Far-Field Compression for Fast Kernel Summation Methods in High Dimensions

We consider fast kernel summations in high dimensions: given a large set of points in $d$ dimensions (with $d \gg 3$) and a pair-potential function (the {\em kernel} function), we compute a weighted sum of all pairwise kernel interactions for each point in the set. Direct summation is equivalent to a (dense) matrix-vector multiplication and scales quadratically with the number of points. Fast kernel summation algorithms reduce this cost to log-linear or linear complexity. Treecodes and Fast Multipole Methods (FMMs) deliver tremendous speedups by constructing approximate representations of interactions of points that are far from each other. In algebraic terms, these representations correspond to low-rank approximations of blocks of the overall interaction matrix. Existing approaches require an excessive number of kernel evaluations with increasing $d$ and number of points in the dataset. To address this issue, we use a randomized algebraic approach in which we first sample the rows of a block and then construct its approximate, low-rank interpolative decomposition. We examine the feasibility of this approach theoretically and experimentally. We provide a new theoretical result showing a tighter bound on the reconstruction error from uniformly sampling rows than the existing state-of-the-art. We demonstrate that our sampling approach is competitive with existing (but prohibitively expensive) methods from the literature. We also construct kernel matrices for the Laplacian, Gaussian, and polynomial kernels -- all commonly used in physics and data analysis. We explore the numerical properties of blocks of these matrices, and show that they are amenable to our approach. Depending on the data set, our randomized algorithm can successfully compute low rank approximations in high dimensions. We report results for data sets with ambient dimensions from four to 1,000.Comment: 43 pages, 21 figure

On the Complexity and Approximation of Binary Evidence in Lifted Inference

Lifted inference algorithms exploit symmetries in probabilistic models to speed up inference. They show impressive performance when calculating unconditional probabilities in relational models, but often resort to non-lifted inference when computing conditional probabilities. The reason is that conditioning on evidence breaks many of the model's symmetries, which can preempt standard lifting techniques. Recent theoretical results show, for example, that conditioning on evidence which corresponds to binary relations is #P-hard, suggesting that no lifting is to be expected in the worst case. In this paper, we balance this negative result by identifying the Boolean rank of the evidence as a key parameter for characterizing the complexity of conditioning in lifted inference. In particular, we show that conditioning on binary evidence with bounded Boolean rank is efficient. This opens up the possibility of approximating evidence by a low-rank Boolean matrix factorization, which we investigate both theoretically and empirically.Comment: To appear in Advances in Neural Information Processing Systems 26 (NIPS), Lake Tahoe, USA, December 201

An extension of Chebfun to two dimensions

An object-oriented MATLAB system is described that extends the capabilities of Chebfun to smooth functions of two variables defined on rectangles. Functions are approximated to essentially machine precision by using iterative Gaussian elimination with complete pivoting to form “chebfun2” objects representing low rank approximations. Operations such as integration, differentiation, function evaluation, and transforms are particularly efficient. Global optimization, the singular value decomposition, and rootfinding are also extended to chebfun2 objects. Numerical applications are presented

Quantum singular value transformation and beyond: exponential improvements for quantum matrix arithmetics

Quantum computing is powerful because unitary operators describing the time-evolution of a quantum system have exponential size in terms of the number of qubits present in the system. We develop a new "Singular value transformation" algorithm capable of harnessing this exponential advantage, that can apply polynomial transformations to the singular values of a block of a unitary, generalizing the optimal Hamiltonian simulation results of Low and Chuang. The proposed quantum circuits have a very simple structure, often give rise to optimal algorithms and have appealing constant factors, while usually only use a constant number of ancilla qubits. We show that singular value transformation leads to novel algorithms. We give an efficient solution to a certain "non-commutative" measurement problem and propose a new method for singular value estimation. We also show how to exponentially improve the complexity of implementing fractional queries to unitaries with a gapped spectrum. Finally, as a quantum machine learning application we show how to efficiently implement principal component regression. "Singular value transformation" is conceptually simple and efficient, and leads to a unified framework of quantum algorithms incorporating a variety of quantum speed-ups. We illustrate this by showing how it generalizes a number of prominent quantum algorithms, including: optimal Hamiltonian simulation, implementing the Moore-Penrose pseudoinverse with exponential precision, fixed-point amplitude amplification, robust oblivious amplitude amplification, fast QMA amplification, fast quantum OR lemma, certain quantum walk results and several quantum machine learning algorithms. In order to exploit the strengths of the presented method it is useful to know its limitations too, therefore we also prove a lower bound on the efficiency of singular value transformation, which often gives optimal bounds.Comment: 67 pages, 1 figur

Weighted Polynomial Approximations: Limits for Learning and Pseudorandomness

Polynomial approximations to boolean functions have led to many positive results in computer science. In particular, polynomial approximations to the sign function underly algorithms for agnostically learning halfspaces, as well as pseudorandom generators for halfspaces. In this work, we investigate the limits of these techniques by proving inapproximability results for the sign function. Firstly, the polynomial regression algorithm of Kalai et al. (SIAM J. Comput. 2008) shows that halfspaces can be learned with respect to log-concave distributions on $\mathbb{R}^n$ in the challenging agnostic learning model. The power of this algorithm relies on the fact that under log-concave distributions, halfspaces can be approximated arbitrarily well by low-degree polynomials. We ask whether this technique can be extended beyond log-concave distributions, and establish a negative result. We show that polynomials of any degree cannot approximate the sign function to within arbitrarily low error for a large class of non-log-concave distributions on the real line, including those with densities proportional to $\exp(-|x|^{0.99})$. Secondly, we investigate the derandomization of Chernoff-type concentration inequalities. Chernoff-type tail bounds on sums of independent random variables have pervasive applications in theoretical computer science. Schmidt et al. (SIAM J. Discrete Math. 1995) showed that these inequalities can be established for sums of random variables with only $O(\log(1/\delta))$-wise independence, for a tail probability of $\delta$. We show that their results are tight up to constant factors. These results rely on techniques from weighted approximation theory, which studies how well functions on the real line can be approximated by polynomials under various distributions. We believe that these techniques will have further applications in other areas of computer science.Comment: 22 page

Solving polynomial eigenvalue problems by means of the Ehrlich-Aberth method

Given the $n\times n$ matrix polynomial $P(x)=\sum_{i=0}^kP_i x^i$, we consider the associated polynomial eigenvalue problem. This problem, viewed in terms of computing the roots of the scalar polynomial $\det P(x)$, is treated in polynomial form rather than in matrix form by means of the Ehrlich-Aberth iteration. The main computational issues are discussed, namely, the choice of the starting approximations needed to start the Ehrlich-Aberth iteration, the computation of the Newton correction, the halting criterion, and the treatment of eigenvalues at infinity. We arrive at an effective implementation which provides more accurate approximations to the eigenvalues with respect to the methods based on the QZ algorithm. The case of polynomials having special structures, like palindromic, Hamiltonian, symplectic, etc., where the eigenvalues have special symmetries in the complex plane, is considered. A general way to adapt the Ehrlich-Aberth iteration to structured matrix polynomial is introduced. Numerical experiments which confirm the effectiveness of this approach are reported.Comment: Submitted to Linear Algebra App