• SNOPT

  • Referenced in 518 articles [sw02300]
  • constraints. Here we consider problems with general inequality constraints (linear and nonlinear). We assume that ... derivatives are available and that the constraint gradients are sparse. We discuss an SQP algorithm ... based on a limited-memory quasi-Newton approximation to the Hessian of the Lagrangian...
  • fhi98PP

  • Referenced in 10 articles [sw17871]
  • local-density approximation and the generalized gradient approximation for exchange and correlation are implemented...
  • WIEN97

  • Referenced in 10 articles [sw14850]
  • improved version of the generalized gradient approximation (GGA). It is an all-electron scheme including...
  • KELLEY

  • Referenced in 610 articles [sw04829]
  • clarity and brevity rather than complete generality and confine our scope to algorithms that ... into two parts. The first part, occupying approximately 100 pages, is devoted to the optimization ... second part of the book, which is approximately 50 pages long, deals with the optimization ... cases the noise often introduces artificial minimizers. Gradient information, even if available, cannot expected...
  • ve08

  • Referenced in 144 articles [sw05141]
  • minimizer x *, in which case conjugate gradient and limited memory variable metric methods were found ... work quite well. However, in general, the performance of these methods is rather unpredictable since ... Therefore we pursue the traditional approach of approximating f by local quadratic models, which...
  • lobpcg.m

  • Referenced in 126 articles [sw24008]
  • algorithm, we advocate the standard preconditioned conjugate gradient method for finding an eigenvector ... show numerically that the LOBPCG method provides approximations to first eigenpairs of about the same ... expensive global optimization method on the same generalized block Krylov subspace. We propose...
  • PyFLOSIC

  • Referenced in 1 article [sw33445]
  • within the local density approximation (LDA), generalized-gradient approximation (GGA), and meta-GGA provided...
  • BLOPEX

  • Referenced in 27 articles [sw04024]
  • with the Locally Optimal Block Preconditioned Conjugate Gradient Method (LOBPCG). Its main features ... generalized eigenproblems; a user-defined symmetric positive preconditioner; robustness with respect to random initial approximations...
  • FREEFLOW

  • Referenced in 23 articles [sw04253]
  • features. The fluid domain can be quite general and need only be connected. With ... conjugate gradient solver is used to invert the discrete Poisson equation. An accurate approximation...
  • HelFEM

  • Referenced in 0 articles [sw26735]
  • local spin density approximation (LDA), generalized gradient approximation (GGA), and meta-GGA levels of theory...
  • GPGCD

  • Referenced in 9 articles [sw06224]
  • GPGCD method, the problem of approximate GCD is transferred to a constrained minimization problem, then ... Newton method, which is a generalization of the gradient-projection method, by searching the solution...
  • ROMS

  • Referenced in 29 articles [sw30140]
  • Ocean Modeling System, a member of a general class of three-dimensional, free-surface, terrain ... preservation properties for tracers; redefined barotropic pressure-gradient terms to account for local variations ... basin. The combination of moderate-order spatial approximations, enhanced conservation properties, and quasi-monotone advection...
  • glmmTMB

  • Referenced in 3 articles [sw31739]
  • using Template Model Builder. Fit linear and generalized linear mixed models with various extensions, including ... integrated out using the Laplace approximation. Gradients are calculated using automatic differentiation...
  • TFad

  • Referenced in 10 articles [sw07478]
  • efficiently and accurately than conventional finite-difference approximations. AD requires source-code modifications, which ... used iteratively to solve nonlinear equations. When gradients are required (say, for optimization ... manually assembling the gradient pieces -- semiautomatic differentiation -- can deliver gradients efficiently and accurately. This paper ... simple operator-overloading implementation specialized for gradient computations, and compares the implementations on some mesh...
  • GPyTorch

  • Referenced in 5 articles [sw35483]
  • computing hardware. We present an efficient and general approach to GP inference based on Blackbox ... modified batched version of the conjugate gradients algorithm to derive all terms for training ... Adapting this algorithm to scalable approximations and complex GP models simply requires a routine...
  • DNSPLIN1

  • Referenced in 2 articles [sw01235]
  • Fortran-77 code for constructing discrete approximations to nonparametric interpolating nonlinear spline curves. Our approach ... method with a Sobolev gradient in place of the standard gradient. It serves ... demonstration of the Sobolev gradient method, which is much more generally applicable. The effectiveness...
  • HIBITS

  • Referenced in 4 articles [sw30626]
  • logistic regression, generalized additive mixed model, models for ordinal data, gradient boosting, decision tree ... handle computational complexity, we utilize Laplace approximation, golden section search and successive parabolic interpolation. With...
  • ComPASS

  • Referenced in 3 articles [sw13577]
  • general unstructured polyhedral meshes (in a general sense with possibly non planar faces ... parabolic problem using the Vertex Approximate Gradient finite volume spatial discretization with both cell...
  • FLUSEPA

  • Referenced in 1 article [sw20791]
  • quasi-Green gradient operator which ensures consistency on general meshes. In addition, a high-order ... point quadrature formula, based on high-order approximations of the successive derivatives of the solution...
  • BTN

  • Referenced in 3 articles [sw00094]
  • parallel computer. BTN is a general-purpose algorithm, capable of solving problems with a large ... evaluate the objective function and its gradient vector of first derivatives. The algorithm is based ... Newton methods obtain the search direction by approximately solving the Newton equations via some iterative...