We analyze why the discretization of linear transport with asymmetric Hermite basis functions can be instable in quadratic norm. The main reason is that the finite truncation of the infinite moment linear system looses the skew-symmetry property with respect to the Gram matrix. Then we propose an original closed formula for the scalar product of any pair of asymmetric basis functions. It makes possible the construction of two simple modifications of the linear systems which recover the skew-symmetry property. By construction the new methods are quadratically stable with respect to the natural $L^2$ norm. We explain how to generalize to other transport equations encountered in numerical plasma physics. Basic numerical tests illustrate the unconditional stability properties of our algorithms.
We introduce an algorithm that simplifies the construction of efficient estimators, making them accessible to a broader audience. 'Dimple' takes as input computer code representing a parameter of interest and outputs an efficient estimator. Unlike standard approaches, it does not require users to derive a functional derivative known as the efficient influence function. Dimple avoids this task by applying automatic differentiation to the statistical functional of interest. Doing so requires expressing this functional as a composition of primitives satisfying a novel differentiability condition. Dimple also uses this composition to determine the nuisances it must estimate. In software, primitives can be implemented independently of one another and reused across different estimation problems. We provide a proof-of-concept Python implementation and showcase through examples how it allows users to go from parameter specification to efficient estimation with just a few lines of code.
Precision matrices are crucial in many fields such as social networks, neuroscience, and economics, representing the edge structure of Gaussian graphical models (GGMs), where a zero in an off-diagonal position of the precision matrix indicates conditional independence between nodes. In high-dimensional settings where the dimension of the precision matrix $p$ exceeds the sample size $n$ and the matrix is sparse, methods like graphical Lasso, graphical SCAD, and CLIME are popular for estimating GGMs. While frequentist methods are well-studied, Bayesian approaches for (unstructured) sparse precision matrices are less explored. The graphical horseshoe estimate by \citet{li2019graphical}, applying the global-local horseshoe prior, shows superior empirical performance, but theoretical work for sparse precision matrix estimations using shrinkage priors is limited. This paper addresses these gaps by providing concentration results for the tempered posterior with the fully specified horseshoe prior in high-dimensional settings. Moreover, we also provide novel theoretical results for model misspecification, offering a general oracle inequality for the posterior.
Dimension reduction is crucial in functional data analysis (FDA). The key tool to reduce the dimension of the data is functional principal component analysis. Existing approaches for functional principal component analysis usually involve the diagonalization of the covariance operator. With the increasing size and complexity of functional datasets, estimating the covariance operator has become more challenging. Therefore, there is a growing need for efficient methodologies to estimate the eigencomponents. Using the duality of the space of observations and the space of functional features, we propose to use the inner-product between the curves to estimate the eigenelements of multivariate and multidimensional functional datasets. The relationship between the eigenelements of the covariance operator and those of the inner-product matrix is established. We explore the application of these methodologies in several FDA settings and provide general guidance on their usability.
The state vector-based simulation offers a convenient approach to developing and validating quantum algorithms with noise-free results. However, limited by the absence of cache-aware implementations and unpolished circuit optimizations, the past simulators were severely constrained in performance, leading to stagnation in quantum computing. In this paper, we present an innovative quantum circuit simulation toolkit comprising gate optimization and simulation modules to address these performance challenges. For the performance, scalability, and comprehensive evaluation, we conduct a series of particular circuit benchmarks and strong scaling tests on a DGX-A100 workstation and achieve averaging 9 times speedup compared to state-of-the-art simulators, including QuEST, IBM-Aer, and NVIDIA-cuQuantum. Moreover, the critical performance metric FLOPS increases by up to a factor of 8-fold, and arithmetic intensity experiences a remarkable 96x enhancement. We believe the proposed toolkit paves the way for faster quantum circuit simulations, thereby facilitating the development of novel quantum algorithms.
This paper presents a dissipativeness analysis of a quadrature method of moments (called HyQMOM) for the one-dimensional BGK equation. The method has exhibited its good performance in numerous applications. However, its mathematical foundation has not been clarified. Here we present an analytical proof of the strict hyperbolicity of the HyQMOM-induced moment closure systems by introducing a polynomial-based closure technique. As a byproduct, a class of numerical schemes for the HyQMOM system is shown to be realizability preserving under CFL-type conditions. We also show that the system preserves the dissipative properties of the kinetic equation by verifying a certain structural stability condition. The proof uses a newly introduced affine invariance and the homogeneity of the HyQMOM and heavily relies on the theory of orthogonal polynomials associated with realizable moments, in particular, the moments of the standard normal distribution.
We propose a framework to perform Bayesian inference using conditional score-based diffusion models to solve a class of inverse problems in mechanics involving the inference of a specimen's spatially varying material properties from noisy measurements of its mechanical response to loading. Conditional score-based diffusion models are generative models that learn to approximate the score function of a conditional distribution using samples from the joint distribution. More specifically, the score functions corresponding to multiple realizations of the measurement are approximated using a single neural network, the so-called score network, which is subsequently used to sample the posterior distribution using an appropriate Markov chain Monte Carlo scheme based on Langevin dynamics. Training the score network only requires simulating the forward model. Hence, the proposed approach can accommodate black-box forward models and complex measurement noise. Moreover, once the score network has been trained, it can be re-used to solve the inverse problem for different realizations of the measurements. We demonstrate the efficacy of the proposed approach on a suite of high-dimensional inverse problems in mechanics that involve inferring heterogeneous material properties from noisy measurements. Some examples we consider involve synthetic data, while others include data collected from actual elastography experiments. Further, our applications demonstrate that the proposed approach can handle different measurement modalities, complex patterns in the inferred quantities, non-Gaussian and non-additive noise models, and nonlinear black-box forward models. The results show that the proposed framework can solve large-scale physics-based inverse problems efficiently.
Complex conjugate matrix equations (CCME) have aroused the interest of many researchers because of computations and antilinear systems. Existing research is dominated by its time-invariant solving methods, but lacks proposed theories for solving its time-variant version. Moreover, artificial neural networks are rarely studied for solving CCME. In this paper, starting with the earliest CCME, zeroing neural dynamics (ZND) is applied to solve its time-variant version. Firstly, the vectorization and Kronecker product in the complex field are defined uniformly. Secondly, Con-CZND1 model and Con-CZND2 model are proposed and theoretically prove convergence and effectiveness. Thirdly, three numerical experiments are designed to illustrate the effectiveness of the two models, compare their differences, highlight the significance of neural dynamics in the complex field, and refine the theory related to ZND.
Two numerical schemes are proposed and investigated for the Yang--Mills equations, which can be seen as a nonlinear generalisation of the Maxwell equations set on Lie algebra-valued functions, with similarities to certain formulations of General Relativity. Both schemes are built on the Discrete de Rham (DDR) method, and inherit from its main features: an arbitrary order of accuracy, and applicability to generic polyhedral meshes. They make use of the complex property of the DDR, together with a Lagrange-multiplier approach, to preserve, at the discrete level, a nonlinear constraint associated with the Yang--Mills equations. We also show that the schemes satisfy a discrete energy dissipation (the dissipation coming solely from the implicit time stepping). Issues around the practical implementations of the schemes are discussed; in particular, the assembly of the local contributions in a way that minimises the price we pay in dealing with nonlinear terms, in conjunction with the tensorisation coming from the Lie algebra. Numerical tests are provided using a manufactured solution, and show that both schemes display a convergence in $L^2$-norm of the potential and electrical fields in $\mathcal O(h^{k+1})$ (provided that the time step is of that order), where $k$ is the polynomial degree chosen for the DDR complex. We also numerically demonstrate the preservation of the constraint.
PEPit is a Python package aiming at simplifying the access to worst-case analyses of a large family of first-order optimization methods possibly involving gradient, projection, proximal, or linear optimization oracles, along with their approximate, or Bregman variants. In short, PEPit is a package enabling computer-assisted worst-case analyses of first-order optimization methods. The key underlying idea is to cast the problem of performing a worst-case analysis, often referred to as a performance estimation problem (PEP), as a semidefinite program (SDP) which can be solved numerically. To do that, the package users are only required to write first-order methods nearly as they would have implemented them. The package then takes care of the SDP modeling parts, and the worst-case analysis is performed numerically via a standard solver.
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.