Algorithmic Thomas Decomposition of Algebraic and Differential Systems

In this paper, we consider systems of algebraic and non-linear partial differential equations and inequations. We decompose these systems into so-called simple subsystems and thereby partition the set of solutions. For algebraic systems, simplicity means triangularity, square-freeness and non-vanishing initials. Differential simplicity extends algebraic simplicity with involutivity. We build upon the constructive ideas of J. M. Thomas and develop them into a new algorithm for disjoint decomposition. The given paper is a revised version of a previous paper and includes the proofs of correctness and termination of our decomposition algorithm. In addition, we illustrate the algorithm with further instructive examples and describe its Maple implementation together with an experimental comparison to some other triangular decomposition algorithms.Comment: arXiv admin note: substantial text overlap with arXiv:1008.376

Geometric combinatorics and computational molecular biology: branching polytopes for RNA sequences

Questions in computational molecular biology generate various discrete optimization problems, such as DNA sequence alignment and RNA secondary structure prediction. However, the optimal solutions are fundamentally dependent on the parameters used in the objective functions. The goal of a parametric analysis is to elucidate such dependencies, especially as they pertain to the accuracy and robustness of the optimal solutions. Techniques from geometric combinatorics, including polytopes and their normal fans, have been used previously to give parametric analyses of simple models for DNA sequence alignment and RNA branching configurations. Here, we present a new computational framework, and proof-of-principle results, which give the first complete parametric analysis of the branching portion of the nearest neighbor thermodynamic model for secondary structure prediction for real RNA sequences.Comment: 17 pages, 8 figure

The Tensor Networks Anthology: Simulation techniques for many-body quantum lattice systems

We present a compendium of numerical simulation techniques, based on tensor network methods, aiming to address problems of many-body quantum mechanics on a classical computer. The core setting of this anthology are lattice problems in low spatial dimension at finite size, a physical scenario where tensor network methods, both Density Matrix Renormalization Group and beyond, have long proven to be winning strategies. Here we explore in detail the numerical frameworks and methods employed to deal with low-dimension physical setups, from a computational physics perspective. We focus on symmetries and closed-system simulations in arbitrary boundary conditions, while discussing the numerical data structures and linear algebra manipulation routines involved, which form the core libraries of any tensor network code. At a higher level, we put the spotlight on loop-free network geometries, discussing their advantages, and presenting in detail algorithms to simulate low-energy equilibrium states. Accompanied by discussions of data structures, numerical techniques and performance, this anthology serves as a programmer's companion, as well as a self-contained introduction and review of the basic and selected advanced concepts in tensor networks, including examples of their applications.Comment: 115 pages, 56 figure

Subdivisional spaces and graph braid groups

We study the problem of computing the homology of the configuration spaces of a finite cell complex $X$. We proceed by viewing $X$, together with its subdivisions, as a subdivisional space--a kind of diagram object in a category of cell complexes. After developing a version of Morse theory for subdivisional spaces, we decompose $X$ and show that the homology of the configuration spaces of $X$ is computed by the derived tensor product of the Morse complexes of the pieces of the decomposition, an analogue of the monoidal excision property of factorization homology. Applying this theory to the configuration spaces of a graph, we recover a cellular chain model due to \'{S}wi\k{a}tkowski. Our method of deriving this model enhances it with various convenient functorialities, exact sequences, and module structures, which we exploit in numerous computations, old and new.Comment: 71 pages, 15 figures. Typo fixed. May differ slightly from version published in Documenta Mathematic