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Calibration is a crucial step for the validation of computational models and a challenging task to accomplish. Dynamic Energy Budget (DEB) theory has experienced an exponential rise in the number of published papers, which in large part has…

Neural and Evolutionary Computing · Computer Science 2023-01-19 Juan Francisco Robles , Manuel Chica , Ramón Filgueira , Antonio Agüera , Sergio Damas

This research explores the application of quadratic polynomials in Python for advanced data analysis. The study demonstrates how quadratic models can effectively capture nonlinear relationships in complex datasets by leveraging Python…

Methodology · Statistics 2025-09-16 Rostyslav Sipakov , Olena Voloshkina , Anastasiia Kovalova

Simflowny is an open platform which automatically generates efficient parallel code of scientific dynamical models for different simulation frameworks. Here we present major upgrades on this software to support simultaneously a quite…

Computational Physics · Physics 2020-12-02 C. Palenzuela , B. Miñano , A. Arbona , C. Bona-Casas , C. Bona , J. Massó

Designing polymers for targeted applications and accurately predicting their properties is a key challenge in materials science owing to the vast and complex polymer chemical space. While molecular language models have proven effective in…

Soft Condensed Matter · Physics 2025-10-20 Anagha Savit , Harikrishna Sahu , Shivank Shukla , Wei Xiong , Rampi Ramprasad

This paper is an overview of Image Processing and Analysis using Scilab, a free prototyping environment for numerical calculations similar to Matlab. We demonstrate the capabilities of SIP -- the Scilab Image Processing Toolbox -- which…

Mathematical Software · Computer Science 2012-03-20 Ricardo Fabbri , Odemir Martinez Bruno , Luciano da Fontoura Costa

A finite-difference Micromagnetic simulation code written in MATLAB is presented with Graphics Processing Unit (GPU) acceleration. The high performance of Graphics Processing Unit (GPU) is demonstrated compared to a typical Central…

Computational Engineering, Finance, and Science · Computer Science 2015-01-30 Ru Zhu

Matrix multiplication is a fundamental kernel in large-scale artificial intelligence and scientific computing, but its performance on conventional electronic accelerators is increasingly constrained by memory bandwidth and energy…

Emerging Technologies · Computer Science 2026-04-15 Hailong Gong , Haibo Zhang , Amanda S. Barnard , Mahbub Hassan , Matt Woolley , Rajkumar Buyya

polyDB is a database for discrete geometric objects. The database is accessible via web and an interface from the software package polymake. It contains various datasets from the area of lattice polytopes, combinatorial polytopes, matroids…

Combinatorics · Mathematics 2017-11-09 Andreas Paffenholz

Integer Linear Programming (ILP) provides a viable mechanism to encode explicit and controllable assumptions about explainable multi-hop inference with natural language. However, an ILP formulation is non-differentiable and cannot be…

Artificial Intelligence · Computer Science 2022-08-09 Mokanarangan Thayaparan , Marco Valentino , André Freitas

Continual learning enables AI systems to acquire new knowledge while retaining previously learned information. While traditional unimodal methods have made progress, the rise of Multimodal Large Language Models (MLLMs) brings new challenges…

Computer Vision and Pattern Recognition · Computer Science 2026-01-01 Haiyang Guo , Fei Zhu , Hongbo Zhao , Fanhu Zeng , Wenzhuo Liu , Shijie Ma , Da-Han Wang , Xu-Yao Zhang

We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions. By integrating large language models (LLMs) with…

Artificial Intelligence · Computer Science 2026-02-09 Lijie Ding , Jan-Michael Carrillo , Changwoo Do

This article introduces PnCP, a MATLAB toolbox for constructing positive maps which are not completely positive. We survey optimization and sum of squares relaxation techniques to find the most numerically efficient methods for this…

Optimization and Control · Mathematics 2020-01-07 Abhishek Bhardwaj

Polarimetric Synthetic Aperture Radar (PolSAR) covariance matrices and their extracted multi-features - such as scattering angle, entropy, texture, and boundary descriptors - provide complementary and physically interpretable information…

Computer Vision and Pattern Recognition · Computer Science 2025-10-14 Junfei Shi , Haojia Zhang , Haiyan Jin , Junhuai Li , Xiaogang Song , Yuanfan Guo , Haonan Su , Weisi Lin

We present the graph-based molecule software Molassembler for building organic and inorganic molecules. Molassembler provides algorithms for the construction of molecules built from any set of elements from the periodic table. In…

Chemical Physics · Physics 2022-05-12 Jan-Grimo Sobez , Markus Reiher

This paper introduces Paraconsistent-Lib, an open-source, easy-to-use Python library for building PAL2v algorithms in reasoning and decision-making systems. Paraconsistent-Lib is designed as a general-purpose library of PAL2v standard…

This work presents a fully GPU-accelerated algorithm for the polygonal mesh generator known as Polylla. Polylla is a tri-to-polygon mesh generator, which benefits from the half-edge data structure to manage any polygonal shape. The proposed…

Graphics · Computer Science 2024-03-25 Sergio Salinas-Fernández , Nancy Hitschfeld-Kahler , Roberto Carrasco

Optimization on manifolds is a class of methods for optimization of an objective function, subject to constraints which are smooth, in the sense that the set of points which satisfy the constraints admits the structure of a differentiable…

Mathematical Software · Computer Science 2020-09-03 James Townsend , Niklas Koep , Sebastian Weichwald

PiML (read $\pi$-ML, /`pai`em`el/) is an integrated and open-access Python toolbox for interpretable machine learning model development and model diagnostics. It is designed with machine learning workflows in both low-code and high-code…

Machine Learning · Computer Science 2023-12-21 Agus Sudjianto , Aijun Zhang , Zebin Yang , Yu Su , Ningzhou Zeng

We discuss the parallelization of algorithms for solving polynomial systems symbolically by way of triangular decomposition. Algorithms for solving polynomial systems combine low-level routines for performing arithmetic operations on…

Symbolic Computation · Computer Science 2019-06-04 Mohammadali Asadi , Alexander Brandt , Robert H. C. Moir , Marc Moreno Maza , Yuzhen Xie

This paper focuses on the study of a mathematical program with equilibrium constraints, where the objective and the constraint functions are all polynomials. We present a method for finding its global minimizers and global minimum using a…

Optimization and Control · Mathematics 2019-03-25 Liguo Jiao , Jae Hyoung Lee , Tien-Son Pham
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