Exact Algorithms for Computing Generalized Eigenspaces of Matrices via Annihilating Polynomials

An effective exact method is proposed for computing generalized eigenspaces of a matrix of integers or rational numbers. Keys of our approach are the use of minimal annihilating polynomials and the concept of the Jourdan-Krylov basis. A new method, called Jordan-Krylov elimination, is introduced to design an algorithm for computing Jordan-Krylov basis. The resulting algorithm outputs generalized eigenspaces as a form of Jordan chains. Notably, in the output, components of generalized eigenvectors are expressed as polynomials in the associated eigenvalue as a variable

Elektronstrukturberäkningar på kvantdatorer

I discuss recent work regarding electronic structure calculations on quantum computers. I introduce quantum computing and electronic structure theory, and then discuss different mappings from electrons and excitation operators, to qubits and unitary operators, mainly Jordan–Wigner and Bravyi–Kitaev. I discuss adiabatic quantum computing in connection to state preparation on quantum computers. I introduce the most important algorithms in the field, namely, quantum phase estimation (QPE) and variational quantum eigensolver (VQE). I also mention recent modifications and improvements to these algorithms. Then I take a detour to discuss noise and quantum operations, a model for understanding how quantum computations fail because of noise from the environment. Because of this noise, quantum simulators have risen as a tool for understanding quantum computers and I have used such simulators to do electronic structure calculations on small atoms. The algorithm I have used, QPE, yields the exact result within the employed basis. As a basis I use numerical orbitals, which are very robust due to their flexibility

A local construction of the Smith normal form of a matrix polynomial

We present an algorithm for computing a Smith form with multipliers of a regular matrix polynomial over a field. This algorithm differs from previous ones in that it computes a local Smith form for each irreducible factor in the determinant separately and then combines them into a global Smith form, whereas other algorithms apply a sequence of unimodular row and column operations to the original matrix. The performance of the algorithm in exact arithmetic is reported for several test cases.Comment: 26 pages, 6 figures; introduction expanded, 10 references added, two additional tests performe

Polynomial-Time Algorithms for Quadratic Isomorphism of Polynomials: The Regular Case

Let $\mathbf{f}=(f\_1,\ldots,f\_m)$ and $\mathbf{g}=(g\_1,\ldots,g\_m)$ be two sets of $m\geq 1$ nonlinear polynomials over $\mathbb{K}[x\_1,\ldots,x\_n]$ ($\mathbb{K}$ being a field). We consider the computational problem of finding -- if any -- an invertible transformation on the variables mapping $\mathbf{f}$ to $\mathbf{g}$. The corresponding equivalence problem is known as {\tt Isomorphism of Polynomials with one Secret} ({\tt IP1S}) and is a fundamental problem in multivariate cryptography. The main result is a randomized polynomial-time algorithm for solving {\tt IP1S} for quadratic instances, a particular case of importance in cryptography and somewhat justifying {\it a posteriori} the fact that {\it Graph Isomorphism} reduces to only cubic instances of {\tt IP1S} (Agrawal and Saxena). To this end, we show that {\tt IP1S} for quadratic polynomials can be reduced to a variant of the classical module isomorphism problem in representation theory, which involves to test the orthogonal simultaneous conjugacy of symmetric matrices. We show that we can essentially {\it linearize} the problem by reducing quadratic-{\tt IP1S} to test the orthogonal simultaneous similarity of symmetric matrices; this latter problem was shown by Chistov, Ivanyos and Karpinski to be equivalent to finding an invertible matrix in the linear space $\mathbb{K}^{n \times n}$ of $n \times n$ matrices over $\mathbb{K}$ and to compute the square root in a matrix algebra. While computing square roots of matrices can be done efficiently using numerical methods, it seems difficult to control the bit complexity of such methods. However, we present exact and polynomial-time algorithms for computing the square root in $\mathbb{K}^{n \times n}$ for various fields (including finite fields). We then consider \\#{\tt IP1S}, the counting version of {\tt IP1S} for quadratic instances. In particular, we provide a (complete) characterization of the automorphism group of homogeneous quadratic polynomials. Finally, we also consider the more general {\it Isomorphism of Polynomials} ({\tt IP}) problem where we allow an invertible linear transformation on the variables \emph{and} on the set of polynomials. A randomized polynomial-time algorithm for solving {\tt IP} when $\mathbf{f}=(x\_1^d,\ldots,x\_n^d)$ is presented. From an algorithmic point of view, the problem boils down to factoring the determinant of a linear matrix (\emph{i.e.}\ a matrix whose components are linear polynomials). This extends to {\tt IP} a result of Kayal obtained for {\tt PolyProj}.Comment: Published in Journal of Complexity, Elsevier, 2015, pp.3

Simulating chemistry efficiently on fault-tolerant quantum computers

Quantum computers can in principle simulate quantum physics exponentially faster than their classical counterparts, but some technical hurdles remain. Here we consider methods to make proposed chemical simulation algorithms computationally fast on fault-tolerant quantum computers in the circuit model. Fault tolerance constrains the choice of available gates, so that arbitrary gates required for a simulation algorithm must be constructed from sequences of fundamental operations. We examine techniques for constructing arbitrary gates which perform substantially faster than circuits based on the conventional Solovay-Kitaev algorithm [C.M. Dawson and M.A. Nielsen, \emph{Quantum Inf. Comput.}, \textbf{6}:81, 2006]. For a given approximation error $\epsilon$, arbitrary single-qubit gates can be produced fault-tolerantly and using a limited set of gates in time which is $O(\log \epsilon)$ or $O(\log \log \epsilon)$; with sufficient parallel preparation of ancillas, constant average depth is possible using a method we call programmable ancilla rotations. Moreover, we construct and analyze efficient implementations of first- and second-quantized simulation algorithms using the fault-tolerant arbitrary gates and other techniques, such as implementing various subroutines in constant time. A specific example we analyze is the ground-state energy calculation for Lithium hydride.Comment: 33 pages, 18 figure

Fast Computation of Minimal Interpolation Bases in Popov Form for Arbitrary Shifts

We compute minimal bases of solutions for a general interpolation problem, which encompasses Hermite-Pad\'e approximation and constrained multivariate interpolation, and has applications in coding theory and security. This problem asks to find univariate polynomial relations between $m$ vectors of size $\sigma$; these relations should have small degree with respect to an input degree shift. For an arbitrary shift, we propose an algorithm for the computation of an interpolation basis in shifted Popov normal form with a cost of $\mathcal{O}\tilde{~}(m^{\omega-1} \sigma)$ field operations, where $\omega$ is the exponent of matrix multiplication and the notation $\mathcal{O}\tilde{~}(\cdot)$ indicates that logarithmic terms are omitted. Earlier works, in the case of Hermite-Pad\'e approximation and in the general interpolation case, compute non-normalized bases. Since for arbitrary shifts such bases may have size $\Theta(m^2 \sigma)$, the cost bound $\mathcal{O}\tilde{~}(m^{\omega-1} \sigma)$ was feasible only with restrictive assumptions on the shift that ensure small output sizes. The question of handling arbitrary shifts with the same complexity bound was left open. To obtain the target cost for any shift, we strengthen the properties of the output bases, and of those obtained during the course of the algorithm: all the bases are computed in shifted Popov form, whose size is always $\mathcal{O}(m \sigma)$. Then, we design a divide-and-conquer scheme. We recursively reduce the initial interpolation problem to sub-problems with more convenient shifts by first computing information on the degrees of the intermediate bases.Comment: 8 pages, sig-alternate class, 4 figures (problems and algorithms