Publications

Jonathan Pirnay, Jan G. Rittig, Alexander B. Wolf, Martin Grohe, Jakob Burger, Alexander Mitsos, Dominik G. Grimm (2024). GraphXForm: Graph transformer for computer-aided molecular design with application to extraction.
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Jonathan Pirnay, Dominik G. Grimm (2024). Take a Step and Reconsider: Sequence Decoding for Self-Improved Neural Combinatorial Optimization. ECAI 2024.
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Jonathan Pirnay, Dominik G. Grimm (2024). Self-Improvement for Neural Combinatorial Optimization: Sample Without Replacement, but Improvement. In Transactions on Machine Learning Research (TMLR), 06/2024, Featured Certification.
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Quirin Göttl, Jonathan Pirnay, Jakob Burger, Dominik G. Grimm (2024). Deep Reinforcement Learning Enables Conceptual Design of Processes for Separating Azeotropic Mixtures Without Prior Knowledge.
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Florian Haselbeck, Maura John, Yuqi Zhang, Jonathan Pirnay, Juan Pablo Fuenzalida-Werner, Rubén D. Costa, Dominik G. Grimm (2023). Superior protein thermophilicity prediction with protein language model embeddings. In NAR Genomics and Bioinformatics.
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Quirin Göttl, Jonathan Pirnay, Dominik G. Grimm, Jakob Burger (2023). Convex Envelope Method for determining liquid multi-phase equilibria in systems with arbitrary number of components. In Computers & Chemical Engineering.
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Jonathan Pirnay, Quirin Göttl, Jakob Burger, Dominik G. Grimm (2023). Policy-Based Self-Competition for Planning Problems. ICLR 2023.
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Jonathan Pirnay, Keng Chai (2022). Inpainting Transformer for Anomaly Detection. ICIAP 2022.
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Berend Denkena, Fritz Schinkel, Jonathan Pirnay, Sören Wilmsmeier (2021). Quantum algorithms for process parallel flexible job shop scheduling. In CIRP Journal of Manufacturing Science and Technology.
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