From the literature, it is known that the choice of basis functions in hp-FEM heavily influences the computational cost in order to obtain an approximate solution. Depending on the choice of the reference element, suitable tensor product like basis functions of Jacobi polynomials with different weights lead to optimal properties due to condition number and sparsity. This paper presents biorthogonal basis functions to the primal basis functions mentioned above. The authors investigate hypercubes and simplices as reference elements, as well as the cases of $H^1$ and H(Curl). The functions can be expressed sums of tensor products of Jacobi polynomials with maximal two summands.
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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.
Score-based diffusion models have emerged as one of the most promising frameworks for deep generative modelling, due to their state-of-the art performance in many generation tasks while relying on mathematical foundations such as stochastic differential equations (SDEs) and ordinary differential equations (ODEs). Empirically, it has been reported that ODE based samples are inferior to SDE based samples. In this paper we rigorously describe the range of dynamics and approximations that arise when training score-based diffusion models, including the true SDE dynamics, the neural approximations, the various approximate particle dynamics that result, as well as their associated Fokker--Planck equations and the neural network approximations of these Fokker--Planck equations. We systematically analyse the difference between the ODE and SDE dynamics of score-based diffusion models, and link it to an associated Fokker--Planck equation. We derive a theoretical upper bound on the Wasserstein 2-distance between the ODE- and SDE-induced distributions in terms of a Fokker--Planck residual. We also show numerically that conventional score-based diffusion models can exhibit significant differences between ODE- and SDE-induced distributions which we demonstrate using explicit comparisons. Moreover, we show numerically that reducing the Fokker--Planck residual by adding it as an additional regularisation term leads to closing the gap between ODE- and SDE-induced distributions. Our experiments suggest that this regularisation can improve the distribution generated by the ODE, however that this can come at the cost of degraded SDE sample quality.
The recently proposed fixed-X knockoff is a powerful variable selection procedure that controls the false discovery rate (FDR) in any finite-sample setting, yet its theoretical insights are difficult to show beyond Gaussian linear models. In this paper, we make the first attempt to extend the fixed-X knockoff to partially linear models by using generalized knockoff features, and propose a new stability generalized knockoff (Stab-GKnock) procedure by incorporating selection probability as feature importance score. We provide FDR control and power guarantee under some regularity conditions. In addition, we propose a two-stage method under high dimensionality by introducing a new joint feature screening procedure, with guaranteed sure screening property. Extensive simulation studies are conducted to evaluate the finite-sample performance of the proposed method. A real data example is also provided for illustration.
We study the computational problem of rigorously describing the asymptotic behaviour of topological dynamical systems up to a finite but arbitrarily small pre-specified error. More precisely, we consider the limit set of a typical orbit, both as a spatial object (attractor set) and as a statistical distribution (physical measure), and prove upper bounds on the computational resources of computing descriptions of these objects with arbitrary accuracy. We also study how these bounds are affected by different dynamical constrains and provide several examples showing that our bounds are sharp in general. In particular, we exhibit a computable interval map having a unique transitive attractor with Cantor set structure supporting a unique physical measure such that both the attractor and the measure are non computable.
We study the long time behavior of an underdamped mean-field Langevin (MFL) equation, and provide a general convergence as well as an exponential convergence rate result under different conditions. The results on the MFL equation can be applied to study the convergence of the Hamiltonian gradient descent algorithm for the overparametrized optimization. We then provide a numerical example of the algorithm to train a generative adversarial networks (GAN).
A system of coupled oscillators on an arbitrary graph is locally driven by the tendency to mutual synchronization between nearby oscillators, but can and often exhibit nonlinear behavior on the whole graph. Understanding such nonlinear behavior has been a key challenge in predicting whether all oscillators in such a system will eventually synchronize. In this paper, we demonstrate that, surprisingly, such nonlinear behavior of coupled oscillators can be effectively linearized in certain latent dynamic spaces. The key insight is that there is a small number of `latent dynamics filters', each with a specific association with synchronizing and non-synchronizing dynamics on subgraphs so that any observed dynamics on subgraphs can be approximated by a suitable linear combination of such elementary dynamic patterns. Taking an ensemble of subgraph-level predictions provides an interpretable predictor for whether the system on the whole graph reaches global synchronization. We propose algorithms based on supervised matrix factorization to learn such latent dynamics filters. We demonstrate that our method performs competitively in synchronization prediction tasks against baselines and black-box classification algorithms, despite its simple and interpretable architecture.
We introduce numerical solvers for the steady-state Boltzmann equation based on the symmetric Gauss-Seidel (SGS) method. Due to the quadratic collision operator in the Boltzmann equation, the SGS method requires solving a nonlinear system on each grid cell, and we consider two methods, namely Newton's method and the fixed-point iteration, in our numerical tests. For small Knudsen numbers, our method has an efficiency between the classical source iteration and the modern generalized synthetic iterative scheme, and the complexity of its implementation is closer to the source iteration. A variety of numerical tests are carried out to demonstrate its performance, and it is concluded that the proposed method is suitable for applications with moderate to large Knudsen numbers.
The main reason for query model's prominence in complexity theory and quantum computing is the presence of concrete lower bounding techniques: polynomial and adversary method. There have been considerable efforts to give lower bounds using these methods, and to compare/relate them with other measures based on the decision tree. We explore the value of these lower bounds on quantum query complexity and their relation with other decision tree based complexity measures for the class of symmetric functions, arguably one of the most natural and basic sets of Boolean functions. We show an explicit construction for the dual of the positive adversary method and also of the square root of private coin certificate game complexity for any total symmetric function. This shows that the two values can't be distinguished for any symmetric function. Additionally, we show that the recently introduced measure of spectral sensitivity gives the same value as both positive adversary and approximate degree for every total symmetric Boolean function. Further, we look at the quantum query complexity of Gap Majority, a partial symmetric function. It has gained importance recently in regard to understanding the composition of randomized query complexity. We characterize the quantum query complexity of Gap Majority and show a lower bound on noisy randomized query complexity (Ben-David and Blais, FOCS 2020) in terms of quantum query complexity. Finally, we study how large certificate complexity and block sensitivity can be as compared to sensitivity for symmetric functions (even up to constant factors). We show tight separations, i.e., give upper bounds on possible separations and construct functions achieving the same.
We address the communication overhead of distributed sparse matrix-(multiple)-vector multiplication in the context of large-scale eigensolvers, using filter diagonalization as an example. The basis of our study is a performance model which includes a communication metric that is computed directly from the matrix sparsity pattern without running any code. The performance model quantifies to which extent scalability and parallel efficiency are lost due to communication overhead. To restore scalability, we identify two orthogonal layers of parallelism in the filter diagonalization technique. In the horizontal layer the rows of the sparse matrix are distributed across individual processes. In the vertical layer bundles of multiple vectors are distributed across separate process groups. An analysis in terms of the communication metric predicts that scalability can be restored if, and only if, one implements the two orthogonal layers of parallelism via different distributed vector layouts. Our theoretical analysis is corroborated by benchmarks for application matrices from quantum and solid state physics, road networks, and nonlinear programming. We finally demonstrate the benefits of using orthogonal layers of parallelism with two exemplary application cases -- an exciton and a strongly correlated electron system -- which incur either small or large communication overhead.
We construct and analyze finite element approximations of the Einstein tensor in dimension $N \ge 3$. We focus on the setting where a smooth Riemannian metric tensor $g$ on a polyhedral domain $\Omega \subset \mathbb{R}^N$ has been approximated by a piecewise polynomial metric $g_h$ on a simplicial triangulation $\mathcal{T}$ of $\Omega$ having maximum element diameter $h$. We assume that $g_h$ possesses single-valued tangential-tangential components on every codimension-1 simplex in $\mathcal{T}$. Such a metric is not classically differentiable in general, but it turns out that one can still attribute meaning to its Einstein curvature in a distributional sense. We study the convergence of the distributional Einstein curvature of $g_h$ to the Einstein curvature of $g$ under refinement of the triangulation. We show that in the $H^{-2}(\Omega)$-norm, this convergence takes place at a rate of $O(h^{r+1})$ when $g_h$ is an optimal-order interpolant of $g$ that is piecewise polynomial of degree $r \ge 1$. We provide numerical evidence to support this claim.
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