scholarly journals Spotting Frozen Curd in PDO Buffalo Mozzarella Cheese Through Insights on Its Supramolecular Structure Acquired by 1H TD-NMR Relaxation Experiments

2021 ◽  
Vol 11 (4) ◽  
pp. 1466
Author(s):  
Carlo Mengucci ◽  
Davide Rabiti ◽  
Eleonora Urbinati ◽  
Gianfranco Picone ◽  
Raffaele Romano ◽  
...  
Keyword(s):  
Machine Learning ◽  
Supramolecular Structure ◽  
Chemical Species ◽  
Nmr Relaxation ◽  
Exponential Fitting ◽  
Protected Designation Of Origin ◽  
The Matrix ◽  
Relaxation Experiments ◽  
Latent Structures ◽  
Set Up

The addition of frozen curd (FC) during the production process of “Mozzarella di Bufala Campana”, an Italian cheese with Protected Designation of Origin (PDO), is a common fraud not involving modifications of the chemical composition in the final product. Its detection cannot thus be easily obtained by common analytical methods, which are targeted at changes in concentrations of diagnostic chemical species. In this work, the possibility of spotting this fraud by focusing on the modifications of the supramolecular structure of the food matrix, detected by time domain nuclear magnetic resonance (TD-NMR) experiments, was investigated. Cheese samples were manufactured in triplicate, according to the PDO disciplinary of production, except for using variable amounts of FC (i.e., 0, 15, 30, and 50% w/w). Relaxation data were analysed through different approaches: (i) Discrete multi-exponential fitting, (ii) continuous Laplace inverse fitting, and (iii) chemometrics approach. The strategy that lead to best detection results was the chemometrics analysis of raw Carr-Purcell-Meiboom-Gill (CPMG) decays, allowing to discriminate between compliant and adulterated samples, with as low as 15% of FC addition. The strategy is based on the use of machine learning for projection on latent structures of raw CPMG data and classification tasks for fraud detection, using quadratic discriminant analysis. By coupling TD-NMR raw decays with machine learning, this work opens the way to set up a system for detecting common food frauds modifying the matrix structure, for which no official authentication methods are yet available.

ORGANIC (1).pdf

2017 ◽  
Author(s):  
Benjamin Sanchez-Lengeling ◽  
Carlos Outeiral ◽  
Gabriel L. Guimaraes ◽  
Alan Aspuru-Guzik
Keyword(s):  
Machine Learning ◽  
Learning Community ◽  
Chemical Species ◽  
Material Design ◽  
Organic Photovoltaic ◽  
Generative Adversarial Networks ◽  
Generative Adversarial Network ◽  
Adversarial Network ◽  
Adversarial Networks ◽  
Photovoltaic Material

Molecular discovery seeks to generate chemical species tailored to very specific needs. In this paper, we present ORGANIC, a framework based on Objective-Reinforced Generative Adversarial Networks (ORGAN), capable of producing a distribution over molecular space that matches with a certain set of desirable metrics. This methodology combines two successful techniques from the machine learning community: a Generative Adversarial Network (GAN), to create non-repetitive sensible molecular species, and Reinforcement Learning (RL), to bias this generative distribution towards certain attributes. We explore several applications, from optimization of random physicochemical properties to candidates for drug discovery and organic photovoltaic material design.

scholarly journals Prediction of Pest Insect Appearance Using Sensors and Machine Learning

Sensors ◽  
2021 ◽  
Vol 21 (14) ◽  
pp. 4846
Author(s):  
Dušan Marković ◽  
Dejan Vujičić ◽  
Snežana Tanasković ◽  
Borislav Đorđević ◽  
Siniša Ranđić ◽  
...  
Keyword(s):  
Machine Learning ◽  
Relative Humidity ◽  
Weather Conditions ◽  
Daily Basis ◽  
Machine Learning Algorithms ◽  
Lower Percentage ◽  
Timely Manner ◽  
Proposed Model ◽  
Set Up ◽  
Accuracy Of Prediction

The appearance of pest insects can lead to a loss in yield if farmers do not respond in a timely manner to suppress their spread. Occurrences and numbers of insects can be monitored through insect traps, which include their permanent touring and checking of their condition. Another more efficient way is to set up sensor devices with a camera at the traps that will photograph the traps and forward the images to the Internet, where the pest insect’s appearance will be predicted by image analysis. Weather conditions, temperature and relative humidity are the parameters that affect the appearance of some pests, such as Helicoverpa armigera. This paper presents a model of machine learning that can predict the appearance of insects during a season on a daily basis, taking into account the air temperature and relative humidity. Several machine learning algorithms for classification were applied and their accuracy for the prediction of insect occurrence was presented (up to 76.5%). Since the data used for testing were given in chronological order according to the days when the measurement was performed, the existing model was expanded to take into account the periods of three and five days. The extended method showed better accuracy of prediction and a lower percentage of false detections. In the case of a period of five days, the accuracy of the affected detections was 86.3%, while the percentage of false detections was 11%. The proposed model of machine learning can help farmers to detect the occurrence of pests and save the time and resources needed to check the fields.

Selecting optimal SpMV realizations for GPUs via machine learning

2021 ◽  
pp. 109434202199073
Author(s):  
Ernesto Dufrechou ◽  
Pablo Ezzatti ◽  
Enrique S Quintana-Ortí
Keyword(s):  
Machine Learning ◽  
Sparse Matrix ◽  
Machine Learning Techniques ◽  
Optimal Method ◽  
Learning Techniques ◽  
General Rules ◽  
Machine Learning Approach ◽  
The Matrix ◽  
Time And Energy ◽  
Matrix Vector

More than 10 years of research related to the development of efficient GPU routines for the sparse matrix-vector product (SpMV) have led to several realizations, each with its own strengths and weaknesses. In this work, we review some of the most relevant efforts on the subject, evaluate a few prominent routines that are publicly available using more than 3000 matrices from different applications, and apply machine learning techniques to anticipate which SpMV realization will perform best for each sparse matrix on a given parallel platform. Our numerical experiments confirm the methods offer such varied behaviors depending on the matrix structure that the identification of general rules to select the optimal method for a given matrix becomes extremely difficult, though some useful strategies (heuristics) can be defined. Using a machine learning approach, we show that it is possible to obtain unexpensive classifiers that predict the best method for a given sparse matrix with over 80% accuracy, demonstrating that this approach can deliver important reductions in both execution time and energy consumption.

scholarly journals A machine-learning-based alloy design platform that enables both forward and inverse predictions for thermo-mechanically controlled processed (TMCP) steel alloys

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Jin-Woong Lee ◽  
Chaewon Park ◽  
Byung Do Lee ◽  
Joonseo Park ◽  
Nam Hoon Goo ◽  
...  
Keyword(s):  
Machine Learning ◽  
Feature Space ◽  
Research Strategy ◽  
Nsga Ii ◽  
Steel Alloys ◽  
Non Linear ◽  
Data Driven Approach ◽  
Processing Information ◽  
Set Up ◽  
World Industry

AbstractPredicting mechanical properties such as yield strength (YS) and ultimate tensile strength (UTS) is an intricate undertaking in practice, notwithstanding a plethora of well-established theoretical and empirical models. A data-driven approach should be a fundamental exercise when making YS/UTS predictions. For this study, we collected 16 descriptors (attributes) that implicate the compositional and processing information and the corresponding YS/UTS values for 5473 thermo-mechanically controlled processed (TMCP) steel alloys. We set up an integrated machine-learning (ML) platform consisting of 16 ML algorithms to predict the YS/UTS based on the descriptors. The integrated ML platform involved regularization-based linear regression algorithms, ensemble ML algorithms, and some non-linear ML algorithms. Despite the dirty nature of most real-world industry data, we obtained acceptable holdout dataset test results such as R2 > 0.6 and MSE < 0.01 for seven non-linear ML algorithms. The seven fully trained non-linear ML models were used for the ensuing ‘inverse design (prediction)’ based on an elitist-reinforced, non-dominated sorting genetic algorithm (NSGA-II). The NSGA-II enabled us to predict solutions that exhibit desirable YS/UTS values for each ML algorithm. In addition, the NSGA-II-driven solutions in the 16-dimensional input feature space were visualized using holographic research strategy (HRS) in order to systematically compare and analyze the inverse-predicted solutions for each ML algorithm.

Conformational dynamics and thermodynamics of protein–ligand binding studied by NMR relaxation

2012 ◽  
Vol 40 (2) ◽  
pp. 419-423 ◽  
Author(s):  
Mikael Akke
Keyword(s):  
Ligand Binding ◽  
Bound States ◽  
Conformational Dynamics ◽  
Nmr Relaxation ◽  
Titration Calorimetry ◽  
Conformational Entropy ◽  
Chain Order ◽  
Ligand Interactions ◽  
Galectin 3 ◽  
Relaxation Experiments

Protein conformational dynamics can be critical for ligand binding in two ways that relate to kinetics and thermodynamics respectively. First, conformational transitions between different substates can control access to the binding site (kinetics). Secondly, differences between free and ligand-bound states in their conformational fluctuations contribute to the entropy of ligand binding (thermodynamics). In the present paper, I focus on the second topic, summarizing our recent results on the role of conformational entropy in ligand binding to Gal3C (the carbohydrate-recognition domain of galectin-3). NMR relaxation experiments provide a unique probe of conformational entropy by characterizing bond-vector fluctuations at atomic resolution. By monitoring differences between the free and ligand-bound states in their backbone and side chain order parameters, we have estimated the contributions from conformational entropy to the free energy of binding. Overall, the conformational entropy of Gal3C increases upon ligand binding, thereby contributing favourably to the binding affinity. Comparisons with the results from isothermal titration calorimetry indicate that the conformational entropy is comparable in magnitude to the enthalpy of binding. Furthermore, there are significant differences in the dynamic response to binding of different ligands, despite the fact that the protein structure is virtually identical in the different protein–ligand complexes. Thus both affinity and specificity of ligand binding to Gal3C appear to depend in part on subtle differences in the conformational fluctuations that reflect the complex interplay between structure, dynamics and ligand interactions.

Backbone dynamics of the CDK inhibitor p19INK4d studied by 15N NMR relaxation experiments at two field strengths

1998 ◽  
Vol 283 (1) ◽  
pp. 221-229 ◽  
Author(s):  
Christian Renner ◽  
Roland Baumgartner ◽  
Angelika A Noegel ◽  
Tad A Holak
Keyword(s):  
Nmr Relaxation ◽  
Backbone Dynamics ◽  
15N Nmr ◽  
Cdk Inhibitor ◽  
15N Nmr Relaxation ◽  
Relaxation Experiments ◽  
Field Strengths

scholarly journals Assessing biases, relaxing moralism: On ground-truthing practices in machine learning design and application

2021 ◽  
Vol 8 (1) ◽  
pp. 205395172110135
Author(s):  
Florian Jaton
Keyword(s):  
Machine Learning ◽  
William James ◽  
A Priori ◽  
Learning Algorithms ◽  
Three Dimensional ◽  
Ground Truth ◽  
Machine Learning Algorithms ◽  
Ground Truthing ◽  
Set Up ◽  
The Moment

This theoretical paper considers the morality of machine learning algorithms and systems in the light of the biases that ground their correctness. It begins by presenting biases not as a priori negative entities but as contingent external referents—often gathered in benchmarked repositories called ground-truth datasets—that define what needs to be learned and allow for performance measures. I then argue that ground-truth datasets and their concomitant practices—that fundamentally involve establishing biases to enable learning procedures—can be described by their respective morality, here defined as the more or less accounted experience of hesitation when faced with what pragmatist philosopher William James called “genuine options”—that is, choices to be made in the heat of the moment that engage different possible futures. I then stress three constitutive dimensions of this pragmatist morality, as far as ground-truthing practices are concerned: (I) the definition of the problem to be solved (problematization), (II) the identification of the data to be collected and set up (databasing), and (III) the qualification of the targets to be learned (labeling). I finally suggest that this three-dimensional conceptual space can be used to map machine learning algorithmic projects in terms of the morality of their respective and constitutive ground-truthing practices. Such techno-moral graphs may, in turn, serve as equipment for greater governance of machine learning algorithms and systems.

Position Estimation of Single Camera Visual System Based on Total Least Squares Algorithm

2012 ◽  
Vol 239-240 ◽  
pp. 1352-1355
Author(s):  
Jing Zhou ◽  
Yin Han Gao ◽  
Chang Yin Liu ◽  
Ji Zhi Li
Keyword(s):  
Visual System ◽  
Least Squares ◽  
Total Least Squares ◽  
Position Estimation ◽  
Feature Points ◽  
Perspective Theory ◽  
Optical Feature ◽  
The Matrix ◽  
Least Squares Algorithm ◽  
Set Up

The position estimation of optical feature points of visual system is the focus factor of the precision of system. For this problem , to present the Total Least Squares Algorithm . Firstly , set up the measurement coordinate system and 3D model between optical feature points, image points and the position of camera according to the position relation ; Second , build the matrix equations between optical feature points and image points ; Then apply in the total least squares to have an optimization calculation ; Finally apply in the coordinate measuring machining to have a simulation comparison experiment , the results indicate that the standard tolerance of attitude coordinate calculated by total least squares is 0.043mm, it validates the effectiveness; Compare with the traditional method based on three points perspective theory, measure the standard gauge of 500mm; the standard tolerance of traditional measurement system is 0.0641mm, the standard tolerance of Total Least Squares Algorithm is 0.0593mm; The experiment proves the Total Least Squares Algorithm is effective and has high precision.

scholarly journals Research and Practice of individualized talent Training Mode for rail transit majors from the perspective of new engineering

2020 ◽  
Vol 218 ◽  
pp. 02003
Author(s):  
Zhao Wu ◽  
Hai Xiang Li ◽  
Jun Ying Qi
Keyword(s):  
Evaluation System ◽  
Teaching Practice ◽  
Implementation Process ◽  
Training Model ◽  
Urban Rail Transit ◽  
Rail Transit ◽  
Existing Problems ◽  
Training Mode ◽  
The Matrix ◽  
Set Up

In order to cultivate application-oriented talents of urban rail transit, individualized talent training mode is an important measure. In view of the existing problems in the training of rail transit professionals, the research group proposed the framework of individualized talent training under the background of new engineering, planned the matrix corresponding to graduation requirements and knowledge, ability and quality, and then set up the curriculum system and built the multi-evaluation system in the implementation process. The developed solution has been put into practice and will be tested in the future teaching practice activities in order to constantly improve the personalized talent training model.

scholarly journals Machine Learning and Artificial Intelligence in Online Fake Transaction Alerting

2015 ◽  
Vol 3 (2) ◽  
pp. 115-126 ◽  
Author(s):  
Naresh Babu Bynagari
Keyword(s):  
Artificial Intelligence ◽  
Machine Learning ◽  
Fraud Detection ◽  
Learning Ability ◽  
The Core ◽  
The Past ◽  
Music Selection ◽  
Intelligent Analysis ◽  
Set Up ◽  
Detection Mechanisms

Artificial Intelligence (AI) is one of the most promising and intriguing innovations of modernity. Its potential is virtually unlimited, from smart music selection in personal gadgets to intelligent analysis of big data and real-time fraud detection and aversion. At the core of the AI philosophy lies an assumption that once a computer system is provided with enough data, it can learn based on that input. The more data is provided, the more sophisticated its learning ability becomes. This feature has acquired the name "machine learning" (ML). The opportunities explored with ML are plentiful today, and one of them is an ability to set up an evolving security system learning from the past cyber-fraud experiences and developing more rigorous fraud detection mechanisms. Read on to learn more about ML, the types and magnitude of fraud evidenced in modern banking, e-commerce, and healthcare, and how ML has become an innovative, timely, and efficient fraud prevention technology.

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