Learning from flowsheets: A generative transformer model for autocompletion of flowsheets
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arXiv
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| Autori principali: | , , |
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| Natura: | Preprint |
| Pubblicazione: |
2022
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| _version_ | 1866914640568516608 |
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| author | Vogel, Gabriel Balhorn, Lukas Schulze Schweidtmann, Artur M. |
| author_facet | Vogel, Gabriel Balhorn, Lukas Schulze Schweidtmann, Artur M. |
| contents | We propose a novel method enabling autocompletion of chemical flowsheets. This idea is inspired by the autocompletion of text. We represent flowsheets as strings using the text-based SFILES 2.0 notation and learn the grammatical structure of the SFILES 2.0 language and common patterns in flowsheets using a transformer-based language model. We pre-train our model on synthetically generated flowsheets to learn the flowsheet language grammar. Then, we fine-tune our model in a transfer learning step on real flowsheet topologies. Finally, we use the trained model for causal language modeling to autocomplete flowsheets. Eventually, the proposed method can provide chemical engineers with recommendations during interactive flowsheet synthesis. The results demonstrate a high potential of this approach for future AI-assisted process synthesis. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2208_00859 |
| institution | arXiv |
| publishDate | 2022 |
| record_format | arxiv |
| spellingShingle | Learning from flowsheets: A generative transformer model for autocompletion of flowsheets Vogel, Gabriel Balhorn, Lukas Schulze Schweidtmann, Artur M. Machine Learning Computation and Language We propose a novel method enabling autocompletion of chemical flowsheets. This idea is inspired by the autocompletion of text. We represent flowsheets as strings using the text-based SFILES 2.0 notation and learn the grammatical structure of the SFILES 2.0 language and common patterns in flowsheets using a transformer-based language model. We pre-train our model on synthetically generated flowsheets to learn the flowsheet language grammar. Then, we fine-tune our model in a transfer learning step on real flowsheet topologies. Finally, we use the trained model for causal language modeling to autocomplete flowsheets. Eventually, the proposed method can provide chemical engineers with recommendations during interactive flowsheet synthesis. The results demonstrate a high potential of this approach for future AI-assisted process synthesis. |
| title | Learning from flowsheets: A generative transformer model for autocompletion of flowsheets |
| topic | Machine Learning Computation and Language |
| url | https://arxiv.org/abs/2208.00859 |