On acoustic prediction models for the intrinsic parameters of rigid-frame porous media using Bayesian optimization

2020 ◽  
Vol 148 (4) ◽  
pp. 2603-2604
Author(s):  
Kirill V. Horoshenkov ◽  
Ning Xiang ◽  
Alistair Hurrell
Keyword(s):  
Porous Media ◽  
Prediction Models ◽  
Bayesian Optimization ◽  
Intrinsic Parameters ◽  
Rigid Frame

scholarly journals Benchmarks for microstructure-based modelling of sound absorbing rigid-frame porous media

2020 ◽  
Vol 483 ◽  
pp. 115441 ◽  
Author(s):  
Tomasz G. Zieliński ◽  
Rodolfo Venegas ◽  
Camille Perrot ◽  
Milan Červenka ◽  
Fabien Chevillotte ◽  
...  
Keyword(s):  
Porous Media ◽  
Rigid Frame

Reproducibility experiments on measuring acoustical properties of rigid-frame porous media (round-robin tests)

2007 ◽  
Vol 122 (1) ◽  
pp. 345-353 ◽  
Author(s):  
Kirill V. Horoshenkov ◽  
Amir Khan ◽  
François-Xavier Bécot ◽  
Luc Jaouen ◽  
Franck Sgard ◽  
...  
Keyword(s):  
Porous Media ◽  
Round Robin ◽  
Acoustical Properties ◽  
Rigid Frame

scholarly journals kGCN: A Graph-Based Deep Learning Framework for Chemical Structures

2020 ◽  
Author(s):  
Ryosuke Kojima ◽  
Shoichi Ishida ◽  
Masateru Ohta ◽  
Hiroaki Iwata ◽  
Teruki Honma ◽  
...  
Keyword(s):  
Deep Learning ◽  
Prediction Model ◽  
Prediction Models ◽  
Bayesian Optimization ◽  
Factors Affecting ◽  
Learning Framework ◽  
Chemical Structures ◽  
Programming Skills ◽  
Model Tuning ◽  
Interpretation Of Results

<div>Deep learning is developing as an important technology to perform various tasks in cheminformatics. In particular, graph convolutional neural networks (GCNs) have been reported to perform well in many types of prediction tasks related to molecules. Although GCN exhibits considerable potential in various applications, appropriate utilization of this resource for obtaining reasonable and reliable prediction results requires thorough understanding of GCN and programming. To leverage the power of GCN to benefit various users from chemists to cheminformaticians, an open-source GCN tool, kGCN, is introduced. To support the users with various levels of programming skills, kGCN includes three interfaces: a graphical user interface (GUI) employing KNIME for users with limited programming skills such as chemists, as well as command-line and Python library interfaces for users with advanced programming skills such as cheminformaticians. To support the three steps required for building a prediction model, i.e., pre-processing, model tuning, and interpretation of results, kGCN includes functions of typical pre-processing, Bayesian optimization for automatic model tuning, and visualization of the atomic contribution to prediction for interpretation of results. kGCN supports three types of approaches, single-task, multi-task, and multimodal predictions. The prediction of compound-protein interaction for four matrixmetalloproteases, MMP-3, -9, -12 and -13, in the inhibition assays is performed as a representative case study using kGCN. Additionally, kGCN provides the visualization of atomic contributions to the prediction. Such visualization is useful for the validation of the prediction models and the design of molecules based on the prediction model, realizing “explainable AI” for understanding the factors affecting AI prediction. kGCN is available at https://github.com/clinfo/kGCN.</div>

Prediction of Pathologic Complete Response to Neoadjuvant Chemotherapy Using Machine Learning Models in Patients with Breast Cancer

2021 ◽  
Author(s):  
Ji-Yeon Kim ◽  
Eunjoo Jeon ◽  
Soonhwan Kwon ◽  
Hyungsik Jung ◽  
Sunghoon Joo ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Machine Learning ◽  
Neoadjuvant Chemotherapy ◽  
Prediction Model ◽  
Prediction Models ◽  
Locally Advanced ◽  
Pathologic Complete Response ◽  
Complete Response ◽  
Bayesian Optimization ◽  
Pathological Characteristics

Abstract BackgroundThe aim of this study was to develop a machine learning(ML) based model to accurately predict pathologic complete response(pCR) to neoadjuvant chemotherapy(NAC) using pretreatment clinical and pathological characteristics of electronic medical record(EMR) data in breast cancer(BC).Methods The EMR data from patients diagnosed with early and locally advanced BC and who received NAC followed by curative surgery were reviewed. A total of 16 clinical and pathological characteristics was selected to develop ML model. We practiced six ML models using default settings for multivariate analysis with extracted variables. ResultsIn total, 2,065 patients were included in this analysis. Overall, 30.6% (n=632) of patients achieved pCR. Among six ML models, the LightGBM had the highest area under the curve (AUC) for pCR prediction. After hyper-parameter tuning with Bayesian optimization, AUC was 0.810. Performance of pCR prediction models in different histology-based subtypes was compared. The AUC was highest in HR+HER2- subgroup and lowest in HR-/HER2- subgroup (HR+/HER2- 0.841, HR+/HER2+ 0.716, HR-/HER2 0.753, HR-/HER2- 0.653).ConclusionsA ML based pCR prediction model using pre-treatment clinical and pathological characteristics provided useful information to predict pCR during NAC. This prediction model would help to determine treatment strategy in patients with BC planned NAC.

Time-domain equations for sound propagation in rigid-frame porous media (L)

2004 ◽  
Vol 116 (4) ◽  
pp. 1889-1892 ◽  
Author(s):  
D. Keith Wilson ◽  
Vladimir E. Ostashev ◽  
Sandra L. Collier
Keyword(s):  
Porous Media ◽  
Time Domain ◽  
Sound Propagation ◽  
Rigid Frame

scholarly journals kGCN: A Graph-Based Deep Learning Framework for Chemical Structures

2020 ◽  
Author(s):  
Ryosuke Kojima ◽  
Shoichi Ishida ◽  
Masateru Ohta ◽  
Hiroaki Iwata ◽  
Teruki Honma ◽  
...  
Keyword(s):  
Deep Learning ◽  
Prediction Model ◽  
Prediction Models ◽  
Bayesian Optimization ◽  
Factors Affecting ◽  
Learning Framework ◽  
Chemical Structures ◽  
Programming Skills ◽  
Model Tuning ◽  
Interpretation Of Results

<div>Deep learning is developing as an important technology to perform various tasks in cheminformatics. In particular, graph convolutional neural networks (GCNs) have been reported to perform well in many types of prediction tasks related to molecules. Although GCN exhibits considerable potential in various applications, appropriate utilization of this resource for obtaining reasonable and reliable prediction results requires thorough understanding of GCN and programming. To leverage the power of GCN to benefit various users from chemists to cheminformaticians, an open-source GCN tool, kGCN, is introduced. To support the users with various levels of programming skills, kGCN includes three interfaces: a graphical user interface (GUI) employing KNIME for users with limited programming skills such as chemists, as well as command-line and Python library interfaces for users with advanced programming skills such as cheminformaticians. To support the three steps required for building a prediction model, i.e., pre-processing, model tuning, and interpretation of results, kGCN includes functions of typical pre-processing, Bayesian optimization for automatic model tuning, and visualization of the atomic contribution to prediction for interpretation of results. kGCN supports three types of approaches, single-task, multi-task, and multimodal predictions. The prediction of compound-protein interaction for four matrixmetalloproteases, MMP-3, -9, -12 and -13, in the inhibition assays is performed as a representative case study using kGCN. Additionally, kGCN provides the visualization of atomic contributions to the prediction. Such visualization is useful for the validation of the prediction models and the design of molecules based on the prediction model, realizing “explainable AI” for understanding the factors affecting AI prediction. kGCN is available at https://github.com/clinfo/kGCN.</div>

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