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Automated flowsheet synthesis is an important field in computer-aided process engineering. The present work demonstrates how reinforcement learning can be used for automated flowsheet synthesis without any heuristics of prior knowledge of…

Computational Engineering, Finance, and Science · Computer Science 2021-03-16 Quirin Göttl , Dominik G. Grimm , Jakob Burger

Process synthesis in chemical engineering is a complex planning problem due to vast search spaces, continuous parameters and the need for generalization. Deep reinforcement learning agents, trained without prior knowledge, have shown to…

Machine Learning · Computer Science 2023-10-11 Quirin Göttl , Jonathan Pirnay , Jakob Burger , Dominik G. Grimm

In recent years, agentic workflows have been widely applied to solve complex human tasks. However, existing workflow construction still faces key challenges, including human-dependent workflow construction, the lack of graph-level execution…

Artificial Intelligence · Computer Science 2026-05-15 Mingda Zhang , Wenjin Liu , Tiesunlong Shen , Qika Lin , Rui Mao , Erik Cambria , Xiaoying Tang , Haoran Luo

Process design is a creative task that is currently performed manually by engineers. Artificial intelligence provides new potential to facilitate process design. Specifically, reinforcement learning (RL) has shown some success in automating…

Machine Learning · Computer Science 2023-02-08 Qinghe Gao , Haoyu Yang , Shachi M. Shanbhag , Artur M. Schweidtmann

The transformation towards renewable energy and feedstock supply in the chemical industry requires new conceptual process design approaches. Recently, breakthroughs in artificial intelligence offer opportunities to accelerate this…

Machine Learning · Computer Science 2023-08-16 Qinghe Gao , Artur M. Schweidtmann

We propose a new automated digital painting framework, based on a painting agent trained through reinforcement learning. To synthesize an image, the agent selects a sequence of continuous-valued actions representing primitive painting…

Computer Vision and Pattern Recognition · Computer Science 2019-04-05 Biao Jia , Chen Fang , Jonathan Brandt , Byungmoon Kim , Dinesh Manocha

This study addresses the challenge of forming effective groups in collaborative problem-solving environments. Recognizing the complexity of human interactions and the necessity for efficient collaboration, we propose a novel approach…

Computers and Society · Computer Science 2024-03-18 Zheng Fang , Fucai Ke , Jae Young Han , Zhijie Feng , Toby Cai

Graphs can be used to represent and reason about systems and a variety of metrics have been devised to quantify their global characteristics. However, little is currently known about how to construct a graph or improve an existing one given…

Machine Learning · Computer Science 2021-10-28 Victor-Alexandru Darvariu , Stephen Hailes , Mirco Musolesi

This work proposes a neural network architecture that learns policies for multiple agent classes in a heterogeneous multi-agent reinforcement setting. The proposed network uses directed labeled graph representations for states, encodes…

Artificial Intelligence · Computer Science 2020-10-22 Douglas De Rizzo Meneghetti , Reinaldo Augusto da Costa Bianchi

Converting process sketches into executable simulation models remains a major bottleneck in process systems engineering, requiring substantial manual effort and simulator-specific expertise. Recent advances in generative AI have improved…

Software Engineering · Computer Science 2026-03-27 Abdullah Bahamdan , Emma Pajak , John D. Hedengren , Antonio del Rio Chanona

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…

Machine Learning · Computer Science 2024-01-17 Gabriel Vogel , Lukas Schulze Balhorn , Artur M. Schweidtmann

We convert the DeepMind Mathematics Dataset into a reinforcement learning environment by interpreting it as a program synthesis problem. Each action taken in the environment adds an operator or an input into a discrete compute graph. Graphs…

Machine Learning · Computer Science 2021-07-19 Joseph Palermo , Johnny Ye , Alok Singh

We propose a novel framework to controller design in environments with a two-level structure: a known high-level graph ("map") in which each vertex is populated by a Markov decision process, called a "room". The framework "separates…

Artificial Intelligence · Computer Science 2025-03-11 Florent Delgrange , Guy Avni , Anna Lukina , Christian Schilling , Ann Nowé , Guillermo A. Pérez

Graphs are a natural representation for systems based on relations between connected entities. Combinatorial optimization problems, which arise when considering an objective function related to a process of interest on discrete structures,…

Machine Learning · Computer Science 2024-08-21 Victor-Alexandru Darvariu , Stephen Hailes , Mirco Musolesi

Control structure design is an important but tedious step in P&ID development. Generative artificial intelligence (AI) promises to reduce P&ID development time by supporting engineers. Previous research on generative AI in chemical process…

Machine Learning · Computer Science 2026-05-28 Lukas Schulze Balhorn , Kevin Degens , Artur M. Schweidtmann

Skill libraries enable large language model agents to reuse experience from past interactions, but most existing libraries store skills as isolated entries and retrieve them only by semantic similarity. This leads to two key challenges for…

Computation and Language · Computer Science 2026-05-13 Xiaoyuan Li , Moxin Li , Keqin Bao , Yubo Ma , Wenjie Wang , Dayiheng Liu , Fuli Feng

We study systems of interacting reinforced stochastic processes, where agents' decisions evolve under reinforcement, network-mediated interactions, and environmental influences. In competitive environments with irreducible networks, we…

Probability · Mathematics 2025-09-18 Michele Aleandri , Paolo Dai Pra , Ida Germana Minelli

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…

Machine Learning · Computer Science 2024-01-17 Lukas Schulze Balhorn , Edwin Hirtreiter , Lynn Luderer , Artur M. Schweidtmann

This paper discusses a system that accelerates reinforcement learning by using transfer from related tasks. Without such transfer, even if two tasks are very similar at some abstract level, an extensive re-learning effort is required. The…

Artificial Intelligence · Computer Science 2011-06-10 C. Drummond

Computational agents support humans in many areas of life and are therefore found in heterogeneous contexts. This means they operate in rapidly changing environments and can be confronted with huge state and action spaces. In order to…

Artificial Intelligence · Computer Science 2023-08-31 Nicole Merkle , Ralf Mikut
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