Resultants are defined in the sparse (or toric) context in order to exploit the structure of the polynomials as expressed by their Newton polytopes. Since determinantal formulae are not always possible, the most efficient general method for computing resultants is as the ratio of two determinants. This is made possible by Macaulay’s seminal result [15] in the dense homogeneous case, extended by...

A quadratically convergent valence bond self-consistent field method is described where the simultaneous optimisation of orbitals and the coefficients of the configurations (VB structures) is based on a Newton-Raphson scheme. The applicability of the method is demonstrated in actual calculations. The convergence and efficiency are compared with the Super-CI method. A necessary condition to achi...

We implemented and optimized seven finite-difference solvers for the full nonlinear Poisson-Boltzmann equation in biomolecular applications, including four relaxation methods, one conjugate gradient method, and two inexact Newton methods. The performance of the seven solvers was extensively evaluated with a large number of nucleic acids and proteins. Worth noting is the inexact Newton method in...

Matching fields were introduced by Sturmfels and Zelevinsky to study certain Newton polytopes, more recently have been shown give rise toric degenerations of various families varieties. Whenever a matching field gives degeneration, the associated polytope variety coincides with polytope. We combinatorial mutations, which are analogues cluster mutations for polytopes show that property giving de...

The DESC stellarator optimization code takes advantage of advanced numerical methods to search the full parameter space much faster than conventional tools. Only a single equilibrium solution is needed at each step thanks automatic differentiation, which efficiently provides exact derivative information. A Gauss-Newton trust-region method uses second-order information take large steps in and co...

Using the highly recommended numerical techniques, a finite element computer code is developed to analyse the steady incompressible, laminar and turbulent flows in 2-D domains with complex geometry. The Petrov-Galerkin finite element formulation is adopted to avoid numerical oscillations. Turbulence is modeled using the two equation k-ω model. The discretized equations are written in the form o...

Using the highly recommended numerical techniques, a finite element computer code is developed to analyse the steady incompressible, laminar and turbulent flows in 2-D domains with complex geometry. The Petrov-Galerkin finite element formulation is adopted to avoid numerical oscillations. Turbulence is modeled using the two equation k-ω model. The discretized equations are written in the form o...

Optimization problems constrained by nonlinear partial differential equations have been the focus of intense research in scientific computing lately. Current methods for the parallel numerical solution of such problems involve sequential quadratic programming (SQP), with either reduced or full space approaches. In this paper we propose and investigate a class of parallel full space SQP Lagrange...

We introduce a new complexity measure of a path of (problems, solutions) pairs in terms of the length of the path in the condition metric which we define in the article. The measure gives an upper bound for the number of Newton steps sufficient to approximate the path discretely starting from one end and thus produce an approximate zero for the endpoint. This motivates the study of short paths ...

We consider a problem of simultaneous reduction of a sequence of matrices by means of orthogonal transformations. We show that such reduction can be performed by a series of the deflation steps. At each deflation step a simultaneous eigenvalue problem, which is a direct generalization of the generalized eigenvalue problem, is solved. A fast variant of Gauss-Newton algorithm for its solution was...