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A Mathematica package for color summed calculations in QCD (SU(Nc)) is presented. Color contractions of any color amplitude appearing in QCD may be performed, and the package uses a syntax which is very similar to how color structure is…

High Energy Physics - Phenomenology · Physics 2013-04-12 Malin Sjödahl

Gamma uncertainty sets have been introduced for adjusting the degree of conservatism of robust counterparts of (discrete) linear programs. The contribution of this paper is a generalization of this approach to (mixed integer) nonlinear…

Optimization and Control · Mathematics 2023-04-05 Dennis Adelhütte , Frauke Liers

We propose an approach to the semantics of package management which relates it to general event structures, well-known mathematical objects used in the semantics of concurrent, nondeterministic systems. In this approach, the data of a…

Logic in Computer Science · Computer Science 2021-07-06 Gershom Bazerman

We describe a framework for systematic enumeration of families combinatorial structures which possess a certain regularity. More precisely, we describe how to obtain the differential equations satisfied by their generating series. These…

Combinatorics · Mathematics 2008-02-28 Marni Mishna

The use of copula-based models in EDAs (estimation of distribution algorithms) is currently an active area of research. In this context, the copulaedas package for R provides a platform where EDAs based on copulas can be implemented and…

Neural and Evolutionary Computing · Computer Science 2014-07-02 Yasser Gonzalez-Fernandez , Marta Soto

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic…

Chemical Physics · Physics 2020-05-27 E. Aprà , E. J. Bylaska , W. A. de Jong , N. Govind , K. Kowalski , T. P. Straatsma , M. Valiev , H. J. J. van Dam , Y. Alexeev , J. Anchell , V. Anisimov , F. W. Aquino , R. Atta-Fynn , J. Autschbach , N. P. Bauman , J. C. Becca , D. E. Bernholdt , K. Bhaskaran-Nair , S. Bogatko , P. Borowski , J. Boschen , J. Brabec , A. Bruner , E. Cauët , Y. Chen , G. N. Chuev , C. J. Cramer , J. Daily , M. J. O. Deegan , T. H. Dunning , M. Dupuis , K. G. Dyall , G. I. Fann , S. A. Fischer , A. Fonari , H. Früuchtl , L. Gagliardi , J. Garza , N. Gawande , S. Ghosh , K. Glaesemann , A. W. Götz , J. Hammond , V. Helms , E. D. Hermes , K. Hirao , S. Hirata , M. Jacquelin , L. Jensen , B. G. Johnson , H. Jónsson , R. A. Kendall , M. Klemm , R. Kobayashi , V. Konkov , S. Krishnamoorthy , M. Krishnan , Z. Lin , R. D. Lins , R. J. Littlefield , A. J. Logsdail , K. Lopata , W. Ma , A. V. Marenich , J. Martin del Campo , D. Mejia-Rodriguez , J. E. Moore , J. M. Mullin , T. Nakajima , D. R. Nascimento , J. A. Nichols , P. J. Nichols , J. Nieplocha , A. Otero de la Roza , B. Palmer , A. Panyala , T. Pirojsirikul , B. Peng , R. Peverati , J. Pittner , L. Pollack , R. M. Richard , P. Sadayappan , G. C. Schatz , W. A. Shelton , D. W. Silverstein , D. M. A. Smith , T. A. Soares , D. Song , M. Swart , H. L. Taylor , G. S. Thomas , V. Tipparaju , D. G. Truhlar , K. Tsemekhman , T. Van Voorhis , Á. Vázquez-Mayagoitia , P. Verma , O. Villa , A. Vishnu , K. D. Vogiatzis , D. Wang , J. H. Weare , M. J. Williamson , T. L. Windus , K. Woliński , A. T. Wong , Q. Wu , C. Yang , Q. Yu , M. Zacharias , Z. Zhang , Y. Zhao , R. J. Harrison

CP2K is a versatile open-source software package for simulations across a wide range of atomistic systems, from isolated molecules in the gas phase to low-dimensional functional materials and interfaces, as well as highly symmetric…

In this work we report on a new version of FeynCalc, a Mathematica package widely used in the particle physics community for manipulating quantum field theoretical expressions and calculating Feynman diagrams. Highlights of the new version…

High Energy Physics - Phenomenology · Physics 2024-09-02 Vladyslav Shtabovenko , Rolf Mertig , Frederik Orellana

We propose a set of compositional design patterns to describe a large variety of systems that combine statistical techniques from machine learning with symbolic techniques from knowledge representation. As in other areas of computer science…

Artificial Intelligence · Computer Science 2019-05-30 Frank van Harmelen , Annette ten Teije

Requirements are formulated for a reaction kinetics package to be useful for an as wide as possible circle of users and illustrated with examples using ReactionKinetics, a Mathematica based package.

Numerical Analysis · Mathematics 2011-07-18 J. Tóth , A. L. Nagy , D. Papp

This article is an introduction to combinatorics under the axiom of determinacy with a focus on partition properties and infinity Borel codes.

Logic · Mathematics 2020-07-02 William Chan

Background: Current nomogram can only be created for regression algorithm. Providing nomogram for any machine learning (ML) algorithms may accelerate model deployment in clinical settings or improve model availability. We developed an R…

Machine Learning · Computer Science 2025-01-13 Herdiantri Sufriyana , Emily Chia-Yu Su

A new method for combining several initial estimators of the regression function is introduced. Instead of building a linear or convex optimized combination over a collection of basic estimators $r_1,\dots,r_M$, we use them as a collective…

Statistics Theory · Mathematics 2019-05-24 Gérard Biau , Aurélie Fischer , Benjamin Guedj , James Malley

We present assembly-theory, a Rust package for computing assembly indices of covalently bonded molecular structures. This is a key complexity measure of assembly theory, a recent theoretical framework quantifying selection across diverse…

The numerical Hilbert series combinatorics and the comodule Hilbert series combinatorics are introduced, and some applications are presented, including the MacMahon Master Theorem.

Rings and Algebras · Mathematics 2009-01-09 Roland Berger

The rebmix package provides R functions for random univariate and multivariate finite mixture model generation, estimation, clustering and classification. The paper is focused on multivariate normal mixture models with unrestricted…

Machine Learning · Statistics 2018-01-29 Marko Nagode

An early-stage version of simulation package is developed for electronic structure calculation and dynamics of atom process in large-scale systems, particularly, nm-scale or 10nm-scale systems. We adopted the Extensible Markup Language…

Materials Science · Physics 2007-11-02 Hitoshi Nitta , Naoki Watanabe , Takeo Hoshi , Takeo Fujiwara

The use of packaged libraries can significantly shorten the software development cycle by improving the quality and readability of code. In this paper, we present a recommendation engine called Librarian for open source libraries. A…

Software Engineering · Computer Science 2023-02-08 Lili Tao , Alexandru-Petre Cazan , Senad Ibraimoski , Sean Moran

We present a free open source package for high performance simulation and numerical investigation of boson samplers and, more generally, multi-photon interferometry. Our package is written in Julia, allowing C-like performance with easy…

Quantum Physics · Physics 2024-06-19 Benoit Seron , Antoine Restivo

In this note we compute some enumerative invariants of real and complex projective spaces by means of some enriched graphs called floor diagrams.

Algebraic Geometry · Mathematics 2007-06-04 Erwan Brugallé , Grigory Mikhalkin