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Process synthesis experiences a disruptive transformation accelerated by digitization and artificial intelligence. We propose a reinforcement learning algorithm for chemical process design based on a state-of-the-art actor-critic logic. Our…

Machine Learning · Computer Science 2024-01-17 Laura Stops , Roel Leenhouts , Qinghe Gao , Artur M. Schweidtmann

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

This paper demonstrates the application of reinforcement learning (RL) to process synthesis by presenting Distillation Gym, a set of RL environments in which an RL agent is tasked with designing a distillation train, given a user defined…

Machine Learning · Computer Science 2020-09-29 Laurence Illing Midgley

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

Reactive computer systems bear inherent complexity due to continuous interactions with their environment. While this environment often proves to be uncontrollable, we still want to ensure that critical computer systems will not fail, no…

Computer Science and Game Theory · Computer Science 2012-10-19 Mickael Randour

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

This paper shows the implementation of reinforcement learning (RL) in commercial flowsheet simulator software (Aspen Plus V12) for designing and optimising a distillation sequence. The aim of the SAC agent was to separate a hydrocarbon…

Machine Learning · Computer Science 2022-11-09 Stephan C. P. A. van Kalmthout , Laurence I. Midgley , Meik B. Franke

A key theme in the past decade has been that when large neural networks and large datasets combine they can produce remarkable results. In deep reinforcement learning (RL), this paradigm is commonly made possible through experience replay,…

Machine Learning · Computer Science 2023-10-30 Cong Lu , Philip J. Ball , Yee Whye Teh , Jack Parker-Holder

Recently, reinforcement learning has been used to address logic synthesis by formulating the operator sequence optimization problem as a Markov decision process. However, through extensive experiments, we find out that the learned policy…

Machine Learning · Computer Science 2022-06-28 Chao Wang , Chen Chen , Dong Li , Bin Wang

Controller synthesis is in essence a case of model-based planning for non-deterministic environments in which plans (actually ''strategies'') are meant to preserve system goals indefinitely. In the case of supervisory control environments…

Machine Learning · Computer Science 2023-05-05 Tomás Delgado , Marco Sánchez Sorondo , Víctor Braberman , Sebastián Uchitel

This paper proposes DeepSynth, a method for effective training of deep Reinforcement Learning (RL) agents when the reward is sparse and non-Markovian, but at the same time progress towards the reward requires achieving an unknown sequence…

Machine Learning · Computer Science 2021-03-09 Mohammadhosein Hasanbeig , Natasha Yogananda Jeppu , Alessandro Abate , Tom Melham , Daniel Kroening

Knowledge distillation between machine learning models has opened many new avenues for parameter count reduction, performance improvements, or amortizing training time when changing architectures between the teacher and student network. In…

Machine Learning · Computer Science 2020-11-24 Jonathan Raiman

A reinforcement learning algorithm accomplishes the task of synthesizing a set-theoretical formula that evaluates to given truth values for given assignments.

Artificial Intelligence · Computer Science 2019-12-04 Chad E. Brown , Thibault Gauthier

Conducting reinforcement learning (RL) in simulated environments offers a cost-effective and highly scalable way to enhance language-based agents. However, previous work has been limited to semi-automated environment synthesis or tasks…

Computation and Language · Computer Science 2025-12-30 Shihao Cai , Runnan Fang , Jialong Wu , Baixuan Li , Xinyu Wang , Yong Jiang , Liangcai Su , Liwen Zhang , Wenbiao Yin , Zhen Zhang , Fuli Feng , Pengjun Xie , Xiaobin Wang

Chemical plants are complex and dynamical systems consisting of many components for manipulation and sensing, whose state transitions depend on various factors such as time, disturbance, and operation procedures. For the purpose of…

Artificial Intelligence · Computer Science 2019-03-07 Shumpei Kubosawa , Takashi Onishi , Yoshimasa Tsuruoka

An important component of many Deep Reinforcement Learning algorithms is the Experience Replay which serves as a storage mechanism or memory of made experiences. These experiences are used for training and help the agent to stably find the…

Machine Learning · Computer Science 2020-02-05 Wenzel Baron Pilar von Pilchau , Anthony Stein , Jörg Hähner

Unitary synthesis is the process of decomposing a target unitary transformation into a sequence of quantum gates. This is a challenging task, as the number of possible gate combinations grows exponentially with the circuit depth. In this…

Quantum Physics · Physics 2025-09-01 Xavier Valcarce , Bastien Grivet , Nicolas Sangouard

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

Large language models (LLMs) have been widely adopted for synthetic data generation, significantly reducing annotation costs. However, most existing studies treat synthesis as a set of isolated tasks and overlook a more fundamental…

Artificial Intelligence · Computer Science 2026-05-29 Zhenlin Hu , Yan Wang , Zhen Bi , Zihao Xue , Bingyu Zhu , Longtao Huang , Xiongtao Zhang , Zeyu Yang , Zhixuan Chu , Jungang Lou

The synthesis process is essential for achieving computational experiment design in the field of inorganic materials chemistry. In this work, we present a novel corpus of the synthesis process for all-solid-state batteries and an automated…

Computation and Language · Computer Science 2020-02-19 Fusataka Kuniyoshi , Kohei Makino , Jun Ozawa , Makoto Miwa
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