Low-rank approximation of a matrix by means of random sampling has been consistently efficient in its empirical studies by many scientists who applied it with various sparse and structured multipliers, but adequate formal support for this empirical phenomenon has been missing so far. Our novel insight into the subject leads to such an elusive formal support and promises significant acceleration of the known algorithms for some fundamental problems of matrix computations and data mining and analysis. Our formal results and our numerical tests are in good accordance with each other. We also outline extensions of low-rank approximation algorithms and of our progress to the Least Squares Regression, the Fast Multipole Method, and the Conjugate Gradient algorithms.
Part (ii) of our Theorem is implied by [Theorem 10.8] HMT11 , but our specific supporting estimates are more compact, cover the case of any @math (whereas @cite_36 assumes that @math ), and we deduce them by using a shorter proof (see Remark ). Our approach, our results listed in Section , some of our techniques, e.g., expan -sion compres -sion in Section , and even the concept of factor-Gaussian matrices are new, and so are our families of multipliers and policies of their generation, combination, and application in Sections and as well. Moreover, our progress can be extended to a variety of important matrix computations. In Section (Conclusions) we outline such novel extensions to the highly popular and much studied computations for Least Squares Regression, the Fast Multipole Method and the Conjugate Gradient Algorithms. Hereafter we use the acronyms LSR" for Least Squares Regression", FMM" for Fast Multipole Method", and CG " for Conjugate Gradient". The extensions provide new insights and new opportunities and should motivate further effort and further progress.
@cite_36
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We describe new algorithms of the locally optimal block preconditioned conjugate gradient (LOBPCG) method for symmetric eigenvalue problems, based on a local optimization of a three-term recurrence, and suggest several other new methods. To be able to compare numerically different methods in the class, with different preconditioners, we propose a common system of model tests, using random preconditioners and initial guesses. As the "ideal" control algorithm, we advocate the standard preconditioned conjugate gradient method for finding an eigenvector as an element of the null-space of the corresponding homogeneous system of linear equations under the assumption that the eigenvalue is known. We recommend that every new preconditioned eigensolver be compared with this "ideal" algorithm on our model test problems in terms of the speed of convergence, costs of every iteration, and memory requirements. We provide such comparison for our LOBPCG method. Numerical results establish that our algorithm is practically as efficient as the ideal'' algorithm when the same preconditioner is used in both methods. We also show numerically that the LOBPCG method provides approximations to first eigenpairs of about the same quality as those by the much more expensive global optimization method on the same generalized block Krylov subspace. We propose a new version of block Davidson's method as a generalization of the LOBPCG method. Finally, direct numerical comparisons with the Jacobi--Davidson method show that our method is more robust and converges almost two times faster. We consider the problem of learning a structured multi-task regression, where the output consists of multiple responses that are related by a graph and the correlated response variables are dependent on the common inputs in a sparse but synergistic manner. Previous methods such as l1 l2-regularized multi-task regression assume that all of the output variables are equally related to the inputs, although in many real-world problems, outputs are related in a complex manner. In this paper, we propose graph-guided fused lasso (GFlasso) for structured multi-task regression that exploits the graph structure over the output variables. We introduce a novel penalty function based on fusion penalty to encourage highly correlated outputs to share a common set of relevant inputs. In addition, we propose a simple yet efficient proximal-gradient method for optimizing GFlasso that can also be applied to any optimization problems with a convex smooth loss and the general class of fusion penalty defined on arbitrary graph structures. By exploiting the structure of the non-smooth ''fusion penalty'', our method achieves a faster convergence rate than the standard first-order method, sub-gradient method, and is significantly more scalable than the widely adopted second-order cone-programming and quadratic-programming formulations. In addition, we provide an analysis of the consistency property of the GFlasso model. Experimental results not only demonstrate the superiority of GFlasso over the standard lasso but also show the efficiency and scalability of our proximal-gradient method. Mulmuley [Mul12a] recently gave an explicit version of Noether’s Normalization lemma for ring of invariants of matrices under simultaneous conjugation, under the conjecture that there are deterministic black-box algorithms for polynomial identity testing (PIT). He argued that this gives evidence that constructing such algorithms for PIT is beyond current techniques. In this work, we show this is not the case. That is, we improve Mulmuley’s reduction and correspondingly weaken the conjecture regarding PIT needed to give explicit Noether Normalization. We then observe that the weaker conjecture has recently been nearly settled by the authors ([FS12]), who gave quasipolynomial size hitting sets for the class of read-once oblivious algebraic branching programs (ROABPs). This gives the desired explicit Noether Normalization unconditionally, up to quasipolynomial factors. As a consequence of our proof we give a deterministic parallel polynomial-time algorithm for deciding if two matrix tuples have intersecting orbit closures, under simultaneous conjugation. We also study the strength of conjectures that Mulmuley requires to obtain similar results as ours. We prove that his conjectures are stronger, in the sense that the computational model he needs PIT algorithms for is equivalent to the well-known algebraic branching program (ABP) model, which is provably stronger than the ROABP model. Finally, we consider the depth-3 diagonal circuit model as defined by Saxena [Sax08], as PIT algorithms for this model also have implications in Mulmuley’s work. Previous work (such as [ASS12] and [FS12]) have given quasipolynomial size hitting sets for this model. In this work, we give a much simpler construction of such hitting sets, using techniques of Shpilka and Volkovich [SV09]. Abstract Conjugate gradient (CG) methods to solve sparse systems of linear equations play an important role in numerical methods for solving discretized partial differential equations. The large size and the condition of many technical or physical applications in this area result in the need for efficient parallelization and preconditioning techniques of the CG method, in particular on massively parallel machines. Here, the data distribution and the communication scheme for the sparse matrix operations of the preconditioned CG are based on the analysis of the indices of the non-zero elements. Polynomial preconditioning is shown to reduce global synchronizations considerably, and a fully local incomplete Cholesky preconditioner is presented. On a PARAGON XP S 10 with 138 processors, the developed parallel methods outperform diagonally scaled CG markedly with respect to both scaling behavior and execution time for many matrices from real finite element applications. The conjugate gradient method applied to the normal equations ATAx=ATb (CGLS) is often used for solving large sparse linear least squares problems. The mathematically equivalent algorithm LSQR based on the Lanczos bidiagonalization process is an often recommended alternative. In this paper, the achievable accuracy of different conjgate gradient and Lanczos methods in finite precision is studied. It is shown that an implementation of algorithm CGLS in which the residual sk=AT(b-Axk) of the normal equations is recurred will not in general achieve accurate solutions. The same conclusion holds for the method based on Lanczos bidiagonalization with starting vector ATb. For the preferred implementation of CGLS we bound the error ||r-rk|| of the computed residual rk. Numerical tests are given that confirm a conjecture of backward stability. The achievable accuracy of LSQR is shown to be similar. The analysis essentially also covers the preconditioned case. Maximization of mutual information of voxel intensities has been demonstrated to be a very powerful criterion for three-dimensional medical image registration, allowing robust and accurate fully automated affine registration of multimodal images in a variety of applications, without the need for segmentation or other preprocessing of the images. In this paper, we investigate the performance of various optimization methods and multiresolution strategies for maximization of mutual information, aiming at increasing registration speed when matching large high-resolution images. We show that mutual information is a continuous function of the affine registration parameters when appropriate interpolation is used and we derive analytic expressions of its derivatives that allow numerically exact evaluation of its gradient. Various multiresolution gradient- and non-gradient-based optimization strategies, such as Powell, simplex, steepest-descent, conjugate-gradient, quasi-Newton and Levenberg—Marquardt methods, are evaluated for registration of computed tomography (CT) and magnetic resonance images of the brain. Speed-ups of a factor of 3 on average compared to Powell's method at full resolution are achieved with similar precision and without a loss of robustness with the simplex, conjugate-gradient and Levenberg—Marquardt method using a two-level multiresolution scheme. Large data sets such as 2562 × 128 MR and 5122 × 48 CT images can be registered with subvoxel precision in < 5 min CPU time on current workstations. Many conjugate gradient-like methods for solving linear systems @math use recursion formulas for updating residual vectors instead of computing the residuals directly. For such methods it is shown that the difference between the actual residuals and the updated approximate residual vectors generated in finite precision arithmetic depends on the machine precision @math and on the maximum norm of an iterate divided by the norm of the true solution. It is often observed numerically, and can sometimes be proved, that the norms of the updated approximate residual vectors converge to zero or, at least, become orders of magnitude smaller than the machine precision. In such cases, the actual residual norm reaches the level @math times the maximum ratio of the norm of an iterate to that of the true solution. Using exact arithmetic theory to bound the size of the iterates, we give a priori estimates of the size of the final residual for a number of algorithms. We develop a general framework for proving rigorous guarantees on the performance of the EM algorithm and a variant known as gradient EM. Our analysis is divided into two parts: a treatment of these algorithms at the population level (in the limit of infinite data), followed by results that apply to updates based on a finite set of samples. First, we characterize the domain of attraction of any global maximizer of the population likelihood. This characterization is based on a novel view of the EM updates as a perturbed form of likelihood ascent, or in parallel, of the gradient EM updates as a perturbed form of standard gradient ascent. Leveraging this characterization, we then provide non-asymptotic guarantees on the EM and gradient EM algorithms when applied to a finite set of samples. We develop consequences of our general theory for three canonical examples of incompletedata problems: mixture of Gaussians, mixture of regressions, and linear regression with covariates missing completely at random. In each case, our theory guarantees that with a suitable initialization, a relatively small number of EM (or gradient EM) steps will yield (with high probability) an estimate that is within statistical error of the MLE. We provide simulations to confirm this theoretically predicted behavior. We study how to use the BFGS quasi-Newton matrices to precondition minimization methods for problems where the storage is critical. We give an update formula which generates matrices using information from the last m iterations, where m is any number supplied by the user. The quasi-Newton matrix is updated at every iteration by dropping the oldest information and replacing it by the newest informa- tion. It is shown that the matrices generated have some desirable properties. The resulting algorithms are tested numerically and compared with several well- known methods. 1. Introduction. For the problem of minimizing an unconstrained function of n variables, quasi-Newton methods are widely employed (4). They construct a se- quence of matrices which in some way approximate the hessian of (or its inverse). These matrices are symmetric; therefore, it is necessary to have n(n + l) 2 storage locations for each one. For large dimensional problems it will not be possible to re- tain the matrices in the high speed storage of a computer, and one has to resort to other kinds of algorithms. For example, one could use the methods (Toint (15), Shanno (12)) which preserve the sparsity structure of the hessian, or conjugate gradient methods (CG) which only have to store 3 or 4 vectors. Recently, some CG algorithms have been developed which use a variable amount of storage and which do not require knowledge about the sparsity structure of the problem (2), (7), (8). A disadvantage of these methods is that after a certain number of iterations the quasi-Newton matrix is discarded, and the algorithm is restarted using an initial matrix (usually a diagonal matrix). We describe an algorithm which uses a limited amount of storage and where the quasi-Newton matrix is updated continuously. At every step the oldest information contained in the matrix is discarded and replaced by new one. In this way we hope to have a more up to date model of our function. We will concentrate on the BFGS method since it is considered to be the most efficient. We believe that similar algo- rithms cannot be developed for the other members of the Broyden 0-class (1). Let be the function to be nnnimized, g its gradient and h its hessian. We define We extend the well-known BFGS quasi-Newton method and its memory-limited variant LBFGS to the optimization of nonsmooth convex objectives. This is done in a rigorous fashion by generalizing three components of BFGS to subdifferentials: the local quadratic model, the identification of a descent direction, and the Wolfe line search conditions. We prove that under some technical conditions, the resulting subBFGS algorithm is globally convergent in objective function value. We apply its memory-limited variant (subLBFGS) to L2-regularized risk minimization with the binary hinge loss. To extend our algorithm to the multiclass and multilabel settings, we develop a new, efficient, exact line search algorithm. We prove its worst-case time complexity bounds, and show that our line search can also be used to extend a recently developed bundle method to the multiclass and multilabel settings. We also apply the direction-finding component of our algorithm to L1-regularized risk minimization with logistic loss. In all these contexts our methods perform comparable to or better than specialized state-of-the-art solvers on a number of publicly available data sets. An open source implementation of our algorithms is freely available. In this paper, we study decomposition methods based on separable approximations for minimizing the augmented Lagrangian. In particular, we study and compare the diagonal quadratic approximation method DQAM of Mulvey and Ruszczynski [A diagonal quadratic approximation method for large scale linear programs, Oper. Res. Lett. 12 1992, pp. 205–215] and the parallel coordinate descent method PCDM of Richtarik and Takac [Parallel coordinate descent methods for big data optimization. Technical report, November 2012. arXiv:1212.0873]. We show that the two methods are equivalent for feasibility problems up to the selection of a step-size parameter. Furthermore, we prove an improved complexity bound for PCDM under strong convexity, and show that this bound is at least 8L′ Lω−12 times better than the best known bound for DQAM, where ω is the degree of partial separability and L’ and L are the maximum and average of the block Lipschitz constants of the gradient of the quadratic penalty appearing in the augmented Lagrangian. In this paper, we propose a second order optimization method to learn models where both the dimensionality of the parameter space and the number of training samples is high. In our method, we construct on each iteration a Krylov subspace formed by the gradient and an approximation to the Hessian matrix, and then use a subset of the training data samples to optimize over this subspace. As with the Hessian Free (HF) method of Martens (2010), the Hessian matrix is never explicitly constructed, and is computed using a subset of data. In practice, as in HF, we typically use a positive definite substitute for the Hessian matrix such as the Gauss-Newton matrix. We investigate the effectiveness of our proposed method on deep neural networks, and compare its performance to widely used methods such as stochastic gradient descent, conjugate gradient descent and L-BFGS, and also to HF. Our method leads to faster convergence than either L-BFGS or HF, and generally performs better than either of them in cross-validation accuracy. It is also simpler and more general than HF, as it does not require a positive semidefinite approximation of the Hessian matrix to work well nor the setting of a damping parameter. The chief drawback versus HF is the need for memory to store a basis for the Krylov subspace. List of Algorithms Preface 1. Introduction. Brief Overview of the State of the Art Notation Review of Relevant Linear Algebra Part I. Krylov Subspace Approximations. 2. Some Iteration Methods. Simple Iteration Orthomin(1) and Steepest Descent Orthomin(2) and CG Orthodir, MINRES, and GMRES Derivation of MINRES and CG from the Lanczos Algorithm 3. Error Bounds for CG, MINRES, and GMRES. Hermitian Problems-CG and MINRES Non-Hermitian Problems-GMRES 4. Effects of Finite Precision Arithmetic. Some Numerical Examples The Lanczos Algorithm A Hypothetical MINRES CG Implementation A Matrix Completion Problem Orthogonal Polynomials 5. BiCG and Related Methods. The Two-Sided Lanczos Algorithm The Biconjugate Gradient Algorithm The Quasi-Minimal Residual Algorithm Relation Between BiCG and QMR The Conjugate Gradient Squared Algorithm The BiCGSTAB Algorithm Which Method Should I Use? 6. Is There A Short Recurrence for a Near-Optimal Approximation? The Faber and Manteuffel Result Implications 7. Miscellaneous Issues. Symmetrizing the Problem Error Estimation and Stopping Criteria Attainable Accuracy Multiple Right-Hand Sides and Block Methods Computer Implementation Part II. Preconditioners. 8. Overview and Preconditioned Algorithms. 9. Two Example Problems. The Diffusion Equation The Transport Equation 10. Comparison of Preconditioners. Jacobi, Gauss--Seidel, SOR The Perron--Frobenius Theorem Comparison of Regular Splittings Regular Splittings Used with the CG Algorithm Optimal Diagonal and Block Diagonal Preconditioners 11. Incomplete Decompositions. Incomplete Cholesky Decomposition Modified Incomplete Cholesky Decomposition 12. Multigrid and Domain Decomposition Methods. Multigrid Methods Basic Ideas of Domain Decomposition Methods. It has been widely observed that Krylov space solvers based on two three-term recurrences can give significantly less accurate residuals than mathematically equivalent solvers implemented with three two-term recurrences. In this paper we attempt to clarify and justify this difference theoretically by analyzing the gaps between recursively and explicitly computed residuals. It is shown that, in contrast with the two-term recurrences analyzed by Sleijpen, van der Vorst, and Fokkema [ Numer. Algorithms, 7 (1994), pp. 75--109] and Greenbaum [SIAM J. Matrix Anal. Appl., 18 (1997), pp. 535--551], in the two three-term recurrences the contributions of the local roundoff errors to the analyzed gaps may be dramatically amplified while propagating through the algorithm. This result explains, for example, the well-known behavior of three-term-based versions of the biconjugate gradient method, where large gaps between recursively and explicitly computed residuals are not uncommon. For the conjugate gradient method, however, such a devastating behavior---although possible---is not observed frequently in practical computations, and the difference between two-term and three-term implementations is usually moderate or small. This can also be explained by our results. We address the numerical problem of recovering large matrices of low rank when most of the entries are unknown. We exploit the geometry of the low-rank constraint to recast the problem as an unconstrained optimization problem on a single Grassmann manifold. We then apply second-order Riemannian trust-region methods (RTRMC 2) and Riemannian conjugate gradient methods (RCGMC) to solve it. A preconditioner for the Hessian is introduced that helps control the conditioning of the problem and we detail preconditioned versions of Riemannian optimization algorithms. The cost of each iteration is linear in the number of known entries. The proposed methods are competitive with state-of-the-art algorithms on a wide range of problem instances. In particular, they perform well on rectangular matrices. We further note that second-order and preconditioned methods are well suited to solve badly conditioned matrix completion tasks. We propose a very simple modification of gradient descent and stochastic gradient descent. We show that when applied to a variety of machine learning models including softmax regression, convolutional neural nets, generative adversarial nets, and deep reinforcement learning, this very simple surrogate can dramatically reduce the variance and improve the accuracy of the generalization. The new algorithm, (which depends on one nonnegative parameter) when applied to non-convex minimization, tends to avoid sharp local minima. Instead it seeks somewhat flatter local (and often global) minima. The method only involves preconditioning the gradient by the inverse of a tri-diagonal matrix that is positive definite. The motivation comes from the theory of Hamilton-Jacobi partial differential equations. This theory demonstrates that the new algorithm is almost the same as doing gradient descent on a new function which (a) has the same global minima as the original function and (b) is "more convex". Again, the programming effort in doing this is minimal, in cost, complexity and effort. We implement our algorithm into both PyTorch and Tensorflow platforms, which will be made publicly available. We design a new distribution over poly(r e-1) x n matrices S so that for any fixed n x d matrix A of rank r, with probability at least 9 10, SAx2 = (1 pm e)Ax2 simultaneously for all x ∈ Rd. Such a matrix S is called a subspace embedding. Furthermore, SA can be computed in O(nnz(A)) + O(r2e-2) time, where nnz(A) is the number of non-zero entries of A. This improves over all previous subspace embeddings, which required at least Ω(nd log d) time to achieve this property. We call our matrices S sparse embedding matrices. Using our sparse embedding matrices, we obtain the fastest known algorithms for overconstrained least-squares regression, low-rank approximation, approximating all leverage scores, and lp-regression: to output an x' for which Ax'-b2 ≤ (1+e)minx Ax-b2 for an n x d matrix A and an n x 1 column vector b, we obtain an algorithm running in O(nnz(A)) + O(d3e-2) time, and another in O(nnz(A)log(1 e)) + O(d3log(1 e)) time. (Here O(f) = f ⋅ logO(1)(f).) to obtain a decomposition of an n x n matrix A into a product of an n x k matrix L, a k x k diagonal matrix D, and a n x k matrix W, for which F A - L D W ≤ (1+e)F A-Ak , where Ak is the best rank-k approximation, our algorithm runs in O(nnz(A)) + O(nk2 e-4log n + k3e-5log2n) time. to output an approximation to all leverage scores of an n x d input matrix A simultaneously, with constant relative error, our algorithms run in O(nnz(A) log n) + O(r3) time. to output an x' for which Ax'-bp ≤ (1+e)minx Ax-bp for an n x d matrix A and an n x 1 column vector b, we obtain an algorithm running in O(nnz(A) log n) + poly(r e-1) time, for any constant 1 ≤ p SUMMARY This paper presents a number of algorithms to run the fast multipole method (FMM) on NVIDIA CUDA-capable graphical processing units (GPUs) (Nvidia Corporation, Sta. Clara, CA, USA). The FMM is a class of methods to compute pairwise interactions between N particles for a given error tolerance and with computational cost of O(N). The methods described in the paper are applicable to any FMMs in which the multipole-to-local (M2L) operator is a dense matrix and the matrix is precomputed. This is the case for example in the black-box fast multipole method (bbFMM), which is a variant of the FMM that can handle large class of kernels. This example will be used in our benchmarks. In the FMM, two operators represent most of the computational cost, and an optimal implementation typically tries to balance those two operators. One is the nearby interaction calculation (direct sum calculation, line 29 in Listing 1), and the other is the M2L operation. We focus on the M2L. By combining multiple M2L operations and reordering the primitive loops of the M2L so that CUDA threads can reuse or share common data, these approaches reduce the movement of data in the GPU. Because memory bandwidth is the primary bottleneck of these methods, significant performance improvements are realized. Four M2L schemes are detailed and analyzed in the case of a uniform tree. The four schemes are tested and compared with an optimized, OpenMP parallelized, multi-core CPU code. We consider high and low precision calculations by varying the number of Chebyshev nodes used in the bbFMM. The accuracy of the GPU codes is found to be satisfactory and achieved performance over 200 Gflop s on one NVIDIA Tesla C1060 GPU (Nvidia Corporation, Sta. Clara, CA, USA). This was compared against two quad-core Intel Xeon E5345 processors (Intel Corporation, Sta. Clara, CA, USA) running at 2.33 GHz, for a combined peak performance of 149 Gflop s for single precision. For the low FMM accuracy case, the observed performance of the CPU code was 37 Gflop s, whereas for the high FMM accuracy case, the performance was about 8.5 Gflop s, most likely because of a higher frequency of cache misses. We also present benchmarks on an NVIDIA C2050 GPU (a Fermi processor)(Nvidia Corporation, Sta. Clara, CA, USA) in single and double precision. Copyright © 2011 John Wiley & Sons, Ltd. In this paper, we present new stochastic methods for solving two important classes of nonconvex optimization problems. We first introduce a randomized accelerated proximal gradient (RapGrad) method for solving a class of nonconvex optimization problems consisting of the sum of @math component functions, and show that it can significantly reduce the number of gradient computations especially when the condition number @math (i.e., the ratio between the Lipschitz constant and negative curvature) is large. More specifically, RapGrad can save up to @math gradient computations than existing deterministic nonconvex accelerated gradient methods. Moreover, the number of gradient computations required by RapGrad can be @math (at least @math ) times smaller than the best-known randomized nonconvex gradient methods when @math . Inspired by RapGrad, we also develop a new randomized accelerated proximal dual (RapDual) method for solving a class of multi-block nonconvex optimization problems coupled with linear constraints. We demonstrate that RapDual can also save up to a factor of @math projection subproblems than its deterministic counterpart, where @math denotes the number of blocks. To the best of our knowledge, all these complexity results associated with RapGrad and RapDual seem to be new in the literature. We also illustrate potential advantages of these algorithms through our preliminary numerical experiments. The fast multipole method (FMM) has been implemented to speed up the matrix-vector multiply when an iterative method is used to solve the combined field integral equation (CFIE). FMM reduces the complexity from O(N2) to O(N1.5). With a multilevel fast multipole algorithm (MLFMA), it is further reduced to O(N log N). A 110, 592-unknown problem can be solved within 24 h on a SUN Sparc 10. © 1995 John Wiley & Sons, Inc.