Kernel matrices, which arise from discretizing a kernel function $k(x,x')$, have a variety of applications in mathematics and engineering. Classically, the celebrated fast multipole method was designed to perform matrix multiplication on kernel matrices of dimension $N$ in time almost linear in $N$ by using techniques later generalized into the linear algebraic framework of hierarchical matrices. In light of this success, we propose a quantum algorithm for efficiently performing matrix operations on hierarchical matrices by implementing a quantum block-encoding of the hierarchical matrix structure. When applied to many kernel matrices, our quantum algorithm can solve quantum linear systems of dimension $N$ in time $O(\kappa \operatorname{polylog}(\frac{N}{\varepsilon}))$, where $\kappa$ and $\varepsilon$ are the condition number and error bound of the matrix operation. This runtime is exponentially faster than any existing quantum algorithms for implementing dense kernel matrices. Finally, we discuss possible applications of our methodology in solving integral equations or accelerating computations in N-body problems.
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The perfectly matched layer (PML) formulation is a prominent way of handling radiation problems in unbounded domain and has gained interest due to its simple implementation in finite element codes. However, its simplicity can be advanced further using the isogeometric framework. This work presents a spline based PML formulation which avoids additional coordinate transformation as the formulation is based on the same space in which the numerical solution is sought. The procedure can be automated for any convex artificial boundary. This removes restrictions on the domain construction using PML and can therefore reduce computational cost and improve mesh quality. The usage of spline basis functions with higher continuity also improves the accuracy of the numerical solution.
The hard thresholding technique plays a vital role in the development of algorithms for sparse signal recovery. By merging this technique and heavy-ball acceleration method which is a multi-step extension of the traditional gradient descent method, we propose the so-called heavy-ball-based hard thresholding (HBHT) and heavy-ball-based hard thresholding pursuit (HBHTP) algorithms for signal recovery. It turns out that the HBHT and HBHTP can successfully recover a $k$-sparse signal if the restricted isometry constant of the measurement matrix satisfies $\delta_{3k}<0.618 $ and $\delta_{3k}<0.577,$ respectively. The guaranteed success of HBHT and HBHTP is also shown under the conditions $\delta_{2k}<0.356$ and $\delta_{2k}<0.377,$ respectively. Moreover, the finite convergence and stability of the two algorithms are also established in this paper. Simulations on random problem instances are performed to compare the performance of the proposed algorithms and several existing ones. Empirical results indicate that the HBHTP performs very comparably to a few existing algorithms and it takes less average time to achieve the signal recovery than these existing methods.
We introduce a family of pairwise stochastic gradient estimators for gradients of expectations, which are related to the log-derivative trick, but involve pairwise interactions between samples. The simplest example of our new estimator, dubbed the fundamental trick estimator, is shown to arise from either a) introducing and approximating an integral representation based on the fundamental theorem of calculus, or b) applying the reparameterisation trick to an implicit parameterisation under infinitesimal perturbation of the parameters. From the former perspective we generalise to a reproducing kernel Hilbert space representation, giving rise to a locality parameter in the pairwise interactions mentioned above, yielding our representer trick estimator. The resulting estimators are unbiased and shown to offer an independent component of useful information in comparison with the log-derivative estimator. We provide a further novel theoretical analysis which further characterises the variance reduction afforded by the new techniques. Promising analytical and numerical examples confirm the theory and intuitions behind the new estimators.
Persistent homology is an important methodology from topological data analysis which adapts theory from algebraic topology to data settings and has been successfully implemented in many applications. It produces a statistical summary in the form of a persistence diagram, which captures the shape and size of the data. Despite its widespread use, persistent homology is simply impossible to implement when a dataset is very large. In this paper we address the problem of finding a representative persistence diagram for prohibitively large datasets. We adapt the classical statistical method of bootstrapping, namely, drawing and studying smaller multiple subsamples from the large dataset. We show that the mean of the persistence diagrams of subsamples -- taken as a mean persistence measure computed from the subsamples -- is a valid approximation of the true persistent homology of the larger dataset. We give the rate of convergence of the mean persistence diagram to the true persistence diagram in terms of the number of subsamples and size of each subsample. Given the complex algebraic and geometric nature of persistent homology, we adapt the convexity and stability properties in the space of persistence diagrams together with random set theory to achieve our theoretical results for the general setting of point cloud data. We demonstrate our approach on simulated and real data, including an application of shape clustering on complex large-scale point cloud data.
Continuous-time measurements are instrumental for a multitude of tasks in quantum engineering and quantum control, including the estimation of dynamical parameters of open quantum systems monitored through the environment. However, such measurements do not extract the maximum amount of information available in the output state, so finding alternative optimal measurement strategies is a major open problem. In this paper we solve this problem in the setting of discrete-time input-output quantum Markov chains. We present an efficient algorithm for optimal estimation of one-dimensional dynamical parameters which consists of an iterative procedure for updating a `measurement filter' operator and determining successive measurement bases for the output units. A key ingredient of the scheme is the use of a coherent quantum absorber as a way to post-process the output after the interaction with the system. This is designed adaptively such that the joint system and absorber stationary state is pure at a reference parameter value. The scheme offers an exciting prospect for optimal continuous-time adaptive measurements, but more work is needed to find realistic practical implementations.
The success of large-scale models in recent years has increased the importance of statistical models with numerous parameters. Several studies have analyzed over-parameterized linear models with high-dimensional data that may not be sparse; however, existing results depend on the independent setting of samples. In this study, we analyze a linear regression model with dependent time series data under over-parameterization settings. We consider an estimator via interpolation and developed a theory for excess risk of the estimator under multiple dependence types. This theory can treat infinite-dimensional data without sparsity and handle long-memory processes in a unified manner. Moreover, we bound the risk in our theory via the integrated covariance and nondegeneracy of autocorrelation matrices. The results show that the convergence rate of risks with short-memory processes is identical to that of cases with independent data, while long-memory processes slow the convergence rate. We also present several examples of specific dependent processes that can be applied to our setting.
Many existing algorithms for streaming geometric data analysis have been plagued by exponential dependencies in the space complexity, which are undesirable for processing high-dimensional data sets. In particular, once $d\geq\log n$, there are no known non-trivial streaming algorithms for problems such as maintaining convex hulls and L\"owner-John ellipsoids of $n$ points, despite a long line of work in streaming computational geometry since [AHV04]. We simultaneously improve these results to $\mathrm{poly}(d,\log n)$ bits of space by trading off with a $\mathrm{poly}(d,\log n)$ factor distortion. We achieve these results in a unified manner, by designing the first streaming algorithm for maintaining a coreset for $\ell_\infty$ subspace embeddings with $\mathrm{poly}(d,\log n)$ space and $\mathrm{poly}(d,\log n)$ distortion. Our algorithm also gives similar guarantees in the \emph{online coreset} model. Along the way, we sharpen results for online numerical linear algebra by replacing a log condition number dependence with a $\log n$ dependence, answering a question of [BDM+20]. Our techniques provide a novel connection between leverage scores, a fundamental object in numerical linear algebra, and computational geometry. For $\ell_p$ subspace embeddings, we give nearly optimal trade-offs between space and distortion for one-pass streaming algorithms. For instance, we give a deterministic coreset using $O(d^2\log n)$ space and $O((d\log n)^{1/2-1/p})$ distortion for $p>2$, whereas previous deterministic algorithms incurred a $\mathrm{poly}(n)$ factor in the space or the distortion [CDW18]. Our techniques have implications in the offline setting, where we give optimal trade-offs between the space complexity and distortion of subspace sketch data structures. To do this, we give an elementary proof of a "change of density" theorem of [LT80] and make it algorithmic.
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.
Kernel smooth is the most fundamental technique for data density and regression estimation. However, time-consuming is the biggest obstacle for the application that the direct evaluation of kernel smooth for $N$ samples needs ${O}\left( {{N}^{2}} \right)$ operations. People have developed fast smooth algorithms using the idea of binning with FFT. Unfortunately, the accuracy is not controllable, and the implementation for multivariable and its bandwidth selection for the fast method is not available. Hence, we introduce a new MATLAB toolbox for fast multivariate kernel regression with the idea of non-uniform FFT (NUFFT), which implemented the algorithm for $M$ gridding points with ${O}\left( N+M\log M \right)$ complexity and accuracy controllability. The bandwidth selection problem utilizes the Fast Monte-Carlo algorithm to estimate the degree of freedom (DF), saving enormous cross-validation time even better when data share the same grid space for multiple regression. Up to now, this is the first toolbox for fast-binning high-dimensional kernel regression. Moreover, the estimation for local polynomial regression, the conditional variance for the heteroscedastic model, and the complex-valued datasets are also implemented in this toolbox. The performance is demonstrated with simulations and an application on the quantitive EEG.
We propose a simple modification to the iterative hard thresholding (IHT) algorithm, which recovers asymptotically sparser solutions as a function of the condition number. When aiming to minimize a convex function $f(x)$ with condition number $\kappa$ subject to $x$ being an $s$-sparse vector, the standard IHT guarantee is a solution with relaxed sparsity $O(s\kappa^2)$, while our proposed algorithm, regularized IHT, returns a solution with sparsity $O(s\kappa)$. Our algorithm significantly improves over ARHT which also finds a solution of sparsity $O(s\kappa)$, as it does not require re-optimization in each iteration (and so is much faster), is deterministic, and does not require knowledge of the optimal solution value $f(x^*)$ or the optimal sparsity level $s$. Our main technical tool is an adaptive regularization framework, in which the algorithm progressively learns the weights of an $\ell_2$ regularization term that will allow convergence to sparser solutions. We also apply this framework to low rank optimization, where we achieve a similar improvement of the best known condition number dependence from $\kappa^2$ to $\kappa$.
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