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We discuss in detail a recently proposed hybrid particle-continuum scheme for complex fluids and evaluate it at the example of a confined homopolymer solution in slit geometry. The hybrid scheme treats polymer chains near the impenetrable…

Soft Condensed Matter · Physics 2016-10-28 Shuanhu Qi , Hans Behringer , Thorsten Raasch , Friederike Schmid

Speedup measures how much faster we can solve the same problem using many cores. If we can afford to keep the execution time fixed, then quality up measures how much better the solution will be computed using many cores. In this paper we…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-09-06 Jan Verschelde , Genady Yoffe

Developing robust representations of chemical structures that enable models to learn topological inductive biases is challenging. In this manuscript, we present a representation of atomistic systems. We begin by proving that our…

Machine Learning · Computer Science 2024-09-27 Rahul Khorana , Marcus Noack , Jin Qian

Some particular examples of classical and quantum systems on the lattice are solved with the help of orthogonal polynomials and its connection to continuous models are explored.

Mathematical Physics · Physics 2007-05-23 M. Lorente

Persistent homology is a technique recently developed in algebraic and computational topology well-suited to analysing structure in complex, high-dimensional data. In this paper, we exposit the theory of persistent homology from first…

Applications · Statistics 2016-11-30 Matthew Pietrosanu

Homotopy perturbation method is used for solving the multi-point boundary value problems. The approximate solution is found in the form of a rapidly convergent series. Several numerical examples have been considered to illustrate the…

Numerical Analysis · Mathematics 2013-10-11 Shahid S. Siddiqiand Muzammal Iftikhar

We investigate combinatorial dynamical systems on simplicial complexes considered as {\em finite topological spaces}. Such systems arise in a natural way from sampling dynamics and may be used to reconstruct some features of the dynamics…

Algebraic Topology · Mathematics 2018-07-12 Tamal K. Dey , Mateusz Juda , Tomasz Kapela , Jacek Kubica , Michal Lipinski , Marian Mrozek

Reducing the conditions under which a given set satisfies the stipulations of the subset sum proposition to a set of linear relationships, the question of whether a set satisfies subset sum may be answered in a polynomial number of steps by…

Data Structures and Algorithms · Computer Science 2017-05-16 Aubrey Alston

Persistent homology is a popular and powerful tool for capturing topological features of data. Advances in algorithms for computing persistent homology have reduced the computation time drastically -- as long as the algorithm does not…

Computational Geometry · Computer Science 2013-10-03 Ulrich Bauer , Michael Kerber , Jan Reininghaus

It is known that a graph isomorphism testing algorithm is polynomially equivalent to a detecting of a graph non-trivial automorphism algorithm. The polynomiality of the latter algorithm, is obtained by consideration of symmetry properties…

General Mathematics · Mathematics 2007-05-23 Aleksandr Golubchik

The aim of this paper is to present a symbolic computational algorithm that will allow us to deal with the feedback stabilization problem for continuous nonlinear polynomial systems. The overall approach is based on a methodology that…

Optimization and Control · Mathematics 2007-05-23 Stelios Kotsios

Persistent homology, a technique from computational topology, has recently shown strong empirical performance in the context of graph classification. Being able to capture long range graph properties via higher-order topological features,…

Machine Learning · Computer Science 2024-12-20 Rubén Ballester , Bastian Rieck

Solving polynomial equations is a subtask of polynomial optimization. This article introduces systems of such equations and the main approaches for solving them. We discuss critical point equations, algebraic varieties, and solution counts.…

Algebraic Geometry · Mathematics 2023-04-24 Simon Telen

The purpose of this note is to survey a methodology to solve systems of polynomial equations and inequalities. The techniques we discuss use the algebra of multivariate polynomials with coefficients over a field to create large-scale linear…

Optimization and Control · Mathematics 2011-12-08 Jesus A. De Loera , Peter N. Malkin , Pablo A. Parrilo

Mathematical modelling allows us to concisely describe fundamental principles in biology. Analysis of models can help to both explain known phenomena, and predict the existence of new, unseen behaviours. Model analysis is often a complex…

Quantitative Methods · Quantitative Biology 2020-08-13 Mark Blyth , Ludovic Renson , Lucia Marucci

Counting problems, determining the number of possible states of a large system under certain constraints, play an important role in many areas of science. They naturally arise for complex disordered systems in physics and chemistry, in…

Statistical Mechanics · Physics 2009-05-15 Marc Timme , Frank van Bussel , Denny Fliegner , Sebastian Stolzenberg

Persistent (co)homology is a central construction in topological data analysis, where it is used to quantify prominence of features in data to produce stable descriptors suitable for downstream analysis. Persistence is challenging to…

Computational Geometry · Computer Science 2024-10-23 Arnur Nigmetov , Dmitriy Morozov

Given an approximation to a multiple isolated solution of a polynomial system of equations, we have provided a symbolic-numeric deflation algorithm to restore the quadratic convergence of Newton's method. Using first-order derivatives of…

Numerical Analysis · Mathematics 2007-05-23 Anton Leykin , Jan Verschelde , Ailing Zhao

This paper presents a new algorithm for the convex hull problem, which is based on a reduction to a combinatorial decision problem POLYTOPE-COMPLETENESS-COMBINATORIAL, which in turn can be solved by a simplicial homology computation. Like…

Metric Geometry · Mathematics 2007-05-23 Michael Joswig , G"unter M. Ziegler

We present the $\textit{NumericalImplicitization}$ package for $\textit{Macaulay2}$, which allows for user-friendly computation of the invariants of the image of a polynomial map, such as dimension, degree, and Hilbert function values. This…

Algebraic Geometry · Mathematics 2019-10-16 Justin Chen , Joe Kileel
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