Supervised and Unsupervised Machine Learning Approach in Facies Prediction

2020 ◽  
Author(s):  
Daniel Oluwadara Fadokun ◽  
Ishioma Bridget Oshilike ◽  
Mike Obi Onyekonwu
Keyword(s):  
Machine Learning ◽  
Learning Approach ◽  
Unsupervised Machine Learning ◽  
Machine Learning Approach

Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition

2017 ◽  
Author(s):  
Sabrina Jaeger ◽  
Simone Fulle ◽  
Samo Turk
Keyword(s):  
Machine Learning ◽  
Language Processing ◽  
Supervised Machine Learning ◽  
Learning Approach ◽  
Learning Approaches ◽  
Unsupervised Machine Learning ◽  
Feature Representations ◽  
Machine Learning Approach ◽  
The Individual ◽  
Vector Representations

Inspired by natural language processing techniques we here introduce Mol2vec which is an unsupervised machine learning approach to learn vector representations of molecular substructures. Similarly, to the Word2vec models where vectors of closely related words are in close proximity in the vector space, Mol2vec learns vector representations of molecular substructures that are pointing in similar directions for chemically related substructures. Compounds can finally be encoded as vectors by summing up vectors of the individual substructures and, for instance, feed into supervised machine learning approaches to predict compound properties. The underlying substructure vector embeddings are obtained by training an unsupervised machine learning approach on a so-called corpus of compounds that consists of all available chemical matter. The resulting Mol2vec model is pre-trained once, yields dense vector representations and overcomes drawbacks of common compound feature representations such as sparseness and bit collisions. The prediction capabilities are demonstrated on several compound property and bioactivity data sets and compared with results obtained for Morgan fingerprints as reference compound representation. Mol2vec can be easily combined with ProtVec, which employs the same Word2vec concept on protein sequences, resulting in a proteochemometric approach that is alignment independent and can be thus also easily used for proteins with low sequence similarities.

scholarly journals 180 The role of social constructs in placental insufficiency outcomes: an unsupervised machine learning approach

2021 ◽  
Vol 224 (2) ◽  
pp. S121-S122
Author(s):  
Ramamurthy Siripuram ◽  
Nathan R. Blue ◽  
Robert M. Silver ◽  
William A. Grobman ◽  
Uma M. Reddy ◽  
...  
Keyword(s):  
Machine Learning ◽  
Placental Insufficiency ◽  
Learning Approach ◽  
Social Constructs ◽  
Unsupervised Machine Learning ◽  
Machine Learning Approach

scholarly journals Radiomics: a new tool to differentiate adrenocortical adenoma from carcinoma

BJS Open ◽  
2021 ◽  
Vol 5 (1) ◽  
Author(s):  
F Torresan ◽  
F Crimì ◽  
F Ceccato ◽  
F Zavan ◽  
M Barbot ◽  
...  
Keyword(s):  
Machine Learning ◽  
Imaging Techniques ◽  
Second Order ◽  
Learning Approach ◽  
Adrenocortical Adenoma ◽  
Unsupervised Machine Learning ◽  
First Order ◽  
Main Challenge ◽  
Machine Learning Approach ◽  
Adrenocortical Tumours

Abstract Background The main challenge in the management of indeterminate incidentally discovered adrenal tumours is to differentiate benign from malignant lesions. In the absence of clear signs of invasion or metastases, imaging techniques do not always precisely define the nature of the mass. The present pilot study aimed to determine whether radiomics may predict malignancy in adrenocortical tumours. Methods CT images in unenhanced, arterial, and venous phases from 19 patients who had undergone resection of adrenocortical tumours and a cohort who had undergone surveillance for at least 5 years for incidentalomas were reviewed. A volume of interest was drawn for each lesion using dedicated software, and, for each phase, first-order (histogram) and second-order (grey-level colour matrix and run-length matrix) radiological features were extracted. Data were revised by an unsupervised machine learning approach using the K-means clustering technique. Results Of operated patients, nine had non-functional adenoma and 10 carcinoma. There were 11 patients in the surveillance group. Two first-order features in unenhanced CT and one in arterial CT, and 14 second-order parameters in unenhanced and venous CT and 10 second-order features in arterial CT, were able to differentiate adrenocortical carcinoma from adenoma (P < 0.050). After excluding two malignant outliers, the unsupervised machine learning approach correctly predicted malignancy in seven of eight adrenocortical carcinomas in all phases. Conclusion Radiomics with CT texture analysis was able to discriminate malignant from benign adrenocortical tumours, even by an unsupervised machine learning approach, in nearly all patients.

Modeling of Human Cytochrome P450-Mediated Drug Metabolism Using Unsupervised Machine Learning Approach

2003 ◽  
Vol 46 (17) ◽  
pp. 3631-3643 ◽  
Author(s):  
Dmitry Korolev ◽  
Konstantin V. Balakin ◽  
Yuri Nikolsky ◽  
Eugene Kirillov ◽  
Yan A. Ivanenkov ◽  
...  
Keyword(s):  
Machine Learning ◽  
Cytochrome P450 ◽  
Drug Metabolism ◽  
Learning Approach ◽  
Unsupervised Machine Learning ◽  
Human Cytochrome ◽  
Machine Learning Approach

scholarly journals A Hybrid Supervised/Unsupervised Machine Learning Approach to Solar Flare Prediction

2018 ◽  
Vol 853 (1) ◽  
pp. 90 ◽  
Author(s):  
Federico Benvenuto ◽  
Michele Piana ◽  
Cristina Campi ◽  
Anna Maria Massone
Keyword(s):  
Machine Learning ◽  
Solar Flare ◽  
Learning Approach ◽  
Unsupervised Machine Learning ◽  
Machine Learning Approach
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