Sparse Automatic Differentiation for Large-Scale Computations Using Abstract Elementary Algebra

Most numerical solvers and libraries nowadays are implemented to use mathematical models created with language-specific built-in data types (e.g. real in Fortran or double in C) and their respective elementary algebra implementations. However, built-in elementary algebra typically has limited functionality and often restricts flexibility of mathematical models and analysis types that can be applied to those models. To overcome this limitation, a number of domain-specific languages with more feature-rich built-in data types have been proposed. In this paper, we argue that if numerical libraries and solvers are designed to use abstract elementary algebra rather than language-specific built-in algebra, modern mainstream languages can be as effective as any domain-specific language. We illustrate our ideas using the example of sparse Jacobian matrix computation. We implement an automatic differentiation method that takes advantage of sparse system structures and is straightforward to parallelize in MPI setting. Furthermore, we show that the computational cost scales linearly with the size of the system.Comment: Submitted to ACM Transactions on Mathematical Softwar

Principal subspaces for the affine Lie algebras in types DD, EE and FF

We consider the principal subspaces of certain level $k\geqslant 1$ integrable highest weight modules and generalized Verma modules for the untwisted affine Lie algebras in types $D$, $E$ and $F$. Generalizing the approach of G. Georgiev we construct their quasi-particle bases. We use the bases to derive presentations of the principal subspaces, calculate their character formulae and find some new combinatorial identities.Comment: 24 pages, 1 figure, comments are welcom

Optical properties of the Q1D multiband models -- the transverse equation of motion approach

The electrodynamic features of the multiband model are examined using the transverse equation of motion approach in order to give the explanation of several long-standing problems. It turns out that the exact summation of the most singular terms in powers of $1/\omega^{n}$ leads to the total optical conductivity which, in the zero-frequency limit, reduces to the results of the Boltzmann equation, for both the metallic and semiconducting two-band regime. The detailed calculations are carried out for the quasi-one-dimensional (Q1D) two-band model corresponding to imperfect charge-density-wave (CDW) nesting. It is also shown that the present treatment of the impurity scattering processes gives the DC conductivity of the ordered CDW state in agreement with the experimental observation. Finally, the DC and optical conductivity are calculated numerically for a few typical Q1D cases.Comment: 14 pages, 11 figures, to appear in Fizika A (Zagreb