Model reduction of controlled Fokker--Planck and Liouville-von Neumann equations

Model reduction methods for bilinear control systems are compared by means of practical examples of Liouville-von Neumann and Fokker--Planck type. Methods based on balancing generalized system Gramians and on minimizing an H2-type cost functional are considered. The focus is on the numerical implementation and a thorough comparison of the methods. Structure and stability preservation are investigated, and the competitiveness of the approaches is shown for practically relevant, large-scale examples

Solving rank structured Sylvester and Lyapunov equations

We consider the problem of efficiently solving Sylvester and Lyapunov equations of medium and large scale, in case of rank-structured data, i.e., when the coefficient matrices and the right-hand side have low-rank off-diagonal blocks. This comprises problems with banded data, recently studied by Haber and Verhaegen in "Sparse solution of the Lyapunov equation for large-scale interconnected systems", Automatica, 2016, and by Palitta and Simoncini in "Numerical methods for large-scale Lyapunov equations with symmetric banded data", SISC, 2018, which often arise in the discretization of elliptic PDEs. We show that, under suitable assumptions, the quasiseparable structure is guaranteed to be numerically present in the solution, and explicit novel estimates of the numerical rank of the off-diagonal blocks are provided. Efficient solution schemes that rely on the technology of hierarchical matrices are described, and several numerical experiments confirm the applicability and efficiency of the approaches. We develop a MATLAB toolbox that allows easy replication of the experiments and a ready-to-use interface for the solvers. The performances of the different approaches are compared, and we show that the new methods described are efficient on several classes of relevant problems

WavePacket: A Matlab package for numerical quantum dynamics. II: Open quantum systems, optimal control, and model reduction

WavePacket is an open-source program package for numeric simulations in quantum dynamics. It can solve time-independent or time-dependent linear Schr\"odinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows, e.g., to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semi-classical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry. Being highly versatile and offering visualization of quantum dynamics 'on the fly', WavePacket is well suited for teaching or research projects in atomic, molecular and optical physics as well as in physical or theoretical chemistry. Building on the previous Part I which dealt with closed quantum systems and discrete variable representations, the present Part II focuses on the dynamics of open quantum systems, with Lindblad operators modeling dissipation and dephasing. This part also describes the WavePacket function for optimal control of quantum dynamics, building on rapid monotonically convergent iteration methods. Furthermore, two different approaches to dimension reduction implemented in WavePacket are documented here. In the first one, a balancing transformation based on the concepts of controllability and observability Gramians is used to identify states that are neither well controllable nor well observable. Those states are either truncated or averaged out. In the other approach, the H2-error for a given reduced dimensionality is minimized by H2 optimal model reduction techniques, utilizing a bilinear iterative rational Krylov algorithm

Efficient Approaches for Enclosing the United Solution Set of the Interval Generalized Sylvester Matrix Equation

In this work, we investigate the interval generalized Sylvester matrix equation ${\bf{A}}X{\bf{B}}+{\bf{C}}X{\bf{D}}={\bf{F}}$ and develop some techniques for obtaining outer estimations for the so-called united solution set of this interval system. First, we propose a modified variant of the Krawczyk operator which causes reducing computational complexity to cubic, compared to Kronecker product form. We then propose an iterative technique for enclosing the solution set. These approaches are based on spectral decompositions of the midpoints of ${\bf{A}}$, ${\bf{B}}$, ${\bf{C}}$ and ${\bf{D}}$ and in both of them we suppose that the midpoints of ${\bf{A}}$ and ${\bf{C}}$ are simultaneously diagonalizable as well as for the midpoints of the matrices ${\bf{B}}$ and ${\bf{D}}$. Some numerical experiments are given to illustrate the performance of the proposed methods

Low-rank updates and a divide-and-conquer method for linear matrix equations

Linear matrix equations, such as the Sylvester and Lyapunov equations, play an important role in various applications, including the stability analysis and dimensionality reduction of linear dynamical control systems and the solution of partial differential equations. In this work, we present and analyze a new algorithm, based on tensorized Krylov subspaces, for quickly updating the solution of such a matrix equation when its coefficients undergo low-rank changes. We demonstrate how our algorithm can be utilized to accelerate the Newton method for solving continuous-time algebraic Riccati equations. Our algorithm also forms the basis of a new divide-and-conquer approach for linear matrix equations with coefficients that feature hierarchical low-rank structure, such as HODLR, HSS, and banded matrices. Numerical experiments demonstrate the advantages of divide-and-conquer over existing approaches, in terms of computational time and memory consumption

Reduction of Second-Order Network Systems with Structure Preservation

This paper proposes a general framework for structure-preserving model reduction of a secondorder network system based on graph clustering. In this approach, vertex dynamics are captured by the transfer functions from inputs to individual states, and the dissimilarities of vertices are quantified by the H2-norms of the transfer function discrepancies. A greedy hierarchical clustering algorithm is proposed to place those vertices with similar dynamics into same clusters. Then, the reduced-order model is generated by the Petrov-Galerkin method, where the projection is formed by the characteristic matrix of the resulting network clustering. It is shown that the simplified system preserves an interconnection structure, i.e., it can be again interpreted as a second-order system evolving over a reduced graph. Furthermore, this paper generalizes the definition of network controllability Gramian to second-order network systems. Based on it, we develop an efficient method to compute H2-norms and derive the approximation error between the full-order and reduced-order models. Finally, the approach is illustrated by the example of a small-world network