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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
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.
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Mutation Testing for Industrial Robotic Systems
Santos, Marcela Gonçalves dos, Hallé, Sylvain, Petrillo, Fábio
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.
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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.
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On the Equivalence of Regression and Classification
Jayadeva, null, Dwivedi, Naman, Krishnan, Hari, Krishnan, N. M. Anoop
A formal link between regression and classification has been tenuous. Even though the margin maximization term $\|w\|$ is used in support vector regression, it has at best been justified as a regularizer. We show that a regression problem with $M$ samples lying on a hyperplane has a one-to-one equivalence with a linearly separable classification task with $2M$ samples. We show that margin maximization on the equivalent classification task leads to a different regression formulation than traditionally used. Using the equivalence, we demonstrate a ``regressability'' measure, that can be used to estimate the difficulty of regressing a dataset, without needing to first learn a model for it. We use the equivalence to train neural networks to learn a linearizing map, that transforms input variables into a space where a linear regressor is adequate.
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