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Recent applications of machine learning and statistical inference provide case studies demonstrating how such approaches can accelerate the discovery process in physical chemistry and related fields. Examples discussed in this review…

Chemical Physics · Physics 2017-06-20 Ryan B. Jadrich , Beth A. Lindquist , Thomas M. Truskett

Optimization problems in engineering and applied mathematics are typically solved in an iterative fashion, by systematically adjusting the variables of interest until an adequate solution is found. The iterative algorithms that govern these…

Optimization and Control · Mathematics 2022-05-31 Laurent Lessard

With dramatic breakthroughs in recent years, machine learning is showing great potential to upgrade the toolbox for power system optimization. Understanding the strength and limitation of machine learning approaches is crucial to decide…

Systems and Control · Electrical Eng. & Systems 2022-02-03 Guangchun Ruan , Haiwang Zhong , Guanglun Zhang , Yiliu He , Xuan Wang , Tianjiao Pu

The performance, reliability, cost, size and energy usage of computing systems can be improved by one or more orders of magnitude by the systematic use of modern control and optimization methods. Computing systems rely on the use of…

Systems and Control · Computer Science 2017-10-13 Eric C. Kerrigan

This paper surveys the machine learning literature and presents in an optimization framework several commonly used machine learning approaches. Particularly, mathematical optimization models are presented for regression, classification,…

Optimization and Control · Mathematics 2021-01-12 Claudio Gambella , Bissan Ghaddar , Joe Naoum-Sawaya

Industrial robots typically require very structured and predictable working environments, and explicit programming, in order to perform well. Therefore, expensive and time-consuming engineering work is a major obstruction when mediating…

Robotics · Computer Science 2019-05-28 Martin Karlsson

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

Optimization problems are crucial in artificial intelligence. Optimization algorithms are generally used to adjust the performance of artificial intelligence models to minimize the error of mapping inputs to outputs. Current evaluation…

Artificial Intelligence · Computer Science 2021-11-23 Zhicheng He

Nowadays, the continuous improvement and automation of industrial processes has become a key factor in many fields, and in the chemical industry, it is no exception. This translates into a more efficient use of resources, reduced production…

Machine Learning · Computer Science 2020-09-28 Enrique Garcia-Ceja , Åsmund Hugo , Brice Morin , Per-Olav Hansen , Espen Martinsen , An Ngoc Lam , Øystein Haugen

In coal-fired power plants, it is critical to improve the operational efficiency of boilers for sustainability. In this work, we formulate real-time boiler control as an optimization problem that looks for the best distribution of…

Systems and Control · Computer Science 2019-03-13 Yukun Ding , Yiyu Shi

There has been considerable growth and interest in industrial applications of machine learning (ML) in recent years. ML engineers, as a consequence, are in high demand across the industry, yet improving the efficiency of ML engineers…

Machine Learning · Computer Science 2020-05-05 Anh Truong , Austin Walters , Jeremy Goodsitt , Keegan Hines , C. Bayan Bruss , Reza Farivar

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…

We present a perspective on molecular machine learning (ML) in the field of chemical process engineering. Recently, molecular ML has demonstrated great potential in (i) providing highly accurate predictions for properties of pure components…

Chemical Physics · Physics 2025-09-01 Jan G. Rittig , Manuel Dahmen , Martin Grohe , Philippe Schwaller , Alexander Mitsos

The task of learning to pick a single preferred example out a finite set of examples, an "optimal choice problem", is a supervised machine learning problem with complex, structured input. Problems of optimal choice emerge often in various…

Artificial Intelligence · Computer Science 2017-07-07 Marina Sapir

Machine learning models are routinely integrated into process mining pipelines to carry out tasks like data transformation, noise reduction, anomaly detection, classification, and prediction. Often, the design of such models is based on…

Machine Learning · Computer Science 2024-02-21 Paolo Ceravolo , Sylvio Barbon Junior , Ernesto Damiani , Wil van der Aalst

This paper demonstrates many immediate connections between adaptive control and optimization methods commonly employed in machine learning. Starting from common output error formulations, similarities in update law modifications are…

Optimization and Control · Mathematics 2020-04-17 Joseph E. Gaudio , Travis E. Gibson , Anuradha M. Annaswamy , Michael A. Bolender , Eugene Lavretsky

Machine learning has enabled significant benefits in diverse fields, but, with a few exceptions, has had limited impact on computer architecture. Recent work, however, has explored broader applicability for design, optimization, and…

Hardware Architecture · Computer Science 2019-09-30 Drew D. Penney , Lizhong Chen

Machines learning techniques plays a preponderant role in dealing with massive amount of data and are employed in almost every possible domain. Building a high quality machine learning model to be deployed in production is a challenging…

Machine Learning · Computer Science 2019-07-02 Alexandre Quemy

Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…

Chemical Physics · Physics 2020-12-09 Félix Musil , Michele Ceriotti

This paper surveys the recent attempts, both from the machine learning and operations research communities, at leveraging machine learning to solve combinatorial optimization problems. Given the hard nature of these problems,…

Machine Learning · Computer Science 2020-03-16 Yoshua Bengio , Andrea Lodi , Antoine Prouvost