In this paper, we use the first-order virtual element method (VEM) to investigate the effect of shape quality of polyhedra in the estimation of the critical time step for explicit three-dimensional elastodynamic finite element simulations. Low-quality finite elements are common when meshing realistic complex components, and while tetrahedral meshing technology is generally robust, meshing algorithms cannot guarantee high-quality meshes for arbitrary geometries or for non-water-tight computer-aided design models. For reliable simulations on such meshes, we consider finite element meshes with tetrahedral and prismatic elements that have badly-shaped elements$-$tetrahedra with dihedral angles close to $0^\circ$ and $180^\circ$, and slender prisms with triangular faces that have short edges$-$and agglomerate such `bad' elements with neighboring elements to form a larger polyhedral virtual element. On each element of the mesh, the element-eigenvalue inequality is used to obtain an estimate of the critical time step. For a suite of illustrative finite element meshes with $\epsilon$ being a mesh-coordinate parameter that leads to poor mesh quality, we show that adopting VEM on the agglomerated polyhedra yield critical time steps that are insensitive as $\epsilon \rightarrow 0$. This study shows the promise of virtual element technology for reliable explicit finite element elastodynamic simulations on low-quality three-dimensional meshes.
We consider Broyden's method and some accelerated schemes for nonlinear equations having a strongly regular singularity of first order with a one-dimensional nullspace. Our two main results are as follows. First, we show that the use of a preceding Newton-like step ensures convergence for starting points in a starlike domain with density 1. This extends the domain of convergence of these methods significantly. Second, we establish that the matrix updates of Broyden's method converge q-linearly with the same asymptotic factor as the iterates. This contributes to the long-standing question whether the Broyden matrices converge by showing that this is indeed the case for the setting at hand. Furthermore, we prove that the Broyden directions violate uniform linear independence, which implies that existing results for convergence of the Broyden matrices cannot be applied. Numerical experiments of high precision confirm the enlarged domain of convergence, the q-linear convergence of the matrix updates, and the lack of uniform linear independence. In addition, they suggest that these results can be extended to singularities of higher order and that Broyden's method can converge r-linearly without converging q-linearly. The underlying code is freely available.
In this work we present a novel bulk-surface virtual element method (BSVEM) for the numerical approximation of elliptic bulk-surface partial differential equations (BSPDEs) in three space dimensions. The BSVEM is based on the discretisation of the bulk domain into polyhedral elements with arbitrarily many faces. The polyhedral approximation of the bulk induces a polygonal approximation of the surface. Firstly, we present a geometric error analysis of bulk-surface polyhedral meshes independent of the numerical method. Hence, we show that BSVEM has optimal second-order convergence in space, provided the exact solution is $H^{2+3/4}$ in the bulk and $H^2$ on the surface, where the additional $\frac{3}{4}$ is due to the combined effect of surface curvature and polyhedral elements close to the boundary. We show that general polyhedra can be exploited to reduce the computational time of the matrix assembly. To support our convergence results, a numerical example is presented which demonstrates optimal convergence of an elliptic BSPDE in three space dimensions.
In this paper we consider the spatial semi-discretization of conservative PDEs. Such finite dimensional approximations of infinite dimensional dynamical systems can be described as flows in suitable matrix spaces, which in turn leads to the need to solve polynomial matrix equations, a classical and important topic both in theoretical and in applied mathematics. Solving numerically these equations is challenging due to the presence of several conservation laws which our finite models incorporate and which must be retained while integrating the equations of motion. In the last thirty years, the theory of geometric integration has provided a variety of techniques to tackle this problem. These numerical methods require to solve both direct and inverse problems in matrix spaces. We present two algorithms to solve a cubic matrix equation arising in the geometric integration of isospectral flows. This type of ODEs includes finite models of ideal hydrodynamics, plasma dynamics, and spin particles, which we use as test problems for our algorithms.
In the immersed boundary (IB) approach to fluid-structure interaction modeling, the coupling between the fluid and structure variables is mediated using a regularized version of Dirac delta function. In the IB literature, the regularized delta functions, also referred to IB kernel functions, are either derived analytically from a set of postulates or computed numerically using the moving least squares (MLS) approach. Whereas the analytical derivations typically assume a regular Cartesian grid, the MLS method is a meshless technique that can be used to generate kernel functions on complex domains and unstructured meshes. In this note we take a viewpoint that IB kernel generation, either analytically or via MLS, is a constrained quadratic minimization problem. The extremization of a constrained quadratic function is a broader concept than kernel generation, and there are well-established numerical optimization techniques to solve this problem. For example, we show that the constrained quadratic minimization technique can be used to generate one-sided (anisotropic) IB kernels and/or to bound their values.
In Nonequilibrium Thermodynamics and Information Theory, the relative entropy (or, KL divergence) plays a very important role. Consider a H\"older Jacobian $J$ and the Ruelle (transfer) operator $\mathcal{L}_{\log J}.$ Two equilibrium probabilities $\mu_1$ and $\mu_2$, can interact via a discrete-time {\it Thermodynamic Operation} described by the action {\it of the dual of the Ruelle operator} $ \mathcal{L}_{\log J}^*$. We argue that the law $\mu \to \mathcal{L}_{\log J}^*(\mu)$, producing nonequilibrium, can be seen as a Thermodynamic Operation after showing that it's a manifestation of the Second Law of Thermodynamics. We also show that the change of relative entropy satisfies $$ D_{K L} (\mu_1,\mu_2) - D_{K L} (\mathcal{L}_{\log J}^*(\mu_1),\mathcal{L}_{\log J}^*(\mu_2))= 0.$$ Furthermore, we describe sufficient conditions on $J,\mu_1$ for getting $h(\mathcal{L}_{\log J}^*(\mu_1))\geq h(\mu_1)$, where $h$ is entropy. Recalling a natural Riemannian metric in the Banach manifold of H\"older equilibrium probabilities we exhibit the second-order Taylor formula for an infinitesimal tangent change of KL divergence; a crucial estimate in Information Geometry. We introduce concepts like heat, work, volume, pressure, and internal energy, which play here the role of the analogous ones in Thermodynamics of gases. We briefly describe the MaxEnt method.
Bregman proximal point algorithm (BPPA), as one of the centerpieces in the optimization toolbox, has been witnessing emerging applications. With simple and easy to implement update rule, the algorithm bears several compelling intuitions for empirical successes, yet rigorous justifications are still largely unexplored. We study the computational properties of BPPA through classification tasks with separable data, and demonstrate provable algorithmic regularization effects associated with BPPA. We show that BPPA attains non-trivial margin, which closely depends on the condition number of the distance generating function inducing the Bregman divergence. We further demonstrate that the dependence on the condition number is tight for a class of problems, thus showing the importance of divergence in affecting the quality of the obtained solutions. In addition, we extend our findings to mirror descent (MD), for which we establish similar connections between the margin and Bregman divergence. We demonstrate through a concrete example, and show BPPA/MD converges in direction to the maximal margin solution with respect to the Mahalanobis distance. Our theoretical findings are among the first to demonstrate the benign learning properties BPPA/MD, and also provide corroborations for a careful choice of divergence in the algorithmic design.
Population protocols are a model of distributed computation intended for the study of networks of independent computing agents with dynamic communication structure. Each agent has a finite number of states, and communication opportunities occur nondeterministically, allowing the agents involved to change their states based on each other's states. Population protocols are often studied in terms of reaching a consensus on whether the input configuration satisfied some predicate. A desirable property of a computation model is modularity, the ability to combine existing simpler computations in a straightforward way. In the present paper we present a more general notion of functionality implemented by a population protocol. This notion allows to design multiphase protocols as combinations of independently defined phases. The additional generality also increases the range of behaviours that can be captured in applications.
Satisfiability is considered the canonical NP-complete problem and is used as a starting point for hardness reductions in theory, while in practice heuristic SAT solving algorithms can solve large-scale industrial SAT instances very efficiently. This disparity between theory and practice is believed to be a result of inherent properties of industrial SAT instances that make them tractable. Two characteristic properties seem to be prevalent in the majority of real-world SAT instances, heterogeneous degree distribution and locality. To understand the impact of these two properties on SAT, we study the proof complexity of random k-SAT models that allow to control heterogeneity and locality. Our findings show that heterogeneity alone does not make SAT easy as heterogeneous random k-SAT instances have superpolynomial resolution size. This implies intractability of these instances for modern SAT-solvers. On the other hand, modeling locality with an underlying geometry leads to small unsatisfiable subformulas, which can be found within polynomial time. A key ingredient for the result on geometric random k-SAT can be found in the complexity of higher-order Voronoi diagrams. As an additional technical contribution, we show a linear upper bound on the number of non-empty Voronoi regions, that holds for points with random positions in a very general setting. In particular, it covers arbitrary p-norms, higher dimensions, and weights affecting the area of influence of each point multiplicatively. This is in stark contrast to quadratic lower bounds for the worst case.
The $(1 + (\lambda,\lambda))$ genetic algorithm is a younger evolutionary algorithm trying to profit also from inferior solutions. Rigorous runtime analyses on unimodal fitness functions showed that it can indeed be faster than classical evolutionary algorithms, though on these simple problems the gains were only moderate. In this work, we conduct the first runtime analysis of this algorithm on a multimodal problem class, the jump functions benchmark. We show that with the right parameters, the \ollga optimizes any jump function with jump size $2 \le k \le n/4$ in expected time $O(n^{(k+1)/2} e^{O(k)} k^{-k/2})$, which significantly and already for constant~$k$ outperforms standard mutation-based algorithms with their $\Theta(n^k)$ runtime and standard crossover-based algorithms with their $\tilde{O}(n^{k-1})$ runtime guarantee. For the isolated problem of leaving the local optimum of jump functions, we determine provably optimal parameters that lead to a runtime of $(n/k)^{k/2} e^{\Theta(k)}$. This suggests some general advice on how to set the parameters of the \ollga, which might ease the further use of this algorithm.
Generative adversarial nets (GANs) have generated a lot of excitement. Despite their popularity, they exhibit a number of well-documented issues in practice, which apparently contradict theoretical guarantees. A number of enlightening papers have pointed out that these issues arise from unjustified assumptions that are commonly made, but the message seems to have been lost amid the optimism of recent years. We believe the identified problems deserve more attention, and highlight the implications on both the properties of GANs and the trajectory of research on probabilistic models. We recently proposed an alternative method that sidesteps these problems.