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As data science and machine learning methods are taking on an increasingly important role in the materials research community, there is a need for the development of machine learning software tools that are easy to use (even for nonexperts…

Computational Physics · Physics 2020-06-26 Ryan Jacobs , Tam Mayeshiba , Ben Afflerbach , Luke Miles , Max Williams , Matthew Turner , Raphael Finkel , Dane Morgan

The quality of software products tends to correlate with the quality of the abstractions adopted early in the design process. Acknowledging this tendency has led to the development of various tools and methodologies for modeling systems…

Software Engineering · Computer Science 2025-03-11 Nikolaj Kühne Jakobsen

Algorithmic differentiation (AD) allows exact computation of derivatives given only an implementation of an objective function. Although many AD tools are available, a proper and efficient implementation of AD methods is not…

Mathematical Software · Computer Science 2018-07-27 Filip Šrajer , Zuzana Kukelova , Andrew Fitzgibbon

Multi-modal large language models (MLLMs) have achieved remarkable capabilities by integrating visual perception with language understanding, enabling applications such as image-grounded dialogue, visual question answering, and scientific…

Computer Vision and Pattern Recognition · Computer Science 2025-06-10 Tianyi Bai , Zengjie Hu , Fupeng Sun , Jiantao Qiu , Yizhen Jiang , Guangxin He , Bohan Zeng , Conghui He , Binhang Yuan , Wentao Zhang

This paper presents the ReXCL tool, which automates the extraction and classification processes in requirement engineering, enhancing the software development lifecycle. The tool features two main modules: Extraction, which processes raw…

Software Engineering · Computer Science 2025-04-11 Paheli Bhattacharya , Manojit Chakraborty , Santhosh Kumar Arumugam , Rishabh Gupta

We present a novel and well automatable approach to formal verification of programs with underspecified semantics, i.e., a language semantics that leaves open the order of certain evaluations. First, we reduce this problem to…

Programming Languages · Computer Science 2022-02-14 Eduard Kamburjan , Nathan Wasser

MLOps tools enable continuous development of machine learning, following the DevOps process. Different MLOps tools have been presented on the market, however, such a number of tools often create confusion on the most appropriate tool to be…

Software Engineering · Computer Science 2023-04-07 Sergio Moreschi , Gilberto Recupito , Valentina Lenarduzzi , Fabio Palomba , David Hastbacka , Davide Taibi

Software systems typically consist of various interacting components and units. While these components can be tested and shown to work correctly in isolation, when integrated and start interacting with each other, they may fail to produce…

Software Engineering · Computer Science 2018-12-07 Mehrdad Saadatmand

Instruction-tuned large language models (LLMs) excel at many tasks but often fail to use external tools due to complicated and unfamiliar syntax constraints. While extensive fine-tuning and prompting can mitigate the issue, these approaches…

Computation and Language · Computer Science 2024-06-05 Kexun Zhang , Hongqiao Chen , Lei Li , William Wang

Learning dynamical systems through operator-theoretic representations provides a powerful framework for analyzing complex dynamics, as spectral quantities such as eigenvalues and invariant structures encode characteristic time scales and…

Machine Learning · Statistics 2026-05-19 Thibaut Germain , Sami Chemlal , Rémi Flamary , Vladimir R. Kostic , Karim Lounici

Static program slicing is a fundamental technique in software engineering. Traditional static slicing tools rely on parsing complete source code, which limits their applicability to real-world scenarios where code snippets are incomplete or…

Software Engineering · Computer Science 2025-09-23 Pengfei He , Shaowei Wang , Tse-Hsun Chen

As computational challenges in optimization and statistical inference grow ever harder, algorithms that utilize derivatives are becoming increasingly more important. The implementation of the derivatives that make these algorithms so…

Mathematical Software · Computer Science 2015-09-25 Bob Carpenter , Matthew D. Hoffman , Marcus Brubaker , Daniel Lee , Peter Li , Michael Betancourt

In this work, we introduce DIRECTGO, a new MATLAB toolbox for derivative-free global optimization. DIRECTGO collects various deterministic derivative-free DIRECT-type algorithms for box-constrained, generally-constrained, and problems with…

Optimization and Control · Mathematics 2022-04-29 Linas Stripinis , Remigijus Paulavičius

Training and testing supervised object detection models require a large collection of images with ground truth labels. Labels define object classes in the image, as well as their locations, shape, and possibly other information such as…

Computer Vision and Pattern Recognition · Computer Science 2022-07-26 John Rachwan , Charbel Zalaket

Logic programming languages such as Datalog have become popular as Domain Specific Languages (DSLs) for solving large-scale, real-world problems, in particular, static program analysis and network analysis. The logic specifications which…

Programming Languages · Computer Science 2019-07-18 David Zhao , Pavle Subotic , Bernhard Scholz

This document gives a set of recommendations to build and manipulate the datasets used to develop and/or validate machine learning models such as deep neural networks. This document is one of the 3 documents defined in [1] to ensure the…

Reactive systems are characterized by the interaction with the environment, where the exchange of the input and output stimuli, usually, occurs asynchronously. Systems of this nature, in general, require a rigorous testing activity over…

Software Engineering · Computer Science 2020-11-03 Adilson Luiz Bonifacio , Camila Sonoda Gomes

SimOutUtils is a suite of MATLAB/Octave functions for studying and analyzing time series-like output from stochastic simulation models. More specifically, SimOutUtils allows modelers to study and visualize simulation output dynamics,…

Mathematical Software · Computer Science 2017-01-09 Nuno Fachada , Vitor V. Lopes , Rui C. Martins , Agostinho C. Rosa

Current descriptors for global localization often struggle under vast viewpoint or appearance changes. One possible improvement is the addition of topological information on semantic objects. However, handcrafted topological descriptors are…

Tool planning with large language models (LLMs), referring to selecting, organizing, and preparing the tools necessary to complete a user request, bridges the gap between natural language understanding and task execution. However, current…

Artificial Intelligence · Computer Science 2025-08-19 Wenjie Chen , Wenbin Li , Di Yao , Xuying Meng , Chang Gong , Jingping Bi