The unified gas-kinetic wave-particle method (UGKWP) has been developed for the multiscale gas, plasma, and multiphase flow transport processes for the past years. In this work, we propose an implicit unified gas-kinetic wave-particle (IUGKWP) method to remove the CFL time step constraint. Based on the local integral solution of the radiative transfer equation (RTE), the particle transport processes are categorized into the long-$\lambda$ streaming process and the short-$\lambda$ streaming process comparing to a local physical characteristic time $t_p$. In the construction of the IUGKWP method, the long-$\lambda$ streaming process is tracked by the implicit Monte Carlo (IMC) method; the short-$\lambda$ streaming process is evolved by solving the implicit moments equations; and the photon distribution is closed by a local integral solution of RTE. In the IUGKWP method, the multiscale flux of radiation energy and the multiscale closure of photon distribution are constructed based on the local integral solution. The IUGKWP method preserves the second-order asymptotic expansion of RTE in the optically thick regime and adapts its computational complexity to the flow regime. The numerical dissipation is well controlled, and the teleportation error is significantly reduced in the optically thick regime. The computational complexity of the IUGKWP method decreases exponentially as the Knudsen number approaches zero, and the computational efficiency is remarkably improved in the optically thick regime. The IUGKWP is formulated on a generalized unstructured mesh, and multidimensional 2D and 3D algorithms are developed. Numerical tests are presented to validate the capability of IUGKWP in capturing the multiscale photon transport process. The algorithm and code will apply in the engineering applications of inertial confinement fusion (ICF).
Stress prediction in porous materials and structures is challenging due to the high computational cost associated with direct numerical simulations. Convolutional Neural Network (CNN) based architectures have recently been proposed as surrogates to approximate and extrapolate the solution of such multiscale simulations. These methodologies are usually limited to 2D problems due to the high computational cost of 3D voxel based CNNs. We propose a novel geometric learning approach based on a Graph Neural Network (GNN) that efficiently deals with three-dimensional problems by performing convolutions over 2D surfaces only. Following our previous developments using pixel-based CNN, we train the GNN to automatically add local fine-scale stress corrections to an inexpensively computed coarse stress prediction in the porous structure of interest. Our method is Bayesian and generates densities of stress fields, from which credible intervals may be extracted. As a second scientific contribution, we propose to improve the extrapolation ability of our network by deploying a strategy of online physics-based corrections. Specifically, we condition the posterior predictions of our probabilistic predictions to satisfy partial equilibrium at the microscale, at the inference stage. This is done using an Ensemble Kalman algorithm, to ensure tractability of the Bayesian conditioning operation. We show that this innovative methodology allows us to alleviate the effect of undesirable biases observed in the outputs of the uncorrected GNN, and improves the accuracy of the predictions in general.
Implicit models for magnetic coenergy have been proposed by Pera et al. to describe the anisotropic nonlinear material behavior of electrical steel sheets. This approach aims at predicting magnetic response for any direction of excitation by interpolating measured of B--H curves in the rolling and transverse directions. In an analogous manner, an implicit model for magnetic energy is proposed. We highlight some mathematical properties of these implicit models and discuss their numerical realization, outline the computation of magnetic material laws via implicit differentiation, and discuss the potential use for finite element analysis in the context of nonlinear magnetostatics.
The flexoelectric effect, coupling polarization and strain gradient as well as strain and electric field gradients, is universal to dielectrics, but, as compared to piezoelectricity, it is more difficult to harness as it requires field gradients and it is a small-scale effect. These drawbacks can be overcome by suitably designing metamaterials made of a non-piezoelectric base material but exhibiting apparent piezoelectricity. We develop a theoretical and computational framework to perform topology optimization of the representative volume element of such metamaterials by accurately modeling the governing equations of flexoelectricity using a Cartesian B-spline method, describing geometry with a level set, and resorting to genetic algorithms for optimization. We consider a multi-objective optimization problem where area fraction competes with four fundamental piezoelectric functionalities (stress/strain sensor/ actuator). We computationally obtain Pareto fronts, and discuss the different geometries depending on the apparent piezoelectric coefficient being optimized. In general, we find competitive estimations of apparent piezoelectricity as compared to reference materials such as quartz and PZT ceramics. This opens the possibility to design devices for sensing, actuation and energy harvesting from a much wider, cheaper and effective class of materials.
We propose a new method for the construction of layer-adapted meshes for singularly perturbed differential equations (SPDEs), based on mesh partial differential equations (MPDEs) that incorporate \emph{a posteriori} solution information. There are numerous studies on the development of parameter robust numerical methods for SPDEs that depend on the layer-adapted mesh of Bakhvalov. In~\citep{HiMa2021}, a novel MPDE-based approach for constructing a generalisation of these meshes was proposed. Like with most layer-adapted mesh methods, the algorithms in that article depended on detailed derivations of \emph{a priori} bounds on the SPDE's solution and its derivatives. In this work we extend that approach so that it instead uses \emph{a posteriori} computed estimates of the solution. We present detailed algorithms for the efficient implementation of the method, and numerical results for the robust solution of two-parameter reaction-convection-diffusion problems, in one and two dimensions. We also provide full FEniCS code for a one-dimensional example.
We propose a method to modify a polygonal mesh in order to fit the zero-isoline of a level set function by extending a standard body-fitted strategy to a tessellation with arbitrarily-shaped elements. The novel level set-fitted approach, in combination with a Discontinuous Galerkin finite element approximation, provides an ideal setting to model physical problems characterized by embedded or evolving complex geometries, since it allows skipping any mesh post-processing in terms of grid quality. The proposed methodology is firstly assessed on the linear elasticity equation, by verifying the approximation capability of the level set-fitted approach when dealing with configurations with heterogeneous material properties. Successively, we combine the level set-fitted methodology with a minimum compliance topology optimization technique, in order to deliver optimized layouts exhibiting crisp boundaries and reliable mechanical performances. An extensive numerical test campaign confirms the effectiveness of the proposed method.
We propose a hybrid Finite Volume (FV) - Spectral Element Method (SEM) for modelling aeroacoustic phenomena based on the Lighthill's acoustic analogy. First the fluid solution is computed employing a FV method. Then, the sound source term is projected onto the acoustic grid and the inhomogeneous Lighthill's wave equation is solved employing the SEM. The novel projection method computes offline the intersections between the acoustic and the fluid grids in order to preserve the accuracy. The proposed intersection algorithm is shown to be robust, scalable and able to efficiently compute the geometric intersection of arbitrary polyhedral elements. We then analyse the properties of the projection error, showing that if the fluid grid is fine enough we are able to exploit the accuracy of the acoustic solver and we numerically assess the obtained theoretical estimates. Finally, we address two relevant aeroacoustic benchmarks, namely the corotating vortex pair and the noise induced by a laminar flow around a squared cylinder, to demonstrate in practice the effectiveness of the projection method when dealing with high order solvers. The flow computations are performed with OpenFOAM [46], an open-source finite volume library, while the inhomogeneous Lighthill's wave equation is solved with SPEED [31], an opensource spectral element library.
Data is a cornerstone for fine-tuning large language models, yet acquiring suitable data remains challenging. Challenges encompassed data scarcity, linguistic diversity, and domain-specific content. This paper presents lessons learned while crawling and refining data tailored for fine-tuning Vietnamese language models. Crafting such a dataset, while accounting for linguistic intricacies and striking a balance between inclusivity and accuracy, demands meticulous planning. Our paper presents a multidimensional strategy including leveraging existing datasets in the English language and developing customized data-crawling scripts with the assistance of generative AI tools. A fine-tuned LLM model for the Vietnamese language, which was produced using resultant datasets, demonstrated good performance while generating Vietnamese news articles from prompts. The study offers practical solutions and guidance for future fine-tuning models in languages like Vietnamese.
In sampling-based Bayesian models of brain function, neural activities are assumed to be samples from probability distributions that the brain uses for probabilistic computation. However, a comprehensive understanding of how mechanistic models of neural dynamics can sample from arbitrary distributions is still lacking. We use tools from functional analysis and stochastic differential equations to explore the minimum architectural requirements for $\textit{recurrent}$ neural circuits to sample from complex distributions. We first consider the traditional sampling model consisting of a network of neurons whose outputs directly represent the samples (sampler-only network). We argue that synaptic current and firing-rate dynamics in the traditional model have limited capacity to sample from a complex probability distribution. We show that the firing rate dynamics of a recurrent neural circuit with a separate set of output units can sample from an arbitrary probability distribution. We call such circuits reservoir-sampler networks (RSNs). We propose an efficient training procedure based on denoising score matching that finds recurrent and output weights such that the RSN implements Langevin sampling. We empirically demonstrate our model's ability to sample from several complex data distributions using the proposed neural dynamics and discuss its applicability to developing the next generation of sampling-based brain models.
We propose a new variable selection procedure for a functional linear model with multiple scalar responses and multiple functional predictors. This method is based on basis expansions of the involved functional predictors and coefficients that lead to a multivariate linear regression model. Then a criterion by means of which the variable selection problem reduces to that of estimating a suitable set is introduced. Estimation of this set is achieved by using appropriate penalizations of estimates of this criterion, so leading to our proposal. A simulation study that permits to investigate the effectiveness of the proposed approach and to compare it with existing methods is given.
Gaussian processes (GPs) are widely-used tools in spatial statistics and machine learning and the formulae for the mean function and covariance kernel of a GP $T u$ that is the image of another GP $u$ under a linear transformation $T$ acting on the sample paths of $u$ are well known, almost to the point of being folklore. However, these formulae are often used without rigorous attention to technical details, particularly when $T$ is an unbounded operator such as a differential operator, which is common in many modern applications. This note provides a self-contained proof of the claimed formulae for the case of a closed, densely-defined operator $T$ acting on the sample paths of a square-integrable (not necessarily Gaussian) stochastic process. Our proof technique relies upon Hille's theorem for the Bochner integral of a Banach-valued random variable.