AITopics | Miglior, Luca

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Miglior, Luca

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If you are looking for an answer to the question What is Artificial Intelligence? and you only have a minute, then here's the definition the Association for the Advancement of Artificial Intelligence offers on its home page: "the scientific understanding of the mechanisms underlying thought and intelligent behavior and their embodiment in machines."

However, if you are fortunate enough to have more than a minute, then please get ready to embark upon an exciting journey exploring AI (but beware, it could last a lifetime) …

Towards Efficient Molecular Property Optimization with Graph Energy Based Models

Miglior, Luca, Simone, Lorenzo, Podda, Marco, Bacciu, Davide

arXiv.org Artificial IntelligenceFeb-17-2025

Optimizing chemical properties is a challenging task due to the vastness and complexity of chemical space. Here, we present a generative energy-based architecture for implicit chemical property optimization, designed to efficiently generate molecules that satisfy target properties without explicit conditional generation. We use Graph Energy Based Models and a training approach that does not require property labels.

artificial intelligence, machine learning, molecule, (15 more...)

arXiv.org Artificial Intelligence

2502.12219

Genre: Research Report > Promising Solution (0.47)

Technology: Information Technology > Artificial Intelligence > Machine Learning > Neural Networks (0.48)

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