative estimates by directly learning the dynamics from data and avoiding the additional computational cost of embedding physical constraints into the training. In contrast, PINNs yield less accurate quantitative predictions but capture the qualitative long-term behavior of the system, making them more suitable for exploring broader dynamical trends. Numerical simulations of the second phase of the COVID-19 pandemic in the Lombardy region (Italy) validate the effectiveness of the proposed approach.

Giacomo Dimarco, Lorenzo Pareschi, Mattia Zanella

Kinetic equations play a major rule in modeling large systems of interacting particles. Recently the legacy of classical kinetic theory found novel applications in socio-economic and life sciences, where processes characterized by large groups of agents exhibit spontaneous emergence of social structures. Well-known examples are the formation of clusters in opinion dynamics, the appearance of inequalities in wealth distributions, flocking and milling behaviors in swarming models, synchronization phenomena in biological systems and lane formation in pedestrian traffic. The construction of kinetic models describing the above processes, however, has to face the difficulty of the lack of fundamental principles since physical forces are replaced by empirical social forces. These empirical forces are typically constructed with the aim to reproduce qualitatively the observed system behaviors, like the emergence of social structures, and are at best known in terms of statistical information of the modeling parameters. For this reason the presence of random inputs characterizing the parameters uncertainty should be considered as an essential feature in the modeling process. In this survey we introduce several examples of such kinetic models, that are mathematically described by nonlinear Vlasov and Fokker--Planck equations, and present different numerical approaches for uncertainty quantification which preserve the main features of the kinetic solution.

Giacomo Dimarco, Raphaël Loubère, Jacek Narski et al.

In this paper we deal with the extension of the Fast Kinetic Scheme (FKS) [J. Comput. Phys., Vol. 255, 2013, pp 680-698] originally constructed for solving the BGK equation, to the more challenging case of the Boltzmann equation. The scheme combines a robust and fast method for treating the transport part based on an innovative Lagrangian technique supplemented with fast spectral schemes to treat the collisional operator by means of an operator splitting approach. This approach along with several implementation features related to the parallelization of the algorithm permits to construct an efficient simulation tool which is numerically tested against exact and reference solutions on classical problems arising in rarefied gas dynamic. We present results up to the $3$D$\times 3$D case for unsteady flows for the Variable Hard Sphere model which may serve as benchmark for future comparisons between different numerical methods for solving the multidimensional Boltzmann equation. For this reason, we also provide for each problem studied details on the computational cost and memory consumption as well as comparisons with the BGK model or the limit model of compressible Euler equations.

Giacomo Dimarco, Lorenzo Pareschi

In some recent works [G. Dimarco, L. Pareschi, Hybrid multiscale methods I. Hyperbolic Relaxation Problems, Comm. Math. Sci., 1, (2006), pp. 155-177], [G. Dimarco, L. Pareschi, Hybrid multiscale methods II. Kinetic equations, SIAM Multiscale Modeling and Simulation Vol 6., No 4,pp. 1169-1197, (2008)] we developed a general framework for the construction of hybrid algorithms which are able to face efficiently the multiscale nature of some hyperbolic and kinetic problems. Here, at variance with respect to the previous methods, we construct a method form-fitting to any type of finite volume or finite difference scheme for the reduced equilibrium system. Thanks to the coupling of Monte Carlo techniques for the solution of the kinetic equations with macroscopic methods for the limiting fluid equations, we show how it is possible to solve multiscale fluid dynamic phenomena faster with respect to traditional deterministic/stochastic methods for the full kinetic equations. In addition, due to the hybrid nature of the schemes, the numerical solution is affected by less fluctuations when compared to standard Monte Carlo schemes. Applications to the Boltzmann-BGK equation are presented to show the performance of the new methods in comparison with classical approaches used in the simulation of kinetic equations.

Pierre Degond, Giacomo Dimarco, Luc Mieussens

This paper collects the efforts done in our previous works [P. Degond, S. Jin, L. Mieussens, A Smooth Transition Between Kinetic and Hydrodynamic Equations, J. Comp. Phys., 209 (2005) 665--694.],[P.Degond, G. Dimarco, L. Mieussens, A Moving Interface Method for Dynamic Kinetic-fluid Coupling, J. Comp. Phys., Vol. 227, pp. 1176-1208, (2007).],[P. Degond, J.G. Liu, L. Mieussens, Macroscopic Fluid Model with Localized Kinetic Upscaling Effects, SIAM Multi. Model. Sim. 5(3), 940--979 (2006)] to build a robust multiscale kinetic-fluid solver. Our scope is to efficiently solve fluid dynamic problems which present non equilibrium localized regions that can move, merge, appear or disappear in time. The main ingredients of the present work are the followings ones: a fluid model is solved in the whole domain together with a localized kinetic upscaling term that corrects the fluid model wherever it is necessary; this multiscale description of the flow is obtained by using a micro-macro decomposition of the distribution function [P. Degond, J.G. Liu, L. Mieussens, Macroscopic Fluid Model with Localized Kinetic Upscaling Effects, SIAM Multi. Model. Sim. 5(3), 940--979 (2006)]; the dynamic transition between fluid and kinetic descriptions is obtained by using a time and space dependent transition function; to efficiently define the breakdown conditions of fluid models we propose a new criterion based on the distribution function itself. Several numerical examples are presented to validate the method and measure its computational efficiency.

Pierre Degond, Giacomo Dimarco, Lorenzo Pareschi

In this work we propose a new approach for the numerical simulation of kinetic equations through Monte Carlo schemes. We introduce a new technique which permits to reduce the variance of particle methods through a matching with a set of suitable macroscopic moment equations. In order to guarantee that the moment equations provide the correct solutions, they are coupled to the kinetic equation through a non equilibrium term. The basic idea, on which the method relies, consists in guiding the particle positions and velocities through moment equations so that the concurrent solution of the moment and kinetic models furnishes the same macroscopic quantities.