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Machine learning-based solubility prediction and methodology evaluation of active pharmaceutical ingredients

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 4,   Pages 523-535 doi: 10.1007/s11705-021-2083-5

Abstract: based on understanding dissolution behavior to establish two solubility prediction models by machine learningThe solubility data of 120 active pharmaceutical ingredients (APIs) in ethanol were considered in the

Keywords： solubility prediction     machine learning     artificial neural network     random decision forests    

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Active Machine Learning for Chemical Engineers: A Bright Future Lies Ahead! Perspective

Yannick Ureel, Maarten R. Dobbelaere, Yi Ouyang, Kevin De Ras, Maarten K. Sabbe, Guy B. Marin, Kevin M. Van Geem

Engineering 2023, Volume 27, Issue 8,   Pages 23-30 doi: 10.1016/j.eng.2023.02.019

Abstract:

By combining machine learning with the design of experiments, thereby achieving so-called active machinelearning, more efficient and cheaper research can be conducted.While active machine learning algorithms are maturing, their applications are falling behind.In this article, three types of challenges presented by active machine learning—namely, convincingA bright future lies ahead for active machine learning in chemical engineering, thanks to increasing

Keywords： Active machine learning     Active learning     Bayesian optimization     Chemical engineering     Design of experiments    

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Ensemble enhanced active learning mixture discriminant analysis model and its application for semi-supervised Research Article

Weijun WANG, Yun WANG, Jun WANG, Xinyun FANG, Yuchen HE

Frontiers of Information Technology & Electronic Engineering 2022, Volume 23, Issue 12,   Pages 1814-1827 doi: 10.1631/FITEE.2200053

Abstract: As an indispensable part of process monitoring, the performance of relies heavily on the sufficiency of process knowledge. However, data labels are always difficult to acquire because of the limited sampling condition or expensive laboratory analysis, which may lead to deterioration of classification performance. To handle this dilemma, a new strategy is performed in which enhanced is employed to evaluate the value of each unlabeled sample with respect to a specific labeled dataset. Unlabeled samples with large values will serve as supplementary information for the training dataset. In addition, we introduce several reasonable indexes and criteria, and thus human labeling interference is greatly reduced. Finally, the effectiveness of the proposed method is evaluated using a numerical example and the Tennessee Eastman process.

Keywords： Semi-supervised     Active learning     Ensemble learning     Mixture discriminant analysis     Fault classification    

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Interactive visual labelling versus active learning: an experimental comparison Research

Mohammad CHEGIN, Jürgen BERNARD, Jian CUI, Fatemeh CHEGINI, Alexei SOURIN, Keith Keith, Tobias SCHRECK

Frontiers of Information Technology & Electronic Engineering 2020, Volume 21, Issue 4,   Pages 524-535 doi: 10.1631/FITEE.1900549

Abstract: Active learning algorithms can automatically determine a subset of data instances for which labels wouldprovide useful input to the learning process.visualisations, similarity map, scatterplot matrix (SPLOM), and parallel coordinates, with each other and with activelearning for the purpose of labelling a multivariate dataset.The results show that all three interactive visual labelling techniques surpass active learning algorithms

Keywords： Interactive visual labelling     Active learning     Visual analytics    

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A deep Q-learning network based active object detection model with a novel training algorithm for service Research Article

Shaopeng LIU, Guohui TIAN, Yongcheng CUI, Xuyang SHAO

Frontiers of Information Technology & Electronic Engineering 2022, Volume 23, Issue 11,   Pages 1673-1683 doi: 10.1631/FITEE.2200109

Abstract: Most of the current AOD methods are based on reinforcement learning with low training efficiency and

Keywords： Active object detection     Deep Q-learning network     Training method     Service robots    

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Disturbance rejection via iterative learning controlwith a disturbance observer for active magnetic bearing None

Ze-zhi TANG, Yuan-jin YU, Zhen-hong LI, Zheng-tao DING

Frontiers of Information Technology & Electronic Engineering 2019, Volume 20, Issue 1,   Pages 131-140 doi: 10.1631/FITEE.1800558

Abstract:

Although standard iterative learning control (ILC) approaches can achieve perfect tracking for active

Keywords： Active magnetic bearings (AMBs)     Iterative learning control (ILC)     Disturbance observer    

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Automatic traceability link recovery via active learning Research Articles

Tian-bao Du, Guo-hua Shen, Zhi-qiu Huang, Yao-shen Yu, De-xiang Wu,tbdu_312@outlook.com,ghshen@nuaa.edu.cn,zqhuang@nuaa.edu.cn

Frontiers of Information Technology & Electronic Engineering 2020, Volume 21, Issue 8,   Pages 1217-1225 doi: 10.1631/FITEE.1900222

Abstract: Previous research has proposed to establish traceability links by machine learning approaches.However, current machine learning approaches cannot be well applied to projects without traceabilitydatasets and compare it with an information retrieval based approach and a state-of-the-art machine learning

Keywords： Automatic     Traceability link recovery     Manpower     Active learning    

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advanced engineering measures on displacement and stress field of surrounding rock in tunnels crossing active

Frontiers of Structural and Civil Engineering doi: 10.1007/s11709-023-0966-x

Abstract: using high-strength concrete-to resist fault dislocation in the surrounding rock near tunnels crossing activeThe research results provide a new supporting idea for the surrounding rock of tunnels crossing active

Keywords： anti-fault effect     engineering measures     LRAF method     stress and displacement field     tunnel-crossing active    

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Solid-state NMR for metal-containing zeolites: From active sites to reaction mechanism

Xingling Zhao, Jun Xu, Feng Deng

Frontiers of Chemical Science and Engineering 2020, Volume 14, Issue 2,   Pages 159-187 doi: 10.1007/s11705-019-1885-1

Abstract: To understand the nature of metal active sites and the reaction mechanism over such catalysts is of greatsummarize recent developments and applications of SSNMR for exploring the structure and property of activecatalytic reactions on metal-containing zeolites based on the observation of key surface species and active

Keywords： metal-containing zeolites     solid-state NMR     active site     host-guest interaction     reaction mechanism    

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Advances in Active Suspension Systems for Road Vehicles

Min Yu,Simos Evangelou,Daniele Dini,

Engineering doi: 10.1016/j.eng.2023.06.014

Abstract: Active suspension systems (ASSs) have been proposed and developed for a few decades, and have now onceadopted in production cars are discussed in detail, including the representative solutions of Mercedes activebody control (ABC) and Audi predictive active suspension; novel concepts that could become alternativecandidates are also introduced, including series active variable geometry suspension, and the active

Keywords： Active suspension     Vehicle dynamics     Robust control     Ride comfort     Chassis attitude    

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An antibiotic composite electrode for improving the sensitivity of electrochemically active biofilm biosensor

Frontiers of Environmental Science & Engineering 2022, Volume 16, Issue 8, doi: 10.1007/s11783-022-1518-7

Abstract:

• Antibiotic azithromycin employed in graphite electrode for EAB biosensor.

Keywords： AZM@GP composite electrode     EAB-biosensor     Water quality early-warning    

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Upper bound solution to seismic active earth pressure of submerged backfill subjected to partial drainage

Frontiers of Structural and Civil Engineering 2021, Volume 15, Issue 6,   Pages 1480-1493 doi: 10.1007/s11709-021-0776-y

Abstract: This paper proposes a general analytical method to evaluate the seismic active earth pressure on a retainingcomprises the following steps: i) determination of the total head, ii) upper bound solution of seismic active(x,z) relies on the Fourier series expansions, and the expressions of the seismic activethe proposed method is consistent with other relevant existing methods in terms of predicting seismic active

Keywords： seismic active earth pressure     partial seepage flow     pore pressure     anisotropy     upper bound theorem    

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Optimal Timing and Recycling Operation Mode for Electro-Mechanical Products Active Remanufacturing

Wang Gao,Tao Li,Shi-tong Peng,Liang Wang,Hong-chao Zhang

Frontiers of Engineering Management 2016, Volume 3, Issue 2,   Pages 115-122 doi: 10.15302/J-FEM-2016019

Abstract: Based on life cycle assessment method and the life cycle cost analysis, the optimal timing model of activeIn addition, regarding the active remanufacturing as its guidance, this study explores the economic efficiencyTo validate the optimal timing model for electro-mechanical products active remanufacturing, a specific

Keywords： electro-mechanical products     active remanufacturing     optimal timing     reverse logistics     recycling mode    

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Finite element modeling of thermo-active diaphragm walls

Yi RUI, Mei YIN

Frontiers of Structural and Civil Engineering 2020, Volume 14, Issue 3,   Pages 646-663 doi: 10.1007/s11709-020-0584-9

Abstract: Thermo-active diaphragm walls have a large potential to remedy one of these problems, since they are

Keywords： thermo-active diaphragm wall     finite element analysis     thermo-hydro-mechanical coupling     ground source heat    

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Semi-active vibration control using piezoelectric actuators in smart structures

Jinhao QIU, Hongli JI, Kongjun ZHU

Frontiers of Mechanical Engineering 2009, Volume 4, Issue 3,   Pages 242-251 doi: 10.1007/s11465-009-0068-z

Abstract: Semi-active vibration control based on state switching and pulse switching has been receiving much attentionCompared with active damping systems, their implementation does not require any sophisticated signalIn this review article, the principles of the semi-active control methods based on switched shunt circuit, including state-switched method, synchronized switch damping techniques, and active control theory-basedMoreover, the future directions of research in semi-active control are also summarized.

Keywords： smart structure     semi-active method     vibration control     piezoelectric actuator    

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Title Author Date Type Operation

Machine learning-based solubility prediction and methodology evaluation of active pharmaceutical ingredients

Journal Article

Active Machine Learning for Chemical Engineers: A Bright Future Lies Ahead!

Yannick Ureel, Maarten R. Dobbelaere, Yi Ouyang, Kevin De Ras, Maarten K. Sabbe, Guy B. Marin, Kevin M. Van Geem

Journal Article

Ensemble enhanced active learning mixture discriminant analysis model and its application for semi-supervised

Weijun WANG, Yun WANG, Jun WANG, Xinyun FANG, Yuchen HE

Journal Article

Interactive visual labelling versus active learning: an experimental comparison

Mohammad CHEGIN, Jürgen BERNARD, Jian CUI, Fatemeh CHEGINI, Alexei SOURIN, Keith Keith, Tobias SCHRECK

Journal Article

A deep Q-learning network based active object detection model with a novel training algorithm for service

Shaopeng LIU, Guohui TIAN, Yongcheng CUI, Xuyang SHAO

Journal Article

Disturbance rejection via iterative learning controlwith a disturbance observer for active magnetic bearing

Ze-zhi TANG, Yuan-jin YU, Zhen-hong LI, Zheng-tao DING

Journal Article

Automatic traceability link recovery via active learning

Tian-bao Du, Guo-hua Shen, Zhi-qiu Huang, Yao-shen Yu, De-xiang Wu,tbdu_312@outlook.com,ghshen@nuaa.edu.cn,zqhuang@nuaa.edu.cn

Journal Article

advanced engineering measures on displacement and stress field of surrounding rock in tunnels crossing active

Journal Article

Solid-state NMR for metal-containing zeolites: From active sites to reaction mechanism

Xingling Zhao, Jun Xu, Feng Deng

Journal Article

Advances in Active Suspension Systems for Road Vehicles

Min Yu,Simos Evangelou,Daniele Dini,

Journal Article

An antibiotic composite electrode for improving the sensitivity of electrochemically active biofilm biosensor

Journal Article

Upper bound solution to seismic active earth pressure of submerged backfill subjected to partial drainage

Journal Article

Optimal Timing and Recycling Operation Mode for Electro-Mechanical Products Active Remanufacturing

Wang Gao,Tao Li,Shi-tong Peng,Liang Wang,Hong-chao Zhang

Journal Article

Finite element modeling of thermo-active diaphragm walls

Yi RUI, Mei YIN

Journal Article

Semi-active vibration control using piezoelectric actuators in smart structures

Jinhao QIU, Hongli JI, Kongjun ZHU

Journal Article