Scikit-Learn Classifier Tuning from Complex Training Sets

<p>The chemical space for novel electronic donor-acceptor oligomers with targeted properties was explored using deep generative models and transfer learning. A General Recurrent Neural Network model was trained from the ChEMBL database to generate chemically valid SMILES strings. The parameters of the General Recurrent Neural Network were fine-tuned via transfer learning using the electronic donor-acceptor database from the Computational Material Repository to generate novel donor-acceptor oligomers. Six different transfer learning models were developed with different subsets of the donor-acceptor database as training sets. We concluded that electronic properties such as HOMO-LUMO gaps and dipole moments of the training sets can be learned using the SMILES representation with deep generative models, and that the chemical space of the training sets can be efficiently explored. This approach identified approximately 1700 new molecules that have promising electronic properties (HOMO-LUMO gap <2 eV and dipole moment <2 Debye), 6-times more than in the original database. Amongst the molecular transformations, the deep generative model has learned how to produce novel molecules by trading off between selected atomic substitutions (such as halogenation or methylation) and molecular features such as the spatial extension of the oligomer. The method can be extended as a plausible source of new chemical combinations to effectively explore the chemical space for targeted properties.</p>

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FORMATION OF TRAINING SETS FOR NEURAL NETWORKS BASED ON SYNTHESIZED DATA

PROCESSING, TRANSMISSION AND PROTECTION OF INFORMATION IN COMPUTER SYSTEMS ◽

10.31799/978-5-8088-1452-3-2020-1-164-168 ◽

2020 ◽

Author(s):

A. S. Urazov ◽

◽

A. A. Vostrikov ◽

Keyword(s):

Neural Networks ◽

Training Sets

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Social Competencies and Global Skills—Professional Competences of University Teachers of Engineering Programmes

Lifelong Learning ◽

10.11118/lifele2015050330 ◽

2015 ◽

Vol 5 (3) ◽

pp. 30-44

Author(s):

Eva Svitačová ◽

Tímea Šeben Zaťková

Keyword(s):

Social Environment ◽

Professional Competence ◽

Global Environment ◽

Educational Goals ◽

Social Competencies ◽

University Teachers ◽

Complex Training ◽

Global Skills ◽

Globalization Of Education ◽

Social Competences

Globalization of education is closely connected to increasing personality requirements for university teachers who should be well-educated professionals as well as mature personalities coping with interactions not only within the environment of their faculty or university, but also in the broader new global environment. As they are expected to provide complex training of the graduates for the practice in the globalized world, they are supposed to have mastered not only professional and pedagogical competences, but also social competences which belong amongst the key competences. This contribution deals with the issue of social competences amongst which we also include specific group of global skills. The issue of competences can be perceived as a challenge for the whole educational system, including the training of future teachers who in the new global environment gradually change into global teachers. For realization of educational activities at universities in the new global environment intercultural and global competencies or global skills are important in particular. Not only they facilitate fulfilling of educational goals, they also provide complex training of the graduates for the practice in different fields of science and technology with regard to the the fact that they will then realize teaching in the new global economic and social environment. At the same time they provide easier communication and cooperation with different subjects at schools, universities and in the broader social environment. In the contribution we provide a summary of definitions and opinions of different authors on this issue. Currently these are considered to make a part of the “professional competence” of a global teacher who can understand the changes in the global environment and react to them flexibly through his pedagogical activities. No matter to what extent the competencies along with knowledge and skills are considered to represent goals and simultaneously results of education, social competences of university teachers should be currently perceived as an issue that demands increasing attention also from university pedagogy which is understood as an important prerequisite of quality pedagogical work of a university teacher. This issue actually became a matter of interest of numerous university workplaces.

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Semi-automated classification of colonial Microcystis by FlowCAM imaging flow cytometry in mesocosm experiment reveals high heterogeneity during seasonal bloom

Scientific Reports ◽

10.1038/s41598-021-88661-2 ◽

2021 ◽

Vol 11 (1) ◽

Author(s):

Yersultan Mirasbekov ◽

Adina Zhumakhanova ◽

Almira Zhantuyakova ◽

Kuanysh Sarkytbayev ◽

Dmitry V. Malashenkov ◽

...

Keyword(s):

Machine Learning ◽

Flow Cytometry ◽

Spatial Resolution ◽

Mesocosm Experiment ◽

Imaging Flow Cytometry ◽

Leibler Divergence ◽

Temporal And Spatial ◽

High Level ◽

Training Sets

AbstractA machine learning approach was employed to detect and quantify Microcystis colonial morphospecies using FlowCAM-based imaging flow cytometry. The system was trained and tested using samples from a long-term mesocosm experiment (LMWE, Central Jutland, Denmark). The statistical validation of the classification approaches was performed using Hellinger distances, Bray–Curtis dissimilarity, and Kullback–Leibler divergence. The semi-automatic classification based on well-balanced training sets from Microcystis seasonal bloom provided a high level of intergeneric accuracy (96–100%) but relatively low intrageneric accuracy (67–78%). Our results provide a proof-of-concept of how machine learning approaches can be applied to analyze the colonial microalgae. This approach allowed to evaluate Microcystis seasonal bloom in individual mesocosms with high level of temporal and spatial resolution. The observation that some Microcystis morphotypes completely disappeared and re-appeared along the mesocosm experiment timeline supports the hypothesis of the main transition pathways of colonial Microcystis morphoforms. We demonstrated that significant changes in the training sets with colonial images required for accurate classification of Microcystis spp. from time points differed by only two weeks due to Microcystis high phenotypic heterogeneity during the bloom. We conclude that automatic methods not only allow a performance level of human taxonomist, and thus be a valuable time-saving tool in the routine-like identification of colonial phytoplankton taxa, but also can be applied to increase temporal and spatial resolution of the study.

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Spatial-temporal variables for swimming coaches: A comparison study between video and TritonWear sensor

International Journal of Sports Science & Coaching ◽

10.1177/17479541211013755 ◽

2021 ◽

pp. 174795412110137

Author(s):

Robin Pla ◽

Thibaut Ledanois ◽

Escobar David Simbana ◽

Anaël Aubry ◽

Benjamin Tranchard ◽

...

Keyword(s):

Swimming Performance ◽

Video Recording ◽

Open Water ◽

Percentage Error ◽

Stroke Index ◽

Wearable Sensor ◽

Stroke Length ◽

Video Recordings ◽

Temporal Variables ◽

Training Sets

The main aim of this study was to evaluate the validity and the reliability of a swimming sensor to assess swimming performance and spatial-temporal variables. Six international male open-water swimmers completed a protocol which consisted of two training sets: a 6×100m individual medley and a continuous 800 m set in freestyle. Swimmers were equipped with a wearable sensor, the TritonWear to collect automatically spatial-temporal variables: speed, lap time, stroke count (SC), stroke length (SL), stroke rate (SR), and stroke index (SI). Video recordings were added as a “gold-standard” and used to assess the validity and the reliability of the TritonWear sensor. The results show that the sensor provides accurate results in comparison with video recording measurements. A very high accuracy was observed for lap time with a mean absolute percentage error (MAPE) under 5% for each stroke (2.2, 3.2, 3.4, 4.1% for butterfly, backstroke, breaststroke and freestyle respectively) but high error ranges indicate a dependence on swimming technique. Stroke count accuracy was higher for symmetric strokes than for alternate strokes (MAPE: 0, 2.4, 7.1 & 4.9% for butterfly, breaststroke, backstroke & freestyle respectively). The other variables (SL, SR & SI) derived from the SC and the lap time also show good accuracy in all strokes. The wearable sensor provides an accurate real time feedback of spatial-temporal variables in six international open-water swimmers during classical training sets (at low to moderate intensities), which could be a useful tool for coaches, allowing them to monitor training load with no effort.

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Attention Theory and Training Research

Proceedings of the Human Factors Society Annual Meeting ◽

10.1177/154193128703100608 ◽

1987 ◽

Vol 31 (6) ◽

pp. 648-651 ◽

Cited By ~ 2

Author(s):

James G. Connelly ◽

Christopher D. Wickens ◽

Gavan Lintern ◽

Kelly Harwood

Keyword(s):

Mental Workload ◽

Open Loop ◽

Flight Simulation ◽

Complex Task ◽

Time Sharing ◽

Attention Theory ◽

Stimulus Response ◽

Training Research ◽

Complex Training ◽

The Stability

This study used elements of attention theory as a methodological basis to decompose a complex training task in order to improve training efficiency. The complex task was a microcomputer flight simulation where subjects were required to control the stability of their own helicopter while acquiring and engaging enemy helicopters in a threat environment. Subjects were divided into whole-task, part-task, and part/open loop adaptive task groups in a transfer of training paradigm. The effect of reducing mental workload at the early stages of learning was examined with respect to the degree that subordinate elements of the complex task could be automated through practice of consistent, learnable stimulus-response relationships. Results revealed trends suggesting the benefit of isolating consistently mapped sub-tasks for part-task training and the presence of a time-sharing skill over and above the skill required for the separate subtasks.

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