Probably one of the most striking examples of the close connections between global optimization processes and statistical physics is the simulated annealing method, inspired by the famous Monte Carlo algorithm devised by Metropolis et al. in the middle of the last century. In this paper we show how the tools of linear kinetic theory allow to describe this gradient-free algorithm from the perspective of statistical physics and how convergence to the global minimum can be related to classical entropy inequalities. This analysis highlight the strong link between linear Boltzmann equations and stochastic optimization methods governed by Markov processes. Thanks to this formalism we can establish the connections between the simulated annealing process and the corresponding mean-field Langevin dynamics characterized by a stochastic gradient descent approach. Generalizations to other selection strategies in simulated annealing that avoid the acceptance-rejection dynamic are also provided.
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We propose a high order numerical scheme for time-dependent first order Hamilton--Jacobi--Bellman equations. In particular we propose to combine a semi-Lagrangian scheme with a Central Weighted Non-Oscillatory reconstruction. We prove a convergence result in the case of state- and time-independent Hamiltonians. Numerical simulations are presented in space dimensions one and two, also for more general state- and time-dependent Hamiltonians, demonstrating superior performance in terms of CPU time gain compared with a semi-Lagrangian scheme coupled with Weighted Non-Oscillatory reconstructions.
We propose a new randomized method for solving systems of nonlinear equations, which can find sparse solutions or solutions under certain simple constraints. The scheme only takes gradients of component functions and uses Bregman projections onto the solution space of a Newton equation. In the special case of euclidean projections, the method is known as nonlinear Kaczmarz method. Furthermore, if the component functions are nonnegative, we are in the setting of optimization under the interpolation assumption and the method reduces to SGD with the recently proposed stochastic Polyak step size. For general Bregman projections, our method is a stochastic mirror descent with a novel adaptive step size. We prove that in the convex setting each iteration of our method results in a smaller Bregman distance to exact solutions as compared to the standard Polyak step. Our generalization to Bregman projections comes with the price that a convex one-dimensional optimization problem needs to be solved in each iteration. This can typically be done with globalized Newton iterations. Convergence is proved in two classical settings of nonlinearity: for convex nonnegative functions and locally for functions which fulfill the tangential cone condition. Finally, we show examples in which the proposed method outperforms similar methods with the same memory requirements.
Mass lumping techniques are commonly employed in explicit time integration schemes for problems in structural dynamics and both avoid solving costly linear systems with the consistent mass matrix and increase the critical time step. In isogeometric analysis, the critical time step is constrained by so-called "outlier" frequencies, representing the inaccurate high frequency part of the spectrum. Removing or dampening these high frequencies is paramount for fast explicit solution techniques. In this work, we propose robust mass lumping and outlier removal techniques for nontrivial geometries, including multipatch and trimmed geometries. Our lumping strategies provably do not deteriorate (and often improve) the CFL condition of the original problem and are combined with deflation techniques to remove persistent outlier frequencies. Numerical experiments reveal the advantages of the method, especially for simulations covering large time spans where they may halve the number of iterations with little or no effect on the numerical solution.
On Schr?dingerization based quantum algorithms for linear dynamical systems with inhomogeneous terms
We analyze the Schr\"odingerisation method for quantum simulation of a general class of non-unitary dynamics with inhomogeneous source terms. The Schr\"odingerisation technique, introduced in \cite{JLY22a,JLY23}, transforms any linear ordinary and partial differential equations with non-unitary dynamics into a system under unitary dynamics via a warped phase transition that maps the equations into a higher dimension, making them suitable for quantum simulation. This technique can also be applied to these equations with inhomogeneous terms modeling source or forcing terms or boundary and interface conditions, and discrete dynamical systems such as iterative methods in numerical linear algebra, through extra equations in the system. Difficulty airses with the presense of inhomogeneous terms since it can change the stability of the original system. In this paper, we systematically study--both theoretically and numerically--the important issue of recovering the original variables from the Schr\"odingerized equations, even when the evolution operator contains unstable modes. We show that even with unstable modes, one can still construct a stable scheme, yet to recover the original variable one needs to use suitable data in the extended space. We analyze and compare both the discrete and continuous Fourier transforms used in the extended dimension, and derive corresponding error estimates, which allows one to use the more appropriate transform for specific equations. We also provide a smoother initialization for the Schrod\"odingerized system to gain higher order accuracy in the extended space. We homogenize the inhomogeneous terms with a stretch transformation, making it easier to recover the original variable. Our recovering technique also provides a simple and generic framework to solve general ill-posed problems in a computationally stable way.
Learning unknown stochastic differential equations (SDEs) from observed data is a significant and challenging task with applications in various fields. Current approaches often use neural networks to represent drift and diffusion functions, and construct likelihood-based loss by approximating the transition density to train these networks. However, these methods often rely on one-step stochastic numerical schemes, necessitating data with sufficiently high time resolution. In this paper, we introduce novel approximations to the transition density of the parameterized SDE: a Gaussian density approximation inspired by the random perturbation theory of dynamical systems, and its extension, the dynamical Gaussian mixture approximation (DynGMA). Benefiting from the robust density approximation, our method exhibits superior accuracy compared to baseline methods in learning the fully unknown drift and diffusion functions and computing the invariant distribution from trajectory data. And it is capable of handling trajectory data with low time resolution and variable, even uncontrollable, time step sizes, such as data generated from Gillespie's stochastic simulations. We then conduct several experiments across various scenarios to verify the advantages and robustness of the proposed method.
Several mixed-effects models for longitudinal data have been proposed to accommodate the non-linearity of late-life cognitive trajectories and assess the putative influence of covariates on it. No prior research provides a side-by-side examination of these models to offer guidance on their proper application and interpretation. In this work, we examined five statistical approaches previously used to answer research questions related to non-linear changes in cognitive aging: the linear mixed model (LMM) with a quadratic term, LMM with splines, the functional mixed model, the piecewise linear mixed model, and the sigmoidal mixed model. We first theoretically describe the models. Next, using data from two prospective cohorts with annual cognitive testing, we compared the interpretation of the models by investigating associations of education on cognitive change before death. Lastly, we performed a simulation study to empirically evaluate the models and provide practical recommendations. Except for the LMM-quadratic, the fit of all models was generally adequate to capture non-linearity of cognitive change and models were relatively robust. Although spline-based models have no interpretable nonlinearity parameters, their convergence was easier to achieve, and they allow graphical interpretation. In contrast, piecewise and sigmoidal models, with interpretable non-linear parameters, may require more data to achieve convergence.
Electromagnetic forming and perforations (EMFP) are complex and innovative high strain rate processes that involve electromagnetic-mechanical interactions for simultaneous metal forming and perforations. Instead of spending costly resources on repetitive experimental work, a properly designed numerical model can be effectively used for detailed analysis and characterization of the complex process. A coupled finite element (FE) model is considered for analyzing the multi-physics of the EMFP because of its robustness and improved accuracy. In this work, a detailed understanding of the process has been achieved by numerically simulating forming and perforations of Al6061-T6 tube for 12 holes and 36 holes with two different punches, i.e., pointed and concave punches using Ls-Dyna software. In order to shed light on EMFP physics, a comparison between experimental data and the formulated numerical simulation has been carried out to compare the average hole diameter and the number of perforated holes, for different types of punches and a range of discharge energies. The simulated results show acceptable agreement with experimental studies, with maximum deviations being less than or equal to 6%, which clearly illustrates the efficacy and capability of the developed coupled Multi-physics FE model.
Handling an infinite number of inequality constraints in infinite-dimensional spaces occurs in many fields, from global optimization to optimal transport. These problems have been tackled individually in several previous articles through kernel Sum-Of-Squares (kSoS) approximations. We propose here a unified theorem to prove convergence guarantees for these schemes. Pointwise inequalities are turned into equalities within a class of nonnegative kSoS functions. Assuming further that the functions appearing in the problem are smooth, focusing on pointwise equality constraints enables the use of scattering inequalities to mitigate the curse of dimensionality in sampling the constraints. Our approach is illustrated in learning vector fields with side information, here the invariance of a set.
The scale function holds significant importance within the fluctuation theory of Levy processes, particularly in addressing exit problems. However, its definition is established through the Laplace transform, thereby lacking explicit representations in general. This paper introduces a novel series representation for this scale function, employing Laguerre polynomials to construct a uniformly convergent approximate sequence. Additionally, we derive statistical inference based on specific discrete observations, presenting estimators of scale functions that are asymptotically normal.
We extend generalized functional linear models under independence to a situation in which a functional covariate is related to a scalar response variable that exhibits spatial dependence. For estimation, we apply basis expansion and truncation for dimension reduction of the covariate process followed by a composite likelihood estimating equation to handle the spatial dependency. We develop asymptotic results for the proposed model under a repeating lattice asymptotic context, allowing us to construct a confidence interval for the spatial dependence parameter and a confidence band for the parameter function. A binary conditionals model is presented as a concrete illustration and is used in simulation studies to verify the applicability of the asymptotic inferential results.
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