Maximizing information from chemical engineering data sets: Applications to machine learning

Process systems engineering – The generation next?

(2021) E N Pistikopoulos et al.   COMPUTERS & CHEMICAL ENGINEERING

ENTMOOT: A framework for optimization over ensemble tree models

(2021) Alexander Thebelt et al.   COMPUTERS & CHEMICAL ENGINEERING

Multi-objective constrained optimization for energy applications via tree ensembles

(2021) Alexander Thebelt et al.   APPLIED ENERGY

Distributionally Robust Chance Constrained Programming with Generative Adversarial Networks (GANs)

(2020) Shipu Zhao et al.   AICHE JOURNAL

Strong mixed-integer programming formulations for trained neural networks

(2020) Ross Anderson et al.   MATHEMATICAL PROGRAMMING

Supervised Extended Iterative Optimization Technology for Estimation of Powder Compositions in Pharmaceutical Applications: Method and Lifecycle Management

(2020) Salvador García Muñoz et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Simultaneous rational design of ion separation membranes and processes

(2020) Deniz Rall et al.   JOURNAL OF MEMBRANE SCIENCE

Process Control and Energy Efficiency

(2020) Jodie M. Simkoff et al.   Annual Review of Chemical and Biomolecular Engineering

Reinforcement learning for building controls: The opportunities and challenges

(2020) Zhe Wang et al.   APPLIED ENERGY

Noise level penalizing robust Gaussian process regression for NIR spectroscopy quantitative analysis

(2020) Cong Liu et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

[CPCC] Deep Learning Technique for Process Fault Detection and Diagnosis in the Presence of Incomplete Data

(2020) Cen Guo et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING

Stochastic data-driven model predictive control using gaussian processes

(2020) Eric Bradford et al.   COMPUTERS & CHEMICAL ENGINEERING

Accelerating nonlinear model predictive control through machine learning

(2020) Yannic Vaupel et al.   JOURNAL OF PROCESS CONTROL

Optimization of Tree Ensembles

(2020) Velibor V. Mišić   OPERATIONS RESEARCH

Bridging systems theory and data science: A unifying review of dynamic latent variable analytics and process monitoring

(2020) S. Joe Qin et al.   ANNUAL REVIEWS IN CONTROL

Information-theoretic sensor planning for large-scale production surveillance via deep reinforcement learning

(2020) Ashutosh Tewari et al.   COMPUTERS & CHEMICAL ENGINEERING

Overview of Surrogate Modeling in Chemical Process Engineering

(2019) Kevin McBride et al.   CHEMIE INGENIEUR TECHNIK

Optimal Demand Response Scheduling of an Industrial Air Separation Unit Using Data-Driven Dynamic Models

(2019) Calvin Tsay et al.   COMPUTERS & CHEMICAL ENGINEERING

Optimization under Uncertainty in the Era of Big Data and Deep Learning: When Machine Learning Meets Mathematical Programming

(2019) Chao Ning et al.   COMPUTERS & CHEMICAL ENGINEERING

Bringing new technologies and approaches to the operation and control of chemical process systems

(2019) James B. Rawlings et al.   AICHE JOURNAL

Gaussian kernels for incomplete data

(2019) Diego P.P. Mesquita et al.   APPLIED SOFT COMPUTING

Missing value imputation: a review and analysis of the literature (2006–2017)

(2019) Wei-Chao Lin et al.   ARTIFICIAL INTELLIGENCE REVIEW

Reinforcement Learning – Overview of Recent Progress and Implications for Process Control

(2019) Joohyun Shin et al.   COMPUTERS & CHEMICAL ENGINEERING

Data-driven monitoring of multimode continuous processes: A review

(2019) Marcos Quiñones-Grueiro et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Advances and opportunities in machine learning for process data analytics

(2019) S. Joe Qin et al.   COMPUTERS & CHEMICAL ENGINEERING

Review and Perspectives of Data-Driven Distributed Monitoring for Industrial Plant-Wide Processes

(2019) Qingchao Jiang et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

110th Anniversary: Using Data to Bridge the Time and Length Scales of Process Systems

(2019) Calvin Tsay et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Automated self-optimisation of multi-step reaction and separation processes using machine learning

(2019) Adam D. Clayton et al.   CHEMICAL ENGINEERING JOURNAL

Data Analytics and Machine Learning for Smart Process Manufacturing: Recent Advances and Perspectives in the Big Data Era

(2019) Chao Shang et al.   Engineering

Some manifold learning considerations toward explicit model predictive control

(2019) Robert J. Lovelett et al.   AICHE JOURNAL

Integrating production scheduling and process control using latent variable dynamic models

(2019) Calvin Tsay et al.   CONTROL ENGINEERING PRACTICE

Stochastic model predictive control with active uncertainty learning: A Survey on dual control

(2018) Ali Mesbah   ANNUAL REVIEWS IN CONTROL

Machine learning meets continuous flow chemistry: Automated optimization towards the Pareto front of multiple objectives

(2018) Artur M. Schweidtmann et al.   CHEMICAL ENGINEERING JOURNAL

Optimization-based design of crude oil distillation units using surrogate column models and a support vector machine

(2018) Dauda Ibrahim et al.   CHEMICAL ENGINEERING RESEARCH & DESIGN

The soft sensor of the molten steel temperature using the modified maximum entropy based pruned bootstrap feature subsets ensemble method

(2018) Xiao-Jun Wang et al.   CHEMICAL ENGINEERING SCIENCE

Rolling element bearing fault diagnosis using convolutional neural network and vibration image

(2018) Duy-Tang Hoang et al.   Cognitive Systems Research

Data-driven stochastic robust optimization: General computational framework and algorithm leveraging machine learning for optimization under uncertainty in the big data era

(2018) Chao Ning et al.   COMPUTERS & CHEMICAL ENGINEERING

A survey of optimal process design capabilities and practices in the chemical and petrochemical industries

(2018) Calvin Tsay et al.   COMPUTERS & CHEMICAL ENGINEERING

Advances in surrogate based modeling, feasibility analysis, and optimization: A review

(2018) Atharv Bhosekar et al.   COMPUTERS & CHEMICAL ENGINEERING

Collection of benchmark test problems for data reconciliation and gross error detection and identification

(2018) Edson Cordeiro do Valle et al.   COMPUTERS & CHEMICAL ENGINEERING

Machine learning: Overview of the recent progresses and implications for the process systems engineering field

(2018) Jay H. Lee et al.   COMPUTERS & CHEMICAL ENGINEERING

The impact of digitalization on the future of control and operations

(2018) Alf J. Isaksson et al.   COMPUTERS & CHEMICAL ENGINEERING

Dynamic latent variable analytics for process operations and control

(2018) Yining Dong et al.   COMPUTERS & CHEMICAL ENGINEERING

Deep neural networks and mixed integer linear optimization

(2018) Matteo Fischetti et al.   CONSTRAINTS

Bayesian Multi-Objective Optimisation with Mixed Analytical and Black-Box Functions: Application to Tissue Engineering

(2018) Simon Olofsson et al.   IEEE TRANSACTIONS ON BIOMEDICAL ENGINEERING

Efficient multiobjective optimization employing Gaussian processes, spectral sampling and a genetic algorithm

(2018) Eric Bradford et al.   JOURNAL OF GLOBAL OPTIMIZATION

Real-time algorithm for self-reflective model predictive control

(2018) Xuhui Feng et al.   JOURNAL OF PROCESS CONTROL

Structural learning in artificial neural networks using sparse optimization

(2018) Mikael Manngård et al.   NEUROCOMPUTING

Model selection for degradation modeling and prognosis with health monitoring data

(2018) Khanh T.P. Nguyen et al.   RELIABILITY ENGINEERING & SYSTEM SAFETY

Dynamic modeling and optimization of sustainable algal production with uncertainty using multivariate Gaussian processes

(2018) Eric Bradford et al.   COMPUTERS & CHEMICAL ENGINEERING

Efficient search of compositional space for hybrid organic–inorganic perovskites via Bayesian optimization

(2018) Henry C. Herbol et al.   npj Computational Materials

The promise of artificial intelligence in chemical engineering: Is it here, finally?

(2018) Venkat Venkatasubramanian   AICHE JOURNAL

Data-Driven Optimization of Processes with Degrading Equipment

(2018) Johannes Wiebe et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Resilience-Based Process Upset Event Prediction Analysis for Uncertainty Management Using Bayesian Deep Learning: Application to a Polyvinyl Chloride Process System

(2018) Prerna Jain et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Rational design of ion separation membranes

(2018) Deniz Rall et al.   JOURNAL OF MEMBRANE SCIENCE

Deterministic Global Optimization with Artificial Neural Networks Embedded

(2018) Artur M. Schweidtmann et al.   JOURNAL OF OPTIMIZATION THEORY AND APPLICATIONS

Physics-informed neural networks: A deep learning framework for solving forward and inverse problems involving nonlinear partial differential equations

(2018) M. Raissi et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Deterministic global process optimization: Accurate (single-species) properties via artificial neural networks

(2018) Artur M. Schweidtmann et al.   COMPUTERS & CHEMICAL ENGINEERING

Integrated Predictive Analytics and Optimization for Opportunistic Maintenance and Operations in Wind Farms

(2017) Murat Yildirim et al.   IEEE TRANSACTIONS ON POWER SYSTEMS

Resolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure–Property Relationships

(2017) Jon Paul Janet et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Data-driven robust optimization

(2017) Dimitris Bertsimas et al.   MATHEMATICAL PROGRAMMING

Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery

(2017) Ignacio Ponzoni et al.   Scientific Reports

A novel feasibility analysis method for black-box processes using a radial basis function adaptive sampling approach

(2016) Zilong Wang et al.   AICHE JOURNAL

A trust region filter method for glass box/black box optimization

(2016) John P. Eason et al.   AICHE JOURNAL

Demand-side management and optimal operation of industrial electricity consumers: An example of an energy-intensive chemical plant

(2016) Dionysios P. Xenos et al.   APPLIED ENERGY

Multiobjective Stochastic Optimization of Dividing-wall Distillation Columns Using a Surrogate Model Based on Neural Networks

(2016) C. Gutiérrez-Antonio   CHEMICAL AND BIOCHEMICAL ENGINEERING QUARTERLY

Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques

(2016) Nick D. Austin et al.   CHEMICAL ENGINEERING RESEARCH & DESIGN

Fault diagnosis of chemical processes with incomplete observations: A comparative study

(2016) M. Askarian et al.   COMPUTERS & CHEMICAL ENGINEERING

A discrete-time scheduling model for continuous power-intensive process networks with various power contracts

(2016) Qi Zhang et al.   COMPUTERS & CHEMICAL ENGINEERING

Global optimization advances in Mixed-Integer Nonlinear Programming, MINLP, and Constrained Derivative-Free Optimization, CDFO

(2016) Fani Boukouvala et al.   EUROPEAN JOURNAL OF OPERATIONAL RESEARCH

Optimal Process Operations in Fast-Changing Electricity Markets: Framework for Scheduling with Low-Order Dynamic Models and an Air Separation Application

(2016) Richard C. Pattison et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Communication: Understanding molecular representations in machine learning: The role of uniqueness and target similarity

(2016) Bing Huang et al.   JOURNAL OF CHEMICAL PHYSICS

Taking the Human Out of the Loop: A Review of Bayesian Optimization

(2016) Bobak Shahriari et al.   PROCEEDINGS OF THE IEEE

Feasibility and flexibility analysis of black-box processes Part 1: Surrogate-based feasibility analysis

(2015) Amanda Rogers et al.   CHEMICAL ENGINEERING SCIENCE

MPC-based dual control with online experiment design

(2015) Tor Aksel N. Heirung et al.   JOURNAL OF PROCESS CONTROL

Data-driven construction of Convex Region Surrogate models

(2015) Qi Zhang et al.   OPTIMIZATION AND ENGINEERING

Big Data of Materials Science: Critical Role of the Descriptor

(2015) Luca M. Ghiringhelli et al.   PHYSICAL REVIEW LETTERS

Data cleaning in the process industries

(2015) Shu Xu et al.   REVIEWS IN CHEMICAL ENGINEERING

Constrained particle filtering methods for state estimation of nonlinear process

(2014) Zhonggai Zhao et al.   AICHE JOURNAL

Industry 4.0

(2014) Heiner Lasi et al.   Business & Information Systems Engineering

Fault detection and diagnosis for missing data systems with a three time-slice dynamic Bayesian network approach

(2014) Zhengdao Zhang et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

PGS-COM: A hybrid method for constrained non-smooth black-box optimization problems

(2014) Emanuele Martelli et al.   COMPUTERS & CHEMICAL ENGINEERING

Evolution of concepts and models for quantifying resiliency and flexibility of chemical processes

(2014) Ignacio E. Grossmann et al.   COMPUTERS & CHEMICAL ENGINEERING

A Review on Basic Data-Driven Approaches for Industrial Process Monitoring

(2014) Shen Yin et al.   IEEE TRANSACTIONS ON INDUSTRIAL ELECTRONICS

Choosing Feature Selection and Learning Algorithms in QSAR

(2014) Martin Eklund et al.   Journal of Chemical Information and Modeling

ANTIGONE: Algorithms for coNTinuous / Integer Global Optimization of Nonlinear Equations

(2014) Ruth Misener et al.   JOURNAL OF GLOBAL OPTIMIZATION

Simultaneous design of explicit/multi-parametric constrained moving horizon estimation and robust model predictive control

(2013) Anna Voelker et al.   COMPUTERS & CHEMICAL ENGINEERING

Multi-scale optimization for process systems engineering

(2013) Lorenz T. Biegler et al.   COMPUTERS & CHEMICAL ENGINEERING

Hybrid semi-parametric modeling in process systems engineering: Past, present and future

(2013) Moritz von Stosch et al.   COMPUTERS & CHEMICAL ENGINEERING

Review of Recent Research on Data-Based Process Monitoring

(2013) Zhiqiang Ge et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Distance estimation in numerical data sets with missing values

(2013) Emil Eirola et al.   INFORMATION SCIENCES

Mixture of Gaussians for distance estimation with missing data

(2013) Emil Eirola et al.   NEUROCOMPUTING

On representing chemical environments

(2013) Albert P. Bartók et al.   PHYSICAL REVIEW B

Survey on data-driven industrial process monitoring and diagnosis

(2012) S. Joe Qin   ANNUAL REVIEWS IN CONTROL

Monitoring, fault diagnosis, fault-tolerant control and optimization: Data driven methods

(2012) John MacGregor et al.   COMPUTERS & CHEMICAL ENGINEERING

Process systems engineering tools in the pharmaceutical industry

(2012) Gregory M. Troup et al.   COMPUTERS & CHEMICAL ENGINEERING

Derivative-free optimization: a review of algorithms and comparison of software implementations

(2012) Luis Miguel Rios et al.   JOURNAL OF GLOBAL OPTIMIZATION

Moving-Horizon State Estimation for Nonlinear Systems Using Neural Networks

(2011) A Alessandri et al.   IEEE TRANSACTIONS ON NEURAL NETWORKS

Relay feedback identification for processes under drift and noisy environments

(2010) Jietae Lee et al.   AICHE JOURNAL

Surrogate-based superstructure optimization framework

(2010) Carlos A. Henao et al.   AICHE JOURNAL

The Internet of Things: A survey

(2010) Luigi Atzori et al.   Computer Networks

Computationally efficient black-box modeling for feasibility analysis

(2010) Ipsita Banerjee et al.   COMPUTERS & CHEMICAL ENGINEERING

Review of adaptation mechanisms for data-driven soft sensors

(2010) Petr Kadlec et al.   COMPUTERS & CHEMICAL ENGINEERING

Constrained Nonlinear Estimation for Industrial Process Fouling

(2010) Benjamin J. Spivey et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Fast Offset-Free Nonlinear Model Predictive Control Based on Moving Horizon Estimation

(2010) Rui Huang et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Data-driven latent-variable model-based predictive control for continuous processes

(2010) D. Laurí et al.   JOURNAL OF PROCESS CONTROL

On interval-subgradient and no-good cuts

(2010) Claudia D’Ambrosio et al.   OPERATIONS RESEARCH LETTERS

Robust fault detection for networked systems with communication delay and data missing

(2009) Xiao He et al.   AUTOMATICA

On-line multivariate statistical monitoring of batch processes using Gaussian mixture model

(2009) Tao Chen et al.   COMPUTERS & CHEMICAL ENGINEERING

A Survey on Transfer Learning

(2009) Sinno Jialin Pan et al.   IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING

Predictive Modeling for Pharmaceutical Processes Using Kriging and Response Surface

(2009) Zhenya Jia et al.   Journal of Pharmaceutical Innovation

An algorithm for the use of surrogate models in modular flowsheet optimization

(2008) José A. Caballero et al.   AICHE JOURNAL

Treatment of missing values in process data analysis

(2008) S. A. Imtiaz et al.   CANADIAN JOURNAL OF CHEMICAL ENGINEERING

Modelling and nonlinear predictive control of a yeast fermentation biochemical reactor using neural networks

(2008) Maciej Ławryńczuk   CHEMICAL ENGINEERING JOURNAL

Computer-Aided Solvent Design for Reactions: Maximizing Product Formation

(2008) Milica Folić et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Optimization of Batch Operating Policies. Part II. Incorporating Process Constraints and Industrial Applications

(2008) Salvador García-Muñoz et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

A fast moving horizon estimation algorithm based on nonlinear programming sensitivity

(2008) Victor M. Zavala et al.   JOURNAL OF PROCESS CONTROL