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Process control and optimization have been widely used to solve decision-making problems in chemical engineering applications. However, identifying and tuning the best solution algorithm is challenging and time-consuming. Machine learning…

Systems and Control · Electrical Eng. & Systems 2024-12-25 Ilias Mitrai , Prodromos Daoutidis

In this review, we highlight recent developments in the application of machine learning for molecular modeling and simulation. After giving a brief overview of the foundations, components, and workflow of a typical supervised learning…

Data Analysis, Statistics and Probability · Physics 2019-02-21 Mojtaba Haghighatlari , Johannes Hachmann

Machine learning models are poised to make a transformative impact on chemical sciences by dramatically accelerating computational algorithms and amplifying insights available from computational chemistry methods. However, achieving this…

Automated industries lead to high quality production, lower manufacturing cost and better utilization of human resources. Robotic manipulator arms have major role in the automation process. However, for complex manipulation tasks, hard…

With the rise of deep learning, there has been renewed interest within the process industries to utilize data on large-scale nonlinear sensing and control problems. We identify key statistical and machine learning techniques that have seen…

In the modern world, technology is at its peak. Different avenues in programming and technology have been explored for data analysis, automation, and robotics. Machine learning is key to optimize data analysis, make accurate predictions,…

Subcellular Processes · Quantitative Biology 2023-10-18 Akshay Bhalla , Suraj Rajendran

The last half-decade has seen a steep rise in the number of contributions on safe learning methods for real-world robotic deployments from both the control and reinforcement learning communities. This article provides a concise but holistic…

The field of fluid mechanics is rapidly advancing, driven by unprecedented volumes of data from field measurements, experiments and large-scale simulations at multiple spatiotemporal scales. Machine learning offers a wealth of techniques to…

Fluid Dynamics · Physics 2020-02-19 Steven Brunton , Bernd Noack , Petros Koumoutsakos

Due to the intrinsic complexity and nonlinearity of chemical reactions, direct applications of traditional machine learning algorithms may face with many difficulties. In this study, through two concrete examples with biological background,…

Molecular Networks · Quantitative Biology 2020-06-02 Wuyue Yang , Liangrong Peng , Yi Zhu , Liu Hong

Optimal operation of chemical processes is vital for energy, resource, and cost savings in chemical engineering. The problem of optimal operation can be tackled with reinforcement learning, but traditional reinforcement learning methods…

Machine Learning · Computer Science 2025-11-21 Dean Brandner , Sergio Lucia

Over the last ten years, we have seen a significant increase in industrial data, tremendous improvement in computational power, and major theoretical advances in machine learning. This opens up an opportunity to use modern machine learning…

Solving complex optimal control problems have confronted computational challenges for a long time. Recent advances in machine learning have provided us with new opportunities to address these challenges. This paper takes model predictive…

Optimization and Control · Mathematics 2022-07-21 Weinan E , Jiequn Han , Jihao Long

This systematic review focuses on analyzing the use of machine learning techniques for identifying and quantifying analytes in various electrochemical applications, presenting the available applications in the literature. Machine learning…

While machine learning (ML) has made significant contributions to the biopharmaceutical field, its applications are still in the early stages in terms of providing direct support for quality-by-design based development and manufacturing of…

Machine Learning · Computer Science 2023-10-17 Thanh Tung Khuat , Robert Bassett , Ellen Otte , Alistair Grevis-James , Bogdan Gabrys

This tutorial paper focuses on safe physics-informed machine learning in the context of dynamics and control, providing a comprehensive overview of how to integrate physical models and safety guarantees. As machine learning techniques…

Systems and Control · Electrical Eng. & Systems 2025-06-16 Jan Drgona , Truong X. Nghiem , Thomas Beckers , Mahyar Fazlyab , Enrique Mallada , Colin Jones , Draguna Vrabie , Steven L. Brunton , Rolf Findeisen

While artificial-intelligence-based methods suffer from lack of transparency, rule-based methods dominate in safety-critical systems. Yet, the latter cannot compete with the first ones in robustness to multiple requirements, for instance,…

Artificial Intelligence · Computer Science 2022-02-01 Andrei Aksjonov , Ville Kyrki

Machine learning techniques have found their way into computational chemistry as indispensable tools to accelerate atomistic simulations and materials design. In addition, machine learning approaches hold the potential to boost the…

Chemical Physics · Physics 2025-10-03 Johannes Voss

The development of quantum technologies relies on creating and manipulating quantum systems of increasing complexity, with key applications in computation, simulation, and sensing. This poses severe challenges in efficient control,…

Quantum Physics · Physics 2025-09-09 Hailan Ma , Bo Qi , Ian R. Petersen , Re-Bing Wu , Herschel Rabitz , Daoyi Dong

In the rapidly advancing landscape of contemporary technology, power electronics assume a pivotal role across diverse applications, ranging from renewable energy systems to electric vehicles and consumer electronics. The efficacy and…

Systems and Control · Electrical Eng. & Systems 2023-10-10 Maryam Bahrami , Zeyad Khashroum

Machine learning has been successful in building control policies to drive a complex system to desired states in various applications (e.g. games, robotics, etc.). To be specific, a number of parameters of policy can be automatically…

Artificial Intelligence · Computer Science 2025-03-28 Yongshuai Liu , Taeyeong Choi , Xin Liu
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