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Synthetic polymers are versatile and widely used materials. Similar to small organic molecules, a large chemical space of such materials is hypothetically accessible. Computational property prediction and virtual screening can accelerate…

Machine Learning · Computer Science 2022-10-13 Matteo Aldeghi , Connor W. Coley

This paper examines the structure of poset matrices by formulating a set of new construction rules for this purpose. In this direction, the technique of partial composition operation will be introduced as the basis for the construction of…

Combinatorics · Mathematics 2024-01-09 Arnauld Mesinga Mwafise

Mathematical software systems are becoming more and more important in pure and applied mathematics in order to deal with the complexity and scalability issues inherent in mathematics. In the last decades we have seen a cambric explosion of…

Mathematical Software · Computer Science 2020-02-13 Katja Bercic , Jacques Carette , William M. Farmer , Michael Kohlhase , Dennis Müller , Florian Rabe , Yasmine Sharoda

Picat, a new member of the logic programming family, follows a different doctrine than Prolog in offering the core logic programming concepts: arrays and maps as built-in data types; implicit pattern matching with explicit unification and…

Programming Languages · Computer Science 2014-05-13 Neng-Fa Zhou

This paper summarizes the essential functionality of the computer algebra package HarmonicSums. On the one hand HarmonicSums can work with nested sums such as harmonic sums and their generalizations and on the other hand it can treat…

Symbolic Computation · Computer Science 2014-07-24 Jakob Ablinger

Set-functions appear in many areas of computer science and applied mathematics, such as machine learning, computer vision, operations research or electrical networks. Among these set-functions, submodular functions play an important role,…

Machine Learning · Computer Science 2010-11-17 Francis Bach

This is a survey article on trees, with a modest number of proofs to give a flavor of the way these topologies can be efficiently handled. Trees are defined in set-theorist fashion as partially ordered sets in which the elements below each…

General Topology · Mathematics 2007-05-23 Peter J. Nyikos

This preprint contains a description of a package for Mathematica called EinS. This package allows one to perform various calculations with indexed objects.

General Relativity and Quantum Cosmology · Physics 2007-05-23 Sergei A. Klioner

This document is the manual for a free Mathematica package for computing with harmonic functions. This package allows the user to make calculations that would take a prohibitive amount of time if done without a computer. For example, the…

Mathematical Software · Computer Science 2016-11-08 Sheldon Axler

In order to work with mathematical content in computer systems, it is necessary to represent it in formal languages. Ideally, these are supported by tools that verify the correctness of the content, allow computing with it, and produce…

Logic in Computer Science · Computer Science 2020-05-27 Cezary Kaliszyk , Florian Rabe

The paper studies complementary choice functions, i.e. monotonic and consistent choice functions. Such choice functions were introduced and used in the work \cite{RY} for investigation of matchings with complementary contracts. Three…

Combinatorics · Mathematics 2022-09-15 Vladimir Danilov

We consider a refinement of the partition function of graph homomorphisms and present a quasi-polynomial algorithm to compute it in a certain domain. As a corollary, we obtain quasi-polynomial algorithms for computing partition functions…

Combinatorics · Mathematics 2015-08-04 Alexander Barvinok , Pablo Soberón

Mathematical Selection is a method in which we select a particular choice from a set of such. It have always been an interesting field of study for mathematicians. Accordingly, Combinatorial Optimization is a sub field of this domain of…

Computational Complexity · Computer Science 2023-06-29 Anurag Dutta , K. Lakshmanan , A. Ramamoorthy , Liton Chandra Voumik , John Harshith , John Pravin Motha

We present an analogue of the differential calculus in which the role of polynomials is played by certain ordered sets and trees. Our combinatorial calculus has all nice features of the usual calculus and has an advantage that the elements…

Combinatorics · Mathematics 2007-08-28 Artur Jez , Piotr Sniady

In the present article a new method of deriving integral representations of combinations and partitions in terms of harmonic products has been established. This method may be relevant to statistical mechanics and to number theory.

Mathematical Physics · Physics 2011-03-02 Michalis Psimopoulos

This research addresses a new tool for data analysis known as Topological Data Analysis TDA It underlies an area of Mathematics known as Combinatorial Algebra or more recently Algebraic Topology which through making strong use of…

Statistics Theory · Mathematics 2021-06-29 Daniel Trejo Medina , Karla Sarai Jimenez

Combinatorics studies how discrete objects can be counted, arranged, and combined under specified rules. Motivated by uncertainty in real-world data and decisions, modern set-theoretic formalisms such as fuzzy sets, neutrosophic sets, rough…

Artificial Intelligence · Computer Science 2026-02-24 Takaaki Fujita , Florentin Smarandache

We present bipartiteSUSY, a Mathematica package designed to perform calculations for physical theories based on bipartite graphs. In particular, the package can employ the recently developed arsenal of techniques surrounding on-shell…

High Energy Physics - Theory · Physics 2017-02-15 Daniele Galloni

This paper studies the polynomial optimization problem whose feasible set is a union of several basic closed semialgebraic sets. We propose a unified hierarchy of Moment-SOS relaxations to solve it globally. Under some assumptions, we prove…

Optimization and Control · Mathematics 2024-05-21 Jiawang Nie , Linghao Zhang

This is a tutorial introduction to the functional analysis mathematics needed in many physical problems, such as in waves in continuous media. Functional analysis takes us beyond finite matrices, allowing us to work with infinite sets of…

Functional Analysis · Mathematics 2019-04-15 David A. B. Miller