Thanks to the singularity of the solution of linear subdiffusion problems, most time-stepping methods on uniform meshes can result in $O(\tau)$ accuracy where $\tau$ denotes the time step. The present work aims to discover the reason why some type of Crank-Nicolson schemes (the averaging Crank-Nicolson scheme) for the subdiffusion can only yield $O(\tau^\alpha)$$(\alpha<1)$ accuracy, which is much lower than the desired. The existing well developed error analysis for the subdiffusion, which has been successfully applied to many time-stepping methods such as the fractional BDF-$p (1\leq p\leq 6)$, all requires singular points be out of the path of contour integrals involved. The averaging Crank-Nicolson scheme in this work is quite natural but fails to meet this requirement. By resorting to the residue theorem, some novel sharp error analysis is developed in this study, upon which correction methods are further designed to obtain the optimal $O(\tau^2)$ accuracy. All results are verified by numerical tests.
We present an isogeometric collocation method for solving the biharmonic equation over planar bilinearly parameterized multi-patch domains. The developed approach is based on the use of the globally $C^4$-smooth isogeometric spline space [34] to approximate the solution of the considered partial differential equation, and proposes as collocation points two different choices, namely on the one hand the Greville points and on the other hand the so-called superconvergent points. Several examples demonstrate the potential of our collocation method for solving the biharmonic equation over planar multi-patch domains, and numerically study the convergence behavior of the two types of collocation points with respect to the $L^2$-norm as well as to equivalents of the $H^s$-seminorms for $1 \leq s \leq 4$. In the studied case of spline degree $p=9$, the numerical results indicate in case of the Greville points a convergence of order $\mathcal{O}(h^{p-3})$ independent of the considered (semi)norm, and show in case of the superconvergent points an improved convergence of order $\mathcal{O}(h^{p-2})$ for all (semi)norms except for the equivalent of the $H^4$-seminorm, where the order $\mathcal{O}(h^{p-3})$ is anyway optimal.
A posteriori reduced-order models, e.g. proper orthogonal decomposition, are essential to affordably tackle realistic parametric problems. They rely on a trustful training set, that is a family of full-order solutions (snapshots) representative of all possible outcomes of the parametric problem. Having such a rich collection of snapshots is not, in many cases, computationally viable. A strategy for data augmentation, designed for parametric laminar incompressible flows, is proposed to enrich poorly populated training sets. The goal is to include in the new, artificial snapshots emerging features, not present in the original basis, that do enhance the quality of the reduced-order solution. The methodologies devised are based on exploiting basic physical principles, such as mass and momentum conservation, to devise physically-relevant, artificial snapshots at a fraction of the cost of additional full-order solutions. Interestingly, the numerical results show that the ideas exploiting only mass conservation (i.e., incompressibility) are not producing significant added value with respect to the standard linear combinations of snapshots. Conversely, accounting for the linearized momentum balance via the Oseen equation does improve the quality of the resulting approximation and therefore is an effective data augmentation strategy in the framework of viscous incompressible laminar flows.
Many interesting physical problems described by systems of hyperbolic conservation laws are stiff, and thus impose a very small time-step because of the restrictive CFL stability condition. In this case, one can exploit the superior stability properties of implicit time integration which allows to choose the time-step only from accuracy requirements, and thus avoid the use of small time-steps. We discuss an efficient framework to devise high order implicit schemes for stiff hyperbolic systems without tailoring it to a specific problem. The nonlinearity of high order schemes, due to space- and time-limiting procedures which control nonphysical oscillations, makes the implicit time integration difficult, e.g.~because the discrete system is nonlinear also on linear problems. This nonlinearity of the scheme is circumvented as proposed in (Puppo et al., Comm.~Appl.~Math.~\& Comput., 2023) for scalar conservation laws, where a first order implicit predictor is computed to freeze the nonlinear coefficients of the essentially non-oscillatory space reconstruction, and also to assist limiting in time. In addition, we propose a novel conservative flux-centered a-posteriori time-limiting procedure using numerical entropy indicators to detect troubled cells. The numerical tests involve classical and artificially devised stiff problems using the Euler's system of gas-dynamics.
We provide a non-unit disk framework to solve combinatorial optimization problems such as Maximum Cut (Max-Cut) and Maximum Independent Set (MIS) on a Rydberg quantum annealer. Our setup consists of a many-body interacting Rydberg system where locally controllable light shifts are applied to individual qubits in order to map the graph problem onto the Ising spin model. Exploiting the flexibility that optical tweezers offer in terms of spatial arrangement, our numerical simulations implement the local-detuning protocol while globally driving the Rydberg annealer to the desired many-body ground state, which is also the solution to the optimization problem. Using optimal control methods, these solutions are obtained for prototype graphs with varying sizes at time scales well within the system lifetime and with approximation ratios close to one. The non-blockade approach facilitates the encoding of graph problems with specific topologies that can be realized in two-dimensional Rydberg configurations and is applicable to both unweighted as well as weighted graphs. A comparative analysis with fast simulated annealing is provided which highlights the advantages of our scheme in terms of system size, hardness of the graph, and the number of iterations required to converge to the solution.
This work studies nonparametric Bayesian estimation of the intensity function of an inhomogeneous Poisson point process in the important case where the intensity depends on covariates, based on the observation of a single realisation of the point pattern over a large area. It is shown how the presence of covariates allows to borrow information from far away locations in the observation window, enabling consistent inference in the growing domain asymptotics. In particular, optimal posterior contraction rates under both global and point-wise loss functions are derived. The rates in global loss are obtained under conditions on the prior distribution resembling those in the well established theory of Bayesian nonparametrics, here combined with concentration inequalities for functionals of stationary processes to control certain random covariate-dependent loss functions appearing in the analysis. The local rates are derived with an ad-hoc study that builds on recent advances in the theory of P\'olya tree priors, extended to the present multivariate setting with a novel construction that makes use of the random geometry induced by the covariates.
Deep neural networks (DNNs) often fail silently with over-confident predictions on out-of-distribution (OOD) samples, posing risks in real-world deployments. Existing techniques predominantly emphasize either the feature representation space or the gradient norms computed with respect to DNN parameters, yet they overlook the intricate gradient distribution and the topology of classification regions. To address this gap, we introduce GRadient-aware Out-Of-Distribution detection in interpolated manifolds (GROOD), a novel framework that relies on the discriminative power of gradient space to distinguish between in-distribution (ID) and OOD samples. To build this space, GROOD relies on class prototypes together with a prototype that specifically captures OOD characteristics. Uniquely, our approach incorporates a targeted mix-up operation at an early intermediate layer of the DNN to refine the separation of gradient spaces between ID and OOD samples. We quantify OOD detection efficacy using the distance to the nearest neighbor gradients derived from the training set, yielding a robust OOD score. Experimental evaluations substantiate that the introduction of targeted input mix-upamplifies the separation between ID and OOD in the gradient space, yielding impressive results across diverse datasets. Notably, when benchmarked against ImageNet-1k, GROOD surpasses the established robustness of state-of-the-art baselines. Through this work, we establish the utility of leveraging gradient spaces and class prototypes for enhanced OOD detection for DNN in image classification.
High-order tensor methods for solving both convex and nonconvex optimization problems have generated significant research interest, leading to algorithms with optimal global rates of convergence and local rates that are faster than Newton's method. On each iteration, these methods require the unconstrained local minimization of a (potentially nonconvex) multivariate polynomial of degree higher than two, constructed using third-order (or higher) derivative information, and regularized by an appropriate power of regularization. Developing efficient techniques for solving such subproblems is an ongoing topic of research, and this paper addresses the case of the third-order tensor subproblem. We propose the CQR algorithmic framework, for minimizing a nonconvex Cubic multivariate polynomial with Quartic Regularisation, by minimizing a sequence of local quadratic models that incorporate simple cubic and quartic terms. The role of the cubic term is to crudely approximate local tensor information, while the quartic one controls model regularization and progress. We provide necessary and sufficient optimality conditions that fully characterise the global minimizers of these cubic-quartic models. We then turn these conditions into secular equations that can be solved using nonlinear eigenvalue techniques. We show, using our optimality characterisations, that a CQR algorithmic variant has the optimal-order evaluation complexity of $\mathcal{O}(\epsilon^{-3/2})$ when applied to minimizing our quartically-regularised cubic subproblem, which can be further improved in special cases. We propose practical CQR variants that use local tensor information to construct the local cubic-quartic models. We test these variants numerically and observe them to be competitive with ARC and other subproblem solvers on typical instances and even superior on ill-conditioned subproblems with special structure.
Partitioned neural network functions are used to approximate the solution of partial differential equations. The problem domain is partitioned into non-overlapping subdomains and the partitioned neural network functions are defined on the given non-overlapping subdomains. Each neural network function then approximates the solution in each subdomain. To obtain the convergent neural network solution, certain continuity conditions on the partitioned neural network functions across the subdomain interface need to be included in the loss function, that is used to train the parameters in the neural network functions. In our work, by introducing suitable interface values, the loss function is reformulated into a sum of localized loss functions and each localized loss function is used to train the corresponding local neural network parameters. In addition, to accelerate the neural network solution convergence, the localized loss function is enriched with an augmented Lagrangian term, where the interface condition and the boundary condition are enforced as constraints on the local solutions by using Lagrange multipliers. The local neural network parameters and Lagrange multipliers are then found by optimizing the localized loss function. To take the advantage of the localized loss function for the parallel computation, an iterative algorithm is also proposed. For the proposed algorithms, their training performance and convergence are numerically studied for various test examples.
This study introduces a force-based higher-order shear deformable beam finite element model that incorporates a rational shear stress distribution, designed for the precise analysis of functionally graded sandwich beams. Unlike conventional higher-order shear beam finite elements that regard generalized displacements as unknown fields, this model considers the distributions of stress resultants along the beam axis as the unknown fields. The specific forms of these stress resultants and the generalized displacements are analytically determined, based on the differential equilibrium equations of the higher-order shear beam. This approach effectively circumvents numerical errors that can arise from finite element discretization. Furthermore, the model introduces a stress equilibrium equation to accurately depict the distribution of transverse shear stress across the beam thickness. A corrected shear stiffness, which takes into account rational shear stress, is derived and incorporated into the proposed beam element. Numerical examples underscore the accuracy and efficacy of the proposed higher-order beam element model in the static analysis of functionally graded sandwich beams, particularly in terms of true transverse shear stress distribution.
Deep learning is usually described as an experiment-driven field under continuous criticizes of lacking theoretical foundations. This problem has been partially fixed by a large volume of literature which has so far not been well organized. This paper reviews and organizes the recent advances in deep learning theory. The literature is categorized in six groups: (1) complexity and capacity-based approaches for analyzing the generalizability of deep learning; (2) stochastic differential equations and their dynamic systems for modelling stochastic gradient descent and its variants, which characterize the optimization and generalization of deep learning, partially inspired by Bayesian inference; (3) the geometrical structures of the loss landscape that drives the trajectories of the dynamic systems; (4) the roles of over-parameterization of deep neural networks from both positive and negative perspectives; (5) theoretical foundations of several special structures in network architectures; and (6) the increasingly intensive concerns in ethics and security and their relationships with generalizability.