In this paper, we present and analyze a linear fully discrete second order scheme with variable time steps for the phase field crystal equation. More precisely, we construct a linear adaptive time stepping scheme based on the second order backward differentiation formulation (BDF2) and use the Fourier spectral method for the spatial discretization. The scalar auxiliary variable approach is employed to deal with the nonlinear term, in which we only adopt a first order method to approximate the auxiliary variable. This treatment is extremely important in the derivation of the unconditional energy stability of the proposed adaptive BDF2 scheme. However, we find for the first time that this strategy will not affect the second order accuracy of the unknown phase function $\phi^{n}$ by setting the positive constant $C_{0}$ large enough such that $C_{0}\geq 1/\Dt.$ The energy stability of the adaptive BDF2 scheme is established with a mild constraint on the adjacent time step radio $\gamma_{n+1}:=\Dt_{n+1}/\Dt_{n}\leq 4.8645$. Furthermore, a rigorous error estimate of the second order accuracy of $\phi^{n}$ is derived for the proposed scheme on the nonuniform mesh by using the uniform $H^{2}$ bound of the numerical solutions. Finally, some numerical experiments are carried out to validate the theoretical results and demonstrate the efficiency of the fully discrete adaptive BDF2 scheme.
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$k$-nearest neighbor classification is a popular non-parametric method because of desirable properties like automatic adaption to distributional scale changes. Unfortunately, it has thus far proved difficult to design active learning strategies for the training of local voting-based classifiers that naturally retain these desirable properties, and hence active learning strategies for $k$-nearest neighbor classification have been conspicuously missing from the literature. In this work, we introduce a simple and intuitive active learning algorithm for the training of $k$-nearest neighbor classifiers, the first in the literature which retains the concept of the $k$-nearest neighbor vote at prediction time. We provide consistency guarantees for a modified $k$-nearest neighbors classifier trained on samples acquired via our scheme, and show that when the conditional probability function $\mathbb{P}(Y=y|X=x)$ is sufficiently smooth and the Tsybakov noise condition holds, our actively trained classifiers converge to the Bayes optimal classifier at a faster asymptotic rate than passively trained $k$-nearest neighbor classifiers.
We define an optimal preconditioning for the Langevin diffusion by analytically optimizing the expected squared jumped distance. This yields as the optimal preconditioning an inverse Fisher information covariance matrix, where the covariance matrix is computed as the outer product of log target gradients averaged under the target. We apply this result to the Metropolis adjusted Langevin algorithm (MALA) and derive a computationally efficient adaptive MCMC scheme that learns the preconditioning from the history of gradients produced as the algorithm runs. We show in several experiments that the proposed algorithm is very robust in high dimensions and significantly outperforms other methods, including a closely related adaptive MALA scheme that learns the preconditioning with standard adaptive MCMC as well as the position-dependent Riemannian manifold MALA sampler.
This paper considers the Cauchy problem for the nonlinear dynamic string equation of Kirchhoff-type with time-varying coefficients. The objective of this work is to develop a temporal discretization algorithm capable of approximating a solution to this initial-boundary value problem. To this end, a symmetric three-layer semi-discrete scheme is employed with respect to the temporal variable, wherein the value of a nonlinear term is evaluated at the middle node point. This approach enables the numerical solutions per temporal step to be obtained by inverting the linear operators, yielding a system of second-order linear ordinary differential equations. Local convergence of the proposed scheme is established, and it achieves quadratic convergence concerning the step size of the discretization of time on the local temporal interval. We have conducted several numerical experiments using the proposed algorithm for various test problems to validate its performance. It can be said that the obtained numerical results are in accordance with the theoretical findings.
This paper introduces a dual-based algorithm framework for solving the regularized online resource allocation problems, which have potentially non-concave cumulative rewards, hard resource constraints, and a non-separable regularizer. Under a strategy of adaptively updating the resource constraints, the proposed framework only requests approximate solutions to the empirical dual problems up to a certain accuracy and yet delivers an optimal logarithmic regret under a locally second-order growth condition. Surprisingly, a delicate analysis of the dual objective function enables us to eliminate the notorious log-log factor in regret bound. The flexible framework renders renowned and computationally fast algorithms immediately applicable, e.g., dual stochastic gradient descent. Additionally, an infrequent re-solving scheme is proposed, which significantly reduces computational demands without compromising the optimal regret performance. A worst-case square-root regret lower bound is established if the resource constraints are not adaptively updated during dual optimization, which underscores the critical role of adaptive dual variable update. Comprehensive numerical experiments demonstrate the merits of the proposed algorithm framework.
In this article, we propose two kinds of neural networks inspired by power method and inverse power method to solve linear eigenvalue problems. These neural networks share similar ideas with traditional methods, in which the differential operator is realized by automatic differentiation. The eigenfunction of the eigenvalue problem is learned by the neural network and the iterative algorithms are implemented by optimizing the specially defined loss function. The largest positive eigenvalue, smallest eigenvalue and interior eigenvalues with the given prior knowledge can be solved efficiently. We examine the applicability and accuracy of our methods in the numerical experiments in one dimension, two dimensions and higher dimensions. Numerical results show that accurate eigenvalue and eigenfunction approximations can be obtained by our methods.
Sylvester matrix equations are ubiquitous in scientific computing. However, few solution techniques exist for their generalized multiterm version, as they recently arose in stochastic Galerkin finite element discretizations and isogeometric analysis. In this work, we consider preconditioning techniques for the iterative solution of generalized Sylvester equations. They consist in constructing low Kronecker rank approximations of either the operator itself or its inverse. In the first case, applying the preconditioning operator requires solving standard Sylvester equations, for which very efficient solution methods have already been proposed. In the second case, applying the preconditioning operator only requires computing matrix-matrix multiplications, which are also highly optimized on modern computer architectures. Moreover, low Kronecker rank approximate inverses can be easily combined with sparse approximate inverse techniques, thereby further speeding up their application with little or no damage to their preconditioning capability.
The criticality problem in nuclear engineering asks for the principal eigen-pair of a Boltzmann operator describing neutron transport in a reactor core. Being able to reliably design, and control such reactors requires assessing these quantities within quantifiable accuracy tolerances. In this paper we propose a paradigm that deviates from the common practice of approximately solving the corresponding spectral problem with a fixed, presumably sufficiently fine discretization. Instead, the present approach is based on first contriving iterative schemes, formulated in function space, that are shown to converge at a quantitative rate without assuming any a priori excess regularity properties, and that exploit only properties of the optical parameters in the underlying radiative transfer model. We develop the analytical and numerical tools for approximately realizing each iteration step withing judiciously chosen accuracy tolerances, verified by a posteriori estimates, so as to still warrant quantifiable convergence to the exact eigen-pair. This is carried out in full first for a Newton scheme. Since this is only locally convergent we analyze in addition the convergence of a power iteration in function space to produce sufficiently accurate initial guesses. Here we have to deal with intrinsic difficulties posed by compact but unsymmetric operators preventing standard arguments used in the finite dimensional case. Our main point is that we can avoid any condition on an initial guess to be already in a small neighborhood of the exact solution. We close with a discussion of remaining intrinsic obstructions to a certifiable numerical implementation, mainly related to not knowing the gap between the principal eigenvalue and the next smaller one in modulus.
We introduce a physics-driven deep latent variable model (PDDLVM) to learn simultaneously parameter-to-solution (forward) and solution-to-parameter (inverse) maps of parametric partial differential equations (PDEs). Our formulation leverages conventional PDE discretization techniques, deep neural networks, probabilistic modelling, and variational inference to assemble a fully probabilistic coherent framework. In the posited probabilistic model, both the forward and inverse maps are approximated as Gaussian distributions with a mean and covariance parameterized by deep neural networks. The PDE residual is assumed to be an observed random vector of value zero, hence we model it as a random vector with a zero mean and a user-prescribed covariance. The model is trained by maximizing the probability, that is the evidence or marginal likelihood, of observing a residual of zero by maximizing the evidence lower bound (ELBO). Consequently, the proposed methodology does not require any independent PDE solves and is physics-informed at training time, allowing the real-time solution of PDE forward and inverse problems after training. The proposed framework can be easily extended to seamlessly integrate observed data to solve inverse problems and to build generative models. We demonstrate the efficiency and robustness of our method on finite element discretized parametric PDE problems such as linear and nonlinear Poisson problems, elastic shells with complex 3D geometries, and time-dependent nonlinear and inhomogeneous PDEs using a physics-informed neural network (PINN) discretization. We achieve up to three orders of magnitude speed-up after training compared to traditional finite element method (FEM), while outputting coherent uncertainty estimates.
One of the most studied extensions of the famous Traveling Salesperson Problem (TSP) is the {\sc Multiple TSP}: a set of $m\geq 1$ salespersons collectively traverses a set of $n$ cities by $m$ non-trivial tours, to minimize the total length of their tours. This problem can also be considered to be a variant of {\sc Uncapacitated Vehicle Routing} where the objective function is the sum of all tour lengths. When all $m$ tours start from a single common \emph{depot} $v_0$, then the metric {\sc Multiple TSP} can be approximated equally well as the standard metric TSP, as shown by Frieze (1983). The {\sc Multiple TSP} becomes significantly harder to approximate when there is a \emph{set} $D$ of $d \geq 1$ depots that form the starting and end points of the $m$ tours. For this case only a $(2-1/d)$-approximation in polynomial time is known, as well as a $3/2$-approximation for \emph{constant} $d$ which requires a prohibitive run time of $n^{\Theta(d)}$ (Xu and Rodrigues, \emph{INFORMS J. Comput.}, 2015). A recent work of Traub, Vygen and Zenklusen (STOC 2020) gives another approximation algorithm for {\sc Multiple TSP} running in time $n^{\Theta(d)}$ and reducing the problem to approximating TSP. In this paper we overcome the $n^{\Theta(d)}$ time barrier: we give the first efficient approximation algorithm for {\sc Multiple TSP} with a \emph{variable} number $d$ of depots that yields a better-than-2 approximation. Our algorithm runs in time $(1/\varepsilon)^{\mathcal O(d\log d)}\cdot n^{\mathcal O(1)}$, and produces a $(3/2+\varepsilon)$-approximation with constant probability. For the graphic case, we obtain a deterministic $3/2$-approximation in time $2^d\cdot n^{\mathcal O(1)}$.ithm for metric {\sc Multiple TSP} with run time $n^{\Theta(d)}$, which reduces the problem to approximating metric TSP.
Breaking safety constraints in control systems can lead to potential risks, resulting in unexpected costs or catastrophic damage. Nevertheless, uncertainty is ubiquitous, even among similar tasks. In this paper, we develop a novel adaptive safe control framework that integrates meta learning, Bayesian models, and control barrier function (CBF) method. Specifically, with the help of CBF method, we learn the inherent and external uncertainties by a unified adaptive Bayesian linear regression (ABLR) model, which consists of a forward neural network (NN) and a Bayesian output layer. Meta learning techniques are leveraged to pre-train the NN weights and priors of the ABLR model using data collected from historical similar tasks. For a new control task, we refine the meta-learned models using a few samples, and introduce pessimistic confidence bounds into CBF constraints to ensure safe control. Moreover, we provide theoretical criteria to guarantee probabilistic safety during the control processes. To validate our approach, we conduct comparative experiments in various obstacle avoidance scenarios. The results demonstrate that our algorithm significantly improves the Bayesian model-based CBF method, and is capable for efficient safe exploration even with multiple uncertain constraints.
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