Publications by authors named "Mike Preuss"

Article Synopsis
  • * The study benchmarks this transformer model against existing models, finding that utilizing AlphaFold protein representations leads to better clustering and model performance compared to raw amino acid sequences, especially in low-data situations.
  • * The model successfully generates diverse and potentially active molecules that resemble known ligands while ensuring novelty, and showcases the significance of data augmentation in improving generative model performance.
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Multimodal optimization problems (MMOPs) are common problems with multiple optimal solutions. In this article, a novel method of population division, called nearest-better-neighbor clustering (NBNC), is proposed, which can reduce the risk of more than one species locating the same peak. The key idea of NBNC is to construct the raw species by linking each individual to the better individual within the neighborhood, and the final species of the population is formulated by merging the dominated raw species.

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To plan the syntheses of small organic molecules, chemists use retrosynthesis, a problem-solving technique in which target molecules are recursively transformed into increasingly simpler precursors. Computer-aided retrosynthesis would be a valuable tool but at present it is slow and provides results of unsatisfactory quality. Here we use Monte Carlo tree search and symbolic artificial intelligence (AI) to discover retrosynthetic routes.

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Social bots are currently regarded an influential but also somewhat mysterious factor in public discourse and opinion making. They are considered to be capable of massively distributing propaganda in social and online media, and their application is even suspected to be partly responsible for recent election results. Astonishingly, the term social bot is not well defined and different scientific disciplines use divergent definitions.

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During the recent decades, many niching methods have been proposed and empirically verified on some available test problems. They often rely on some particular assumptions associated with the distribution, shape, and size of the basins, which can seldom be made in practical optimization problems. This study utilizes several existing concepts and techniques, such as taboo points, normalized Mahalanobis distance, and the Ursem's hill-valley function in order to develop a new tool for multimodal optimization, which does not make any of these assumptions.

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