Faculty Database - KANEKO Hiromasa

Books and Papers

Conference Presentations

Academic Qualifications

Major Subjects

Social Activities

Research Topics, Consignment Studies & KAKENHI Researches

Web Sites

KAKENHI Researcher Number

（Last updated : 2020-08-08 06:58:23）

KANEKO Hiromasa
Department Undergraduate School , School of Science and Technology

Position Associate Professor

■ Books and Papers

1.	2020/08	Article	Ensemble Just-in-time Model Based on Gaussian Process Dynamical Models for Nonlinear and Dynamic Processes, Chemometrics and Intelligent Laboratory Systems (Collaboration)
2.	2020	Article	Porous Self-Assembled Molecular Networks as Templates for Chiral Position-Controlled Chemical Functionalization of Graphitic Surfaces Journal of the American Chemical Society 142(16),pp.7699-7708 (Collaboration)
3.	2019/08	Article	Improvement of Predictive Accuracy in Semi-Supervised Regression Analysis by Selecting Unlabeled Chemical Structures Chemometrics and Intelligent Laboratory Systems (Collaboration)
4.	2019/07	Article	Estimation of Predictive Performance for Test Data in Applicability Domains Using y-randomization Journal of Chemometrics (Single)
5.	2018	Article	Automatic Outlier Sample Detection Based on Regression Analysis and Repeated Ensemble Learning Chemometrics and Intelligent Laboratory Systems 177,pp.74-82 (Single)
6.	2018	Article	Beware of r2 even for Test Datasets: Using the Latest Measured y-values (r2LM) in Time Series Data Analysis Journal of Chemometrics (Single)
7.	2018	Article	Data Visualization, Regression, Applicability Domains and Inverse Analysis Based on Generative Topographic Mapping Molecular Informatics (Single)
8.	2018	Article	Discussion on Regression Methods Based on Ensemble Learning and Applicability Domains of Linear Sub-Models Journal of Chemical Information and Modeling 58(2),pp.480-489 (Single)
9.	2018	Article	Formulation of the Excess Absorption in Infrared Spectra by Numerical Decomposition for Effective Process Monitoring Computers & Chemical Engineering 113,pp.86-97 (Collaboration)
10.	2018	Article	Illustration of Merits of Semi-supervised Learning in Regression Analysis Chemometrics and Intelligent Laboratory Systems 182,pp.47-56 (Single)
11.	2018	Article	K-Nearest Neighbor Normalized Error for Visualization and Reconstruction - A New Measure for Data Visualization Performance Chemometrics and Intelligent Laboratory Systems 176,pp.22-33 (Single)
12.	2018	Article	Selective Use of Adaptive Models Considering the Prediction Efficiencies Industrial & Engineering Chemistry Research 57,pp.14286-14296 (Collaboration)
13.	2018	Article	Sparse Generative Topographic Mapping for Both Data Visualization and Clustering Journal of Chemical Information and Modeling (Single)
14.	2017	Article	A New Measure of Regression Model Accuracy that Considers Applicability Domains Chemometrics and Intelligent Laboratory Systems 171,pp.1-8 (Single)
15.	2017	Article	Applicability Domains and Consistent Structure Generation. Molecular Informatics 36(1-2),pp.1600032 (Collaboration)
16.	2017	Article	Detection of Nonlinearity in Soil Properties Prediction Models Based on Near-infrared Spectroscopy. Chemometrics and Intelligent Laboratory Systems 167,pp.139-151 (Collaboration)
17.	2017	Article	Improvement of Process State Recognition Performance by Noise Reduction with Smoothing Methods. Journal of Chemical Engineering of Japan 50(6),pp.422-429 (Collaboration)
18.	2017	Article	Novel Method Proposing Chemical Structures with Desirable Profile of Activities Based on Chemical and Protein Spaces Molecular Informatics 36(12),pp.1700075 (Collaboration)
19.	2017	Article	On Generative Topographic Mapping and Graph Theory Combined Approach for Unsupervised Non-linear Data Visualization and Fault Identification Computers & Chemical Engineering 98,pp.113-127 (Collaboration)
20.	2016	Book	Data Visualization & Clustering: Generative Topographic Mapping Similarity Assessment Allied to Graph Theory Clustering. Frontiers in Molecular Design and Chemical Information Science - Herman Skolnik Award Symposium 2015 pp.175-210 (Collaboration)
21.	2016	Book	Soft Sensors: Chemoinformatic Model for Efficient Control and Operation in Chemical Plants. Frontiers in Molecular Design and Chemical Information Science - Herman Skolnik Award Symposium 2015: Jürgen Bajorath. pp.159-174 (Collaboration)
22.	2016	Article	A Novel Calibration-Minimum Method for Prediction of Mole Fraction in Non-Ideal Mixture. AAPS PharmSciTech pp.1-10 (Collaboration)
23.	2016	Article	Chemical-space-based De Novo Design Method to Generate Drug-like Molecules. Journal of Chemical Information and Modeling 56(10),pp.1885-1893 (Collaboration)
24.	2016	Article	Development of an Adaptive Experimental Design Method Based on Probability of Achieving a Target Range through Parallel Experiments. Industrial & Engineering Chemistry Research 55(19),pp.5726-5735 (Collaboration)
25.	2016	Article	Ensemble Locally-weighted Partial Least Squares as a Just-in-time Modeling Method. AIChE Journal 62(3),pp.717-725 (Collaboration)
26.	2016	Article	Inverse QSPR/QSAR Analysis for Chemical Structure Generation (from y to x). Journal of Chemical Information and Modeling 56(2),pp.286-299 (Collaboration)
27.	2016	Article	Iterative Optimization Technology Combined with Wavelength Selection Based on Excess Absorption for a Process Analytical Technology Calibration-Minimum Approach. Chemometrics and Intelligent Laboratory Systems 156(1),pp.137-147 (Collaboration)
28.	2016	Article	On Generative Topographic Mapping and Graph Theory Combined Approach for Unsupervised Non-linear Data Visualization and Fault Identification. Computers & Chemical Engineering 98,pp.113-127 (Collaboration)
29.	2016	Article	Preparation of Comprehensive Data from Huge Data Sets for Predictive Soft Sensors. Chemometrics and Intelligent Laboratory Systems 153(1),pp.75-81 (Collaboration)
30.	2016	Article	Ring System-based Chemical Graph Generation for de novo Molecular Design. Journal of Computer-Aided Molecular Design 30(5),pp.425-446 (Collaboration)
31.	2015	Article	A Mini-review on Chemoinformatics Approaches for Drug Discovery. Journal of Computer Aided Chemistry 16(1),pp.15-29 (Collaboration)
32.	2015	Article	Adaptive Database Management Based on the Database Monitoring Index for Long-term Use of Adaptive Soft Sensors. Chemometrics and Intelligent Laboratory Systems 146(1),pp.179-185 (Collaboration)
33.	2015	Article	Adaptive Model and Model Selection for Long-term Transmembrane Pressure Prediction in Membrane Bioreactors. Journal of Membrane Science 494(1),pp.86-91 (Collaboration)
34.	2015	Article	Classification of Drug Tablets Using Hyperspectral Imaging and Wavelength Selection with a GAWLS Method Modified for Classification. International Journal of Pharmaceutics 491(1-2),pp.130-135 (Collaboration)
35.	2015	Article	Combined Generative Topographic Mapping and Graph Theory Unsupervised Approach for Non-linear Fault Identification. AIChE Journal 61(5),pp.1559-1571 (Collaboration)
36.	2015	Article	Data Density-Based Fault Detection and Diagnosis with Nonlinearities between Variables and Multimodal Data Distributions. Chemometrics and Intelligent Laboratory Systems 147(1),pp.58-65 (Collaboration)
37.	2015	Article	Fast Optimization of Hyperparameters for Support Vector Regression Models with Highly Predictive Ability. Chemometrics and Intelligent Laboratory Systems 142(1),pp.64-69 (Collaboration)
38.	2015	Article	Improvement of Iterative Optimization Technology (for Process Analytical Technology Calibration-Free/ Minimum Approach) with Dimensionality Reduction and Wavelength Selection of Spectra. Chemometrics and Intelligent Laboratory Systems 147(1),pp.176-184 (Collaboration)
39.	2015	Article	Moving Window and Just-In-Time Soft Sensor Model Based on Time Differences Considering a Small Number of Measurements. Industrial & Engineering Chemistry Research 54(2),pp.700-704 (Collaboration)
40.	2015	Article	Smoothing-combined Soft Sensors for Noise Reduction and Improvement of Predictive Ability. Industrial & Engineering Chemistry Research 54(50),pp.12630-12638 (Collaboration)
41.	2015	Article	Strategy of Structure Generation within Applicability Domains with One-Class Support Vector Machine. Bulletin of the Chemical Society of Japan 88(7),pp.981-988 (Collaboration)
42.	2014	Article	Adaptive Soft Sensor Based on Online Support Vector Regression and Bayesian Ensemble Learning for Various States in Chemical Plants. Chemometrics and Intelligent Laboratory Systems 137(1),pp.57-66 (Collaboration)
43.	2014	Article	Analysis of a Transmembrane Pressure (TMP) Jump Prediction Model for Preventing TMP Jumps. Desalination and Water Treatment 53(1),pp.1-6 (Collaboration)
44.	2014	Article	Applicability Domain Based on Ensemble Learning in Classification and Regression Analyses. Journal of Chemical Information and Modeling 54(9),pp.2469-2482 (Collaboration)
45.	2014	Article	Application of Online Support Vector Regression for Soft Sensors. AIChE Journal 60(2),pp.600-612 (Collaboration)
46.	2014	Article	Database Monitoring Index for Adaptive Soft Sensors and the Application to Industrial Process. AIChE Journal 60(1),pp.160-169 (Collaboration)
47.	2014	Article	Development of a New de Novo Design Algorithm for Exploring Chemical Space. Molecular Informatics 33(11-12),pp.779-789 (Collaboration)
48.	2014	Article	Flour Concentration Prediction Using GAPLS and GAWLS Focused on Data Sampling Issues and Applicability Domain. Chemometrics and Intelligent Laboratory Systems 137(1),pp.33-46 (Collaboration)
49.	2014	Article	Model for Predicting Transmembrane Pressure Jump for Various Membrane Bioreactors. Desalination and Water Treatment 52(1),pp.1-11 (Collaboration)
50.	2014	Article	Multivariate Statistical Process Control Method Including Soft Sensors for Both Early and Accurate Fault Detection. Industrial & Engineering Chemistry Research 53(20),pp.8533-8564 (Collaboration)
51.	2014	Article	Ring-System-Based Exhaustive Structure Generation for Inverse-QSPR/QSAR. Molecular Informatics 33(11-12),pp.764-778 (Collaboration)
52.	2014	Article	Selective Use of Adaptive Soft Sensors Based on Process State. Industrial & Engineering Chemistry Research 53(41),pp.15962-15968 (Collaboration)
53.	2013	Article	A Chemometric Approach to Prediction of Transmembrane Pressure in Membrane Bioreactors. Chemometrics and Intelligent Laboratory Systems 126(1),pp.30-37 (Collaboration)
54.	2013	Article	Adaptive Soft Sensor Model Using Online Support Vector Regression with the Time Variable and Discussion on Appropriate Hyperparameters and Window Size. Computers & Chemical Engineering 58(1),pp.288-297 (Collaboration)
55.	2013	Article	Applicability Domain of Soft Sensor Models Based on One-Class Support Vector Machine. AIChE Journal 59(6),pp.2046-2050 (Collaboration)
56.	2013	Article	Automatic Determination Method Based on Cross-validation for Optimal Intervals of Time Difference. Journal of Chemical Engineering of Japan 46(3),pp.1-7 (Collaboration)
57.	2013	Article	Classification of the Degradation of Soft Sensor Models and Discussion on Adaptive Models. AIChE Journal 59(7),pp.2339-2347 (Collaboration)
58.	2013	Article	Criterion for Evaluating the Predictive Ability of Nonlinear Regression Models without Cross-Validation. Journal of Chemical Information and Modeling 53(9),pp.2341-2348 (Collaboration)
59.	2013	Article	Discussion on Time Difference Models and Intervals of Time Difference for Application of Soft Sensors. Industrial & Engineering Chemistry Research 52(3),pp.1322-1334 (Collaboration)
60.	2013	Article	Effects of Experimental Method on Aggregation State and Thermal Conductivity of Carbon-nanotube-based Fluids. International Journal of Thermophysics 34(7),pp.1308-1324 (Collaboration)
61.	2013	Article	Estimation of Predictive Accuracy of Soft Sensor Models Based on Data Density. Chemometrics and Intelligent Laboratory Systems 128(1),pp.111-117 (Collaboration)
62.	2013	Article	Nonlinear Regression Method with Variable Region Selection and Application to Soft Sensors. Chemometrics and Intelligent Laboratory Systems 121(1),pp.26-32 (Collaboration)
63.	2013	Article	Physical and Statistical Model for Predicting a Transmembrane Pressure Jump for a Membrane Bioreactor. Chemometrics and Intelligent Laboratory Systems 121(1),pp.66-74 (Collaboration)
64.	2013	Article	Strategic Parameter Search Method Based on Prediction Errors and Data Density for Efficient Product Design. 127(1),pp.70-79 (Collaboration)
65.	2012	Article	A New Process Variable and Dynamics Selection Method Based on a Genetic Algorithm-based Wavelength Selection Method. AIChE Journal 58(6),pp.1829-1840 (Collaboration)
66.	2012	Article	Statistical Approach to Constructing Predictive Models for Thermal Resistance Based on Operating Conditions. Industrial & Engineering Chemistry Research, 51(29),pp.9906-9912 (Collaboration)
67.	2012	Article	Visualization of Models Predicting Transmembrane Pressure Jump for Membrane Bioreactor. Industrial & Engineering Chemistry Research 51(28),pp.9679-9686 (Collaboration)
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■ Conference Presentations

1.	2018/03/10	Measure of Regression Model Accuracy for Quantitative Structure-Activity(Property) Relationship Considering Applicability Domains (International Congress on Pure & Applied Chemistry (ICPAC))
2.	2017/10/15	Process Design and Process Control Based on Statistical Analysis and Machine Learning Using Big Data (The 8th China-Japan Symposium on Chemical Engineering)
3.	2016/11/17	Visualization of chemical space and protein space considering compound-protein interaction
4.	2016/09/30	Generative Topographic Mapping Visualization Performance Allied to Root Mean Square Error of Midpoints among Nearest Neighbors
5.	2016/07/27	Improvement of Process State Recognition Performance by Noise Reduction. (PSE ASIA 2016)
6.	2016/07/26	Generative Topographic Mapping Similarity Index Applied for Fault Detection in Chemical Plants. (PSE ASIA 2016)
7.	2016/07/25	Development of a New Process Control Method for MIMO Process Based on Soft Sensors and Inverse Analysis. (PSE ASIA 2016)
8.	2016/06/06	Practical Use of Savitzky-Golay Filtering-Based Ensemble Online SVR. (DYCOPS-CAB2016)
9.	2016/03/17	Generative Topographic Mapping Similarity Assessment for Anomaly Detection in Chemical Plants. (The 6th French-Japanese Workshop on Computational Methods in Chemistry)
10.	2016/03/17	Partial Derivative of Data Density Estimation Model for Structure Generation and Fault Diagnosis. (The 6th French-Japanese Workshop on Computational Methods in Chemistry)
11.	2016/03/16	Molecular Structure Generation Algorithm for Inverse QSPR/QSAR. (The 6th French-Japanese Workshop on Computational Methods in Chemistry.)
12.	2015/12/18	Strategy of Structure Generation within Applicability Domains. (PACIFICHEM 2015)
13.	2015/11/09	Ensemble Locally-weighted Partial Least Squares Model and Its Application to Industrial Plants. (2015 AIChE Annual Meeting)
14.	2015/09/28	Noise Reduction of Operating Date Using Savizky-Golay Filters for Soft Sensors. (The 16th Asia Pacific Confederation of Chemical Engineering Congress.)
15.	2015/06/02	Selection of Comprehensive Data from a Large Amount of Data using a Genetic Algorithm. (PSE2015/ESCAPE25)
16.	2015/03/21	Generative topographic mapping and graph theory combined approach for non-linear fault identification and diagnosis
17.	2015/01/31	Application of Ensemble Online Support Vector Regression to the Prediction of Fouling in Membrane Bioreactors. (3W Expo 2015 + CPPE Expo 2015)
18.	2015/01/31	The development of widely applied long-term transmembrane pressure prediction model for membrane bioreactors. (3W Expo 2015 + CPPE Expo 2015)
19.	2014/11/19	Improvement of Iterative Optimization Technology (Calibration-Free/ Minimum Approach) with Dimensionality Reduction of Spectra. (2014 AIChE Annual Meeting)
20.	2014/11/17	Process Control Method Based on the Inverse Analysis of Soft Sensors Considering Controllability. (2014 AIChE Annual Meeting)
21.	2014/09/11	Fast Optimization of Hyperparameters of Support Vector Regression Model Considering its Predictive Ability. (4th International Conference on Engineering Optimization(EngOpt2014))
22.	2014/09/10	Development of an adaptive experimental design method based on probabilities to achieve requirements and quantity of information on next experiments. (EngOpt2014)
23.	2014/06/30	Efficient molecular structure enumeration algorithm for inverse-QSPR/QSAR. (The 5th French-Japanese Workshop on Computational Methods in Chemistry)
24.	2014/06/30	Semi-supervised learning state discrimination and regression modeling for dynamic data. (The 5th French-Japanese Workshop on Computational Methods in Chemistry)
25.	2014/06/05	Virtual Sensors Predicting Drug Product Quality with Chemoinformatic Techniques. (JCUP V)
26.	2014/06/04	Automatic Database Monitoring for Process Control Systems. (The 27th International Conference on Industrial, Engineering and Other Applications of Applied Intelligent Systems (IEA-AIE2014).)
27.	2014/06	Adaptive regression model for nonlinear and time-varying systems. (The 5th French-Japanese Workshop on Computational Methods in Chemistry.)
28.	2014/05	Analysis of a Transmembrane Pressure (TMP) Jump Prediction Model for Preventing TMP Jumps. (DESALINATION, FOR THE ENVIRONMENT)
29.	2014/03	GTM, GMM and SSPCR combined approach applied for semi-supervised state recognition
30.	2014/02	Prediction models of transmembrane pressure (TMP) and timing of TMP jumps for efficient fouling control in distributed MBR systems. (MBR for the Next Generation and Waste-to-Energy Conversion.)
31.	2013/11	Adaptive Soft Sensor Model Using Online Support Vector Regression and the Time Variable. (2013 AIChE Annual Meeting)
32.	2013/11	GTM Semi-supervised Approach for State Recognition in Dynamic Data. (2013 AIChE Annual Meeting)
33.	2013/09	Adaptive Soft Sensor Model Using Online Support Vector Regression with the Time Variable and Discussion on Appropriate Parameter Settings. (17th International Conference in Knowledge Based and Intelligent Information and Engineering Systems - KES2013)
34.	2013/09	Model for Predicting Transmembrane Pressure Jump for Various Membrane Bioreactors. (Engineering with Membranes Towards a Sustainable Future - EWM2013)
35.	2013/08	High Predictive Soft Sensors Based on Time Difference (TD) Models and the Selection of Optimal TD Intervals. (9th World Congress of Chemical Engineering)
36.	2013/06	Physical and Statistical Model of Transmembrane Pressure Jump and Visualization of the Model. (The 6th International Conference on Process Systems Engineering (PSE ASIA).)
37.	2013/03/24	Virtual sensors with chemoinformatic techniques (Asian International Symposium-Theoretical Chemistry,Chemoinformatics, Computational Chemistry-in the 93th CSJ Annual Meeting.)
38.	2012/11	Discussion on Time Difference Models for Application of Soft Sensors. (19th Regional Symposium on Chemical Engineering (RSCE2012).)
39.	2012/10	Soft Sensor Models Based On a Process Variable and Dynamics Selection Method and Support Vector Regression. (AIChE 2012 Annual Meeting)
40.	2012/10	Strategic Search for Experimental Conditions for Efficient Product Design. (AIChE 2012 Annual Meeting)
41.	2012/09	Prediction Model of Transmembrane Pressure Jump for Membrane Bioreactor Using Physical and Statistical Approaches. (Euromembrane 2012)
42.	2012/07	Estimation of Predictive Accuracy of Soft Sensor Models Based on One-Class Support Vector Machine (The 11th International Symposium on Process Systems Engineering.)
43.	2012/04/03	A Statistical Approach to Prediction of Transmembrane Pressure in Membrane Bioreactors. (AIChE 2012 Spring Meeting)
44.	2012/03/06	Soft Sensors Supporting Efficient Plant Operations with Chemoinformatic Techniques (The 4th French-Japanese Workshop on Computational Methods in Chemistry)
45.	2012/03	Strategic Parameter Search Method for Efficient Experimental Design. (The 4th French-Japan Workshop on Computational Methods in Chemistry 2012)
46.	2012/02/22	Development of New Soft Sensor Methods for Selecting Process Variables with Consideration of Process Dynamics (The 13th Asia Pacific Confederation of Chemical Engineering Congress)
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■ Academic Qualifications

2009/04～2011/09

〔Doctorial Course〕 Department of Chemical System Engineering, Graduate School, Division of Engineering, The University of Tokyo, Completed,

■ Social Activities

2015/01～

PSE Asia 2016 National Organization Committee

■ Research Topics, Consignment Studies & KAKENHI Researches

2019/04～2023/03

Research on inverse analysis and scientific interpretation of property prediction models (Key Word : )

■ Web Sites

Data Chemical Engineering Laboratory at Meiji University

■ KAKENHI Researcher Number

00625171