Empirical assessment of ChatGPT’s answering capabilities in natural science and engineering

ChatGPT is a powerful language model from OpenAI that is arguably able to comprehend and generate text. ChatGPT is expected to greatly impact society, research, and education. An essential step to understand ChatGPT’s expected impact is to study its domain-specific answering capabilities. Here, we perform a systematic empirical assessment of...

Data augmentation for machine learning of chemical process flowsheets

Artificial intelligence has great potential for accelerating the design and engineering of chemical processes. Recently, we have shown that transformer-based language models can learn to auto-complete chemical process flowsheets using the SFILES 2.0 string notation. Also, we showed that language translation models can be used to translate...

Digitization of chemical process flow diagrams using deep convolutional neural networks

Advances in deep convolutional neural networks led to breakthroughs in many computer vision applications. In chemical engineering, a number of tools have been developed for the digitization of Process and Instrumentation Diagrams. However, there is no framework for the digitization of process flow diagrams (PFDs). PFDs are difficult to...

Toward automatic generation of control structures for process flow diagrams with large language models

Developing Piping and Instrumentation Diagrams (P&IDs) is a crucial step during process development. We propose a data-driven method for the prediction of control structures. Our methodology is inspired by end-to-end transformer-based human language translation models. We cast the control structure prediction as a translation task where...

Learning from flowsheets: A generative transformer model for autocompletion of flowsheets

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...

SFILES 2.0: an extended text-based flowsheet representation

SFILES are a text-based notation for chemical process flowsheets. They were originally proposed by d’Anterroches (Process flow sheet generation & design through a group contribution approach) who was inspired by the text-based SMILES notation for molecules. The text-based format has several advantages compared to flowsheet images...

Flowsheet Recognition using Deep Convolutional Neural Networks

Flowsheets are the most important building blocks to define and communicate the structure of chemical processes. Gaining access to large data sets of machine-readable chemical flowsheets could significantly enhance process synthesis through artificial intelligence. A large number of these flowsheets are publicly available in the scientific...