Developing accurate data-driven soft-sensors through integrating dynamic kernel slow feature analysis with neural networks

2021 ◽  
Vol 106 ◽  
pp. 208-220
Author(s):  
Jeremiah Corrigan ◽  
Jie Zhang
2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Miao Zhang ◽  
Le Zhou ◽  
Jing Jie ◽  
Xiaoli Wu

Data-driven soft sensors are widely used to predict quality indices in propylene polymerization processes to improve the availability of measurements and efficiency. To deal with the nonlinearity and dynamics in propylene polymerization processes, a novel soft sensor based on quality-relevant slow feature analysis and Bayesian regression is proposed in this paper. The proposed method can handle the dynamics of the process better by extracting quality-relevant slow features, which present both the slowly varying characteristic and the correlations with quality indices. Meanwhile, a Bayesian inference model is developed to predict the quality indices, which takes advantages of a probability framework with iterative maximum likelihood techniques for parameter estimation and a sparse constraint for avoiding overfitting. Finally, a case study is conducted with data sampled from a practical industrial propylene polymerization process to demonstrate the effectiveness and superiority of the proposed method.


2021 ◽  
Vol 7 (15) ◽  
pp. eabe4166
Author(s):  
Philippe Schwaller ◽  
Benjamin Hoover ◽  
Jean-Louis Reymond ◽  
Hendrik Strobelt ◽  
Teodoro Laino

Humans use different domain languages to represent, explore, and communicate scientific concepts. During the last few hundred years, chemists compiled the language of chemical synthesis inferring a series of “reaction rules” from knowing how atoms rearrange during a chemical transformation, a process called atom-mapping. Atom-mapping is a laborious experimental task and, when tackled with computational methods, requires continuous annotation of chemical reactions and the extension of logically consistent directives. Here, we demonstrate that Transformer Neural Networks learn atom-mapping information between products and reactants without supervision or human labeling. Using the Transformer attention weights, we build a chemically agnostic, attention-guided reaction mapper and extract coherent chemical grammar from unannotated sets of reactions. Our method shows remarkable performance in terms of accuracy and speed, even for strongly imbalanced and chemically complex reactions with nontrivial atom-mapping. It provides the missing link between data-driven and rule-based approaches for numerous chemical reaction tasks.


2021 ◽  
Vol 15 (1) ◽  
Author(s):  
Anastasios A. Tsonis ◽  
Geli Wang ◽  
Lvyi Zhang ◽  
Wenxu Lu ◽  
Aristotle Kayafas ◽  
...  

Abstract Background Mathematical approaches have been for decades used to probe the structure of DNA sequences. This has led to the development of Bioinformatics. In this exploratory work, a novel mathematical method is applied to probe the DNA structure of two related viral families: those of coronaviruses and those of influenza viruses. The coronaviruses are SARS-CoV-2, SARS-CoV-1, and MERS. The influenza viruses include H1N1-1918, H1N1-2009, H2N2-1957, and H3N2-1968. Methods The mathematical method used is the slow feature analysis (SFA), a rather new but promising method to delineate complex structure in DNA sequences. Results The analysis indicates that the DNA sequences exhibit an elaborate and convoluted structure akin to complex networks. We define a measure of complexity and show that each DNA sequence exhibits a certain degree of complexity within itself, while at the same time there exists complex inter-relationships between the sequences within a family and between the two families. From these relationships, we find evidence, especially for the coronavirus family, that increasing complexity in a sequence is associated with higher transmission rate but with lower mortality. Conclusions The complexity measure defined here may hold a promise and could become a useful tool in the prediction of transmission and mortality rates in future new viral strains.


Solar Energy ◽  
2021 ◽  
Vol 218 ◽  
pp. 48-56
Author(s):  
Max Pargmann ◽  
Daniel Maldonado Quinto ◽  
Peter Schwarzbözl ◽  
Robert Pitz-Paal

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