Partial Differential Equations (PDEs) describe several problems relevant to many fields of applied sciences, and their discrete counterparts typically involve the solution of sparse linear systems. In this context, we focus on the analysis of the computational aspects related to the solution of large and sparse linear systems with HPC solvers, by considering the performances of direct and iterative solvers in terms of computational efficiency, scalability, and numerical accuracy. Our aim is to identify the main criteria to support application-domain specialists in the selection of the most suitable solvers, according to the application requirements and available resources. To this end, we discuss how the numerical solver is affected by the regular/irregular discretisation of the input domain, the discretisation of the input PDE with piecewise linear or polynomial basis functions, which generally result in a higher/lower sparsity of the coefficient matrix, and the choice of different initial conditions, which are associated with linear systems with multiple right-hand side terms. Finally, our analysis is independent of the characteristics of the underlying computational architectures, and provides a methodological approach that can be applied to different classes of PDEs or with approximation problems.
The work is devoted to the construction of a new interval arithmetic which would combine algorithmic efficiency and high quality estimation of the ranges of expressions.
We consider statistical models arising from the common set of solutions to a sparse polynomial system with general coefficients. The maximum likelihood degree counts the number of critical points of the likelihood function restricted to the model. We prove the maximum likelihood degree of a sparse polynomial system is determined by its Newton polytopes and equals the mixed volume of a related Lagrange system of equations.
Numerical solution of heterogeneous Helmholtz problems presents various computational challenges, with descriptive theory remaining out of reach for many popular approaches. Robustness and scalability are key for practical and reliable solvers in large-scale applications, especially for large wave number problems. In this work we explore the use of a GenEO-type coarse space to build a two-level additive Schwarz method applicable to highly indefinite Helmholtz problems. Through a range of numerical tests on a 2D model problem, discretised by finite elements on pollution-free meshes, we observe robust convergence, iteration counts that do not increase with the wave number, and good scalability of our approach. We further provide results showing a favourable comparison with the DtN coarse space. Our numerical study shows promise that our solver methodology can be effective for challenging heterogeneous applications.
This paper presents new deterministic and distributed low-diameter decomposition algorithms for weighted graphs. In particular, we show that if one can efficiently compute approximate distances in a parallel or a distributed setting, one can also efficiently compute low-diameter decompositions. This consequently implies solutions to many fundamental distance based problems using a polylogarithmic number of approximate distance computations. Our low-diameter decomposition generalizes and extends the line of work starting from [Rozho\v{n}, Ghaffari STOC 2020] to weighted graphs in a very model-independent manner. Moreover, our clustering results have additional useful properties, including strong-diameter guarantees, separation properties, restricting cluster centers to specified terminals, and more. Applications include: -- The first near-linear work and polylogarithmic depth randomized and deterministic parallel algorithm for low-stretch spanning trees (LSST) with polylogarithmic stretch. Previously, the best parallel LSST algorithm required $m \cdot n^{o(1)}$ work and $n^{o(1)}$ depth and was inherently randomized. No deterministic LSST algorithm with truly sub-quadratic work and sub-linear depth was known. -- The first near-linear work and polylogarithmic depth deterministic algorithm for computing an $\ell_1$-embedding into polylogarithmic dimensional space with polylogarithmic distortion. The best prior deterministic algorithms for $\ell_1$-embeddings either require large polynomial work or are inherently sequential. Even when we apply our techniques to the classical problem of computing a ball-carving with strong-diameter $O(\log^2 n)$ in an unweighted graph, our new clustering algorithm still leads to an improvement in round complexity from $O(\log^{10} n)$ rounds [Chang, Ghaffari PODC 21] to $O(\log^{4} n)$.
We describe a numerical algorithm for approximating the equilibrium-reduced density matrix and the effective (mean force) Hamiltonian for a set of system spins coupled strongly to a set of bath spins when the total system (system+bath) is held in canonical thermal equilibrium by weak coupling with a "super-bath". Our approach is a generalization of now standard typicality algorithms for computing the quantum expectation value of observables of bare quantum systems via trace estimators and Krylov subspace methods. In particular, our algorithm makes use of the fact that the reduced system density, when the bath is measured in a given random state, tends to concentrate about the corresponding thermodynamic averaged reduced system density. Theoretical error analysis and numerical experiments are given to validate the accuracy of our algorithm. Further numerical experiments demonstrate the potential of our approach for applications including the study of quantum phase transitions and entanglement entropy for long-range interaction systems.
The instrumental variable method is widely used in the health and social sciences for identification and estimation of causal effects in the presence of potentially unmeasured confounding. In order to improve efficiency, multiple instruments are routinely used, leading to concerns about bias due to possible violation of the instrumental variable assumptions. To address this concern, we introduce a new class of g-estimators that are guaranteed to remain consistent and asymptotically normal for the causal effect of interest provided that a set of at least $\gamma$ out of $K$ candidate instruments are valid, for $\gamma\leq K$ set by the analyst ex ante, without necessarily knowing the identities of the valid and invalid instruments. We provide formal semiparametric efficiency theory supporting our results. Both simulation studies and applications to the UK Biobank data demonstrate the superior empirical performance of our estimators compared to competing methods.
A High-dimensional and sparse (HiDS) matrix is frequently encountered in a big data-related application like an e-commerce system or a social network services system. To perform highly accurate representation learning on it is of great significance owing to the great desire of extracting latent knowledge and patterns from it. Latent factor analysis (LFA), which represents an HiDS matrix by learning the low-rank embeddings based on its observed entries only, is one of the most effective and efficient approaches to this issue. However, most existing LFA-based models perform such embeddings on a HiDS matrix directly without exploiting its hidden graph structures, thereby resulting in accuracy loss. To address this issue, this paper proposes a graph-incorporated latent factor analysis (GLFA) model. It adopts two-fold ideas: 1) a graph is constructed for identifying the hidden high-order interaction (HOI) among nodes described by an HiDS matrix, and 2) a recurrent LFA structure is carefully designed with the incorporation of HOI, thereby improving the representa-tion learning ability of a resultant model. Experimental results on three real-world datasets demonstrate that GLFA outperforms six state-of-the-art models in predicting the missing data of an HiDS matrix, which evidently supports its strong representation learning ability to HiDS data.
The stochastic gradient Langevin Dynamics is one of the most fundamental algorithms to solve sampling problems and non-convex optimization appearing in several machine learning applications. Especially, its variance reduced versions have nowadays gained particular attention. In this paper, we study two variants of this kind, namely, the Stochastic Variance Reduced Gradient Langevin Dynamics and the Stochastic Recursive Gradient Langevin Dynamics. We prove their convergence to the objective distribution in terms of KL-divergence under the sole assumptions of smoothness and Log-Sobolev inequality which are weaker conditions than those used in prior works for these algorithms. With the batch size and the inner loop length set to $\sqrt{n}$, the gradient complexity to achieve an $\epsilon$-precision is $\tilde{O}((n+dn^{1/2}\epsilon^{-1})\gamma^2 L^2\alpha^{-2})$, which is an improvement from any previous analyses. We also show some essential applications of our result to non-convex optimization.
Given a matrix $A$ and vector $b$ with polynomial entries in $d$ real variables $\delta=(\delta_1,\ldots,\delta_d)$ we consider the following notion of feasibility: the pair $(A,b)$ is locally feasible if there exists an open neighborhood $U$ of $0$ such that for every $\delta\in U$ there exists $x$ satisfying $A(\delta)x\ge b(\delta)$ entry-wise. For $d=1$ we construct a polynomial time algorithm for deciding local feasibility. For $d \ge 2$ we show local feasibility is NP-hard. As an application (which was the primary motivation for this work) we give a computer-assisted proof of ergodicity of the following elementary 1D cellular automaton: given the current state $\eta_t \in \{0,1\}^{\mathbb{Z}}$ the next state $\eta_{t+1}(n)$ at each vertex $n\in \mathbb{Z}$ is obtained by $\eta_{t+1}(n)= \text{NAND}\big(\text{BSC}_\delta(\eta_t(n-1)), \text{BSC}_\delta(\eta_t(n))\big)$. Here the binary symmetric channel $\text{BSC}_\delta$ takes a bit as input and flips it with probability $\delta$ (and leaves it unchanged with probability $1-\delta$). We also consider the problem of broadcasting information on the 2D-grid of noisy binary-symmetric channels $\text{BSC}_\delta$, where each node may apply an arbitrary processing function to its input bits. We prove that there exists $\delta_0'>0$ such that for all noise levels $0<\delta<\delta_0'$ it is impossible to broadcast information for any processing function, as conjectured in Makur, Mossel, Polyanskiy (ISIT 2021).
In 1954, Alston S. Householder published Principles of Numerical Analysis, one of the first modern treatments on matrix decomposition that favored a (block) LU decomposition-the factorization of a matrix into the product of lower and upper triangular matrices. And now, matrix decomposition has become a core technology in machine learning, largely due to the development of the back propagation algorithm in fitting a neural network. The sole aim of this survey is to give a self-contained introduction to concepts and mathematical tools in numerical linear algebra and matrix analysis in order to seamlessly introduce matrix decomposition techniques and their applications in subsequent sections. However, we clearly realize our inability to cover all the useful and interesting results concerning matrix decomposition and given the paucity of scope to present this discussion, e.g., the separated analysis of the Euclidean space, Hermitian space, Hilbert space, and things in the complex domain. We refer the reader to literature in the field of linear algebra for a more detailed introduction to the related fields.