As a consequence of Bloch's theorem, the numerical computation of the fermionic ground state density matrices and energies of periodic Schrodinger operators involves integrals over the Brillouin zone. These integrals are difficult to compute numerically in metals due to discontinuities in the integrand. We perform an error analysis of several widely-used quadrature rules and smearing methods for Brillouin zone integration. We precisely identify the assumptions implicit in these methods and rigorously prove error bounds. Numerical results for two-dimensional periodic systems are also provided. Our results shed light on the properties of these numerical schemes, and provide guidance as to the appropriate choice of numerical parameters.
We devise a fast algorithm for the gradient of the long-time-average statistics of chaotic systems, with cost almost independent of the number of parameters. It runs on one sample orbit; its cost is linear to the unstable dimension. The algorithm is based on two theoretical results in this paper: the adjoint shadowing lemma for the shadowing contribution and the fast adjoint formula for the unstable divergence in the linear response.
A second order accurate, linear numerical method is analyzed for the Landau-Lifshitz equation with large damping parameters. This equation describes the dynamics of magnetization, with a non-convexity constraint of unit length of the magnetization. The numerical method is based on the second-order backward differentiation formula in time, combined with an implicit treatment of the linear diffusion term and explicit extrapolation for the nonlinear terms. Afterward, a projection step is applied to normalize the numerical solution at a point-wise level. This numerical scheme has shown extensive advantages in the practical computations for the physical model with large damping parameters, which comes from the fact that only a linear system with constant coefficients (independent of both time and the updated magnetization) needs to be solved at each time step, and has greatly improved the numerical efficiency. Meanwhile, a theoretical analysis for this linear numerical scheme has not been available. In this paper, we provide a rigorous error estimate of the numerical scheme, in the discrete $\ell^{\infty}(0,T; \ell^2) \cap \ell^2(0,T; H_h^1)$ norm, under suitable regularity assumptions and reasonable ratio between the time step-size and the spatial mesh-size. In particular, the projection operation is nonlinear, and a stability estimate for the projection step turns out to be highly challenging. Such a stability estimate is derived in details, which will play an essential role in the convergence analysis for the numerical scheme, if the damping parameter is greater than 3.
We introduce a framework for linear precoder design over a massive multiple-input multiple-output downlink system in the presence of nonlinear power amplifiers (PAs). By studying the spatial characteristics of the distortion, we demonstrate that conventional linear precoding techniques steer nonlinear distortions towards the users. We show that, by taking into account PA nonlinearity, one can design linear precoders that reduce, and in single-user scenarios, even completely remove the distortion transmitted in the direction of the users. This, however, is achieved at the price of a reduced array gain. To address this issue, we present precoder optimization algorithms that simultaneously take into account the effects of array gain, distortion, multiuser interference, and receiver noise. Specifically, we derive an expression for the achievable sum rate and propose an iterative algorithm that attempts to find the precoding matrix which maximizes this expression. Moreover, using a model for PA power consumption, we propose an algorithm that attempts to find the precoding matrix that minimizes the consumed power for a given minimum achievable sum rate. Our numerical results demonstrate that the proposed distortion-aware precoding techniques provide significant improvements in spectral and energy efficiency compared to conventional linear precoders.
Statistical machine learning models trained with stochastic gradient algorithms are increasingly being deployed in critical scientific applications. However, computing the stochastic gradient in several such applications is highly expensive or even impossible at times. In such cases, derivative-free or zeroth-order algorithms are used. An important question which has thus far not been addressed sufficiently in the statistical machine learning literature is that of equipping stochastic zeroth-order algorithms with practical yet rigorous inferential capabilities so that we not only have point estimates or predictions but also quantify the associated uncertainty via confidence intervals or sets. Towards this, in this work, we first establish a central limit theorem for Polyak-Ruppert averaged stochastic zeroth-order gradient algorithm. We then provide online estimators of the asymptotic covariance matrix appearing in the central limit theorem, thereby providing a practical procedure for constructing asymptotically valid confidence sets (or intervals) for parameter estimation (or prediction) in the zeroth-order setting.
In this work, we address the problem of finding globally optimal power allocation strategies to maximize the users sum-rate (SR) as well as system energy efficiency (EE) in the downlink of single-cell multicarrier non-orthogonal multiple access (MC-NOMA) systems. Each NOMA cluster includes a set of users in which the well-known superposition coding (SC) combined with successive interference cancellation (SIC) technique is applied among them. By obtaining the closed-form expression of intra-cluster power allocation, we show that MC-NOMA can be equivalently transformed to a virtual orthogonal multiple access (OMA) system, where the effective channel gain of these virtual OMA users is obtained in closed-form. Then, the SR and EE maximization problems are solved by using very fast water-filling and Dinkelbach algorithms, respectively. The equivalent transformation of MC-NOMA to the virtual OMA system brings new theoretical insights, which are discussed throughout the paper. The extensions of our analysis to other scenarios, such as considering users rate fairness, admission control, long-term performance, and a number of future next-generation multiple access (NGMA) schemes enabling recent advanced technologies, e.g., reconfigurable intelligent surfaces are discussed. Extensive numerical results are provided to show the performance gaps between single-carrier NOMA (SC-NOMA), OMA-NOMA, and OMA.
We introduce a new numerical method, based on Bernoulli polynomials, for solving multiterm variable-order fractional differential equations. The variable-order fractional derivative was considered in the Caputo sense, while the Riemann--Liouville integral operator was used to give approximations for the unknown function and its variable-order derivatives. An operational matrix of variable-order fractional integration was introduced for the Bernoulli functions. By assuming that the solution of the problem is sufficiently smooth, we approximated a given order of its derivative using Bernoulli polynomials. Then, we used the introduced operational matrix to find some approximations for the unknown function and its derivatives. Using these approximations and some collocation points, the problem was reduced to the solution of a system of nonlinear algebraic equations. An error estimate is given for the approximate solution obtained by the proposed method. Finally, five illustrative examples were considered to demonstrate the applicability and high accuracy of the proposed technique, comparing our results with the ones obtained by existing methods in the literature and making clear the novelty of the work. The numerical results showed that the new method is efficient, giving high-accuracy approximate solutions even with a small number of basis functions and when the solution to the problem is not infinitely differentiable, providing better results and a smaller number of basis functions when compared to state-of-the-art methods.
In this paper, we study an initial-boundary value problem of Kirchhoff type involving memory term for non-homogeneous materials. The purpose of this research is threefold. First, we prove the existence and uniqueness of weak solutions to the problem using the Galerkin method. Second, to obtain numerical solutions efficiently, we develop a L1 type backward Euler-Galerkin FEM, which is $O(h+k^{2-\alpha})$ accurate, where $\alpha~ (0<\alpha<1)$ is the order of fractional time derivative, $h$ and $k$ are the discretization parameters for space and time directions, respectively. Next, to achieve the optimal rate of convergence in time, we propose a fractional Crank-Nicolson-Galerkin FEM based on L2-1$_{\sigma}$ scheme. We prove that the numerical solutions of this scheme converge to the exact solution with accuracy $O(h+k^{2})$. We also derive a priori bounds on numerical solutions for the proposed schemes. Finally, some numerical experiments are conducted to validate our theoretical claims.
In the recent years, zero-correlation zone (ZCZ) sequences have been studied broadly due to their significant application in quasi-synchronous code-division multiple access (QS-CDMA) systems. In this paper, we propose a direct construction of ZCZ sequences of prime-power-length using multivariable functions. In the proposed construction, we first propose a class of multivariable functions to generate a finite number of vectors having some specific properties which is further used to generate another class of multivariable functions to generate the desired ZCZ sequence sets. The proposed construction achieve the upper bound of $NZ\leq L$ asymptotically where $N,Z,$ and $L$ are number of sequences, ZCZ width, and length of sequence respectively. The constructed ZCZ sequence set is optimal for power of two length and asymptotically optimal for non power of two length. Additionally, we introduce a linear code that corresponds to the constructed ZCZ sequence set.
The recovery of sparse data is at the core of many applications in machine learning and signal processing. While such problems can be tackled using $\ell_1$-regularization as in the LASSO estimator and in the Basis Pursuit approach, specialized algorithms are typically required to solve the corresponding high-dimensional non-smooth optimization for large instances. Iteratively Reweighted Least Squares (IRLS) is a widely used algorithm for this purpose due its excellent numerical performance. However, while existing theory is able to guarantee convergence of this algorithm to the minimizer, it does not provide a global convergence rate. In this paper, we prove that a variant of IRLS converges with a global linear rate to a sparse solution, i.e., with a linear error decrease occurring immediately from any initialization, if the measurements fulfill the usual null space property assumption. We support our theory by numerical experiments showing that our linear rate captures the correct dimension dependence. We anticipate that our theoretical findings will lead to new insights for many other use cases of the IRLS algorithm, such as in low-rank matrix recovery.
This paper investigates the problem of online statistical inference of model parameters in stochastic optimization problems via the Kiefer-Wolfowitz algorithm with random search directions. We first present the asymptotic distribution for the Polyak-Ruppert-averaging type Kiefer-Wolfowitz (AKW) estimators, whose asymptotic covariance matrices depend on the function-value query complexity and the distribution of search directions. The distributional result reflects the trade-off between statistical efficiency and function query complexity. We further analyze the choices of random search directions to minimize the asymptotic covariance matrix, and conclude that the optimal search direction depends on the optimality criteria with respect to different summary statistics of the Fisher information matrix. Based on the asymptotic distribution result, we conduct online statistical inference by providing two construction procedures of valid confidence intervals. We provide numerical experiments verifying our theoretical results with the practical effectiveness of the procedures.