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GENIUS: An Agentic AI Framework for Autonomous Design and Execution of Simulation Protocols

Soleymanibrojeni, Mohammad, Aydin, Roland, Guedes-Sobrinho, Diego, Dias, Alexandre C., Piotrowski, Maurício J., Wenzel, Wolfgang, Rêgo, Celso Ricardo Caldeira

arXiv.org Artificial Intelligence

Computational simulations have revolutionized materials design, accelerating innovation by allowing researchers to explore material properties and their behaviors virtually before experimental validation[1-4]. This shift has led to significant breakthroughs that range from energy storage[5, 6] to pharmaceutical development[7, 8]. However, a persistent challenge undermines this potential: the technical barriers to effective simulation setup disproportionately burden researchers, particularly those whose expertise lies in experimental rather than computational domains. When scientists identify a promising new compound, understanding its fundamental properties often requires computational validation. Y et, even seemingly straightforward simulations frequently lead to lengthy technical challenges. Even experienced computational scientists (physicists, chemists, engineers) find themselves diverted from scientific inquiry toward navigating complex programming challenges, engaging in trial-and-error attempts, and struggling with computational setup details rather than focusing on the scientific questions[9]. Integrated Computational Materials Engineering (ICME) has emerged as a robust framework to accelerate materials development by synergizing experimental data, simulations, and theoretical models across multiple scales.


Identification of Malicious Posts on the Dark Web Using Supervised Machine Learning

Filho, Sebastião Alves de Jesus, Bernardo, Gustavo Di Giovanni, Gabriel, Paulo Henrique Ribeiro, Zarpelão, Bruno Bogaz, Miani, Rodrigo Sanches

arXiv.org Artificial Intelligence

Given the constant growth and increasing sophistication of cyberattacks, cybersecurity can no longer rely solely on traditional defense techniques and tools. Proactive detection of cyber threats has become essential to help security teams identify potential risks and implement effective mitigation measures. Cyber Threat Intelligence (CTI) plays a key role by providing security analysts with evidence-based knowledge about cyber threats. CTI information can be extracted using various techniques and data sources; however, machine learning has proven promising. As for data sources, social networks and online discussion forums are commonly explored. In this study, we apply text mining techniques and machine learning to data collected from Dark Web forums in Brazilian Portuguese to identify malicious posts. Our contributions include the creation of three original datasets, a novel multi-stage labeling process combining indicators of compromise (IoCs), contextual keywords, and manual analysis, and a comprehensive evaluation of text representations and classifiers. To our knowledge, this is the first study to focus specifically on Brazilian Portuguese content in this domain. The best-performing model, using LightGBM and TF-IDF, was able to detect relevant posts with high accuracy. We also applied topic modeling to validate the model's outputs on unlabeled data, confirming its robustness in real-world scenarios.





Mutation Testing for Industrial Robotic Systems

Santos, Marcela Gonçalves dos, Hallé, Sylvain, Petrillo, Fábio

arXiv.org Artificial Intelligence

Industrial robotic systems (IRS) are increasingly deployed in diverse environments, where failures can result in severe accidents and costly downtime. Ensuring the reliability of the software controlling these systems is therefore critical. Mutation testing, a technique widely used in software engineering, evaluates the effectiveness of test suites by introducing small faults, or mutants, into the code. However, traditional mutation operators are poorly suited to robotic programs, which involve message-based commands and interactions with the physical world. This paper explores the adaptation of mutation testing to IRS by defining domain-specific mutation operators that capture the semantics of robot actions and sensor readings. We propose a methodology for generating meaningful mutants at the level of high-level read and write operations, including movement, gripper actions, and sensor noise injection. An empirical study on a pick-and-place scenario demonstrates that our approach produces more informative mutants and reduces the number of invalid or equivalent cases compared to conventional operators. Results highlight the potential of mutation testing to enhance test suite quality and contribute to safer, more reliable industrial robotic systems.


Checklist

Neural Information Processing Systems

For all authors... (a) Do the main claims made in the abstract and introduction accurately reflect the paper's contributions and scope? If you ran experiments... (a) Did you include the code, data, and instructions needed to reproduce the main experimental results (either in the supplemental material or as a URL)? [Y es] Please refer to the TwiBot-22 GitHub repository listed in Section A.6. Since TwiBot-22 aims to facilitate bot detection research and certain bots are designed to be offensive, there might be offensive content. 5. If you used crowdsourcing or conducted research with human subjects... (a) Did you include the full text of instructions given to participants and screenshots, if applicable? [N/A] (b) Did you describe any potential participant risks, with links to Institutional Review Board (IRB) approvals, if applicable? [N/A] (c) Did you include the estimated hourly wage paid to participants and the total amount spent on participant compensation? Entity Name Description Main Metadata User Users are the most important entity on Twittersphere. It is used to link tweets with the same theme together. A.1 Entities and Relations TwiBot-22 collects four types of entities on the Twitter social network: user, tweet, list, and hashtag.