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The intersection between Materials Science
Engineering and Semantic Web
Andre Valdestilhas, Bernd Bayerlein, Thilo Muth, Ghezal Ahmad Jan Zia,
Benjamin Moreno Torres
27. September 2022
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
Outline
BAM
Motivation
State of the art
MSE
T
SW at BAM
Conclusion
Page 2 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
Federal Institute for Materials Research and Testing (BAM)
Page 3 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
BAM
● Scientific issues regarding digitalization
● Active since 2020
● > 20 employees
● National and International activities
● Research
● Coordination & Consultancy
Bundesanstalt für Materialforschung und -prüfung (BAM)
eScience group S.3
Page 4 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
Materials Science Engineering and Semantic Web
Materials Science
Engineering
Page 5 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
Research Questions
RQ1. What are state-of-the-art approaches in MSE using SWT?
RQ2. Which SWT are applied in MSE?
RQ3. Does SWT influence the quality of an MSE experiment?
RQ.4 What are the open challenges on the intersection between MSE and
SWT?
Page 6 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
State of the art
RQ1. What are state-of-the-art approaches in MSE using SWT?
Search Engine /
Digital Libraries
Google Scholar = 2.990
ACM Digital Library= 14.690
IEEE Xplore Digital Library=150
Springer Link = 9.222
Science Direct=2.417
Semantics Scholar = 92
Journals /
Conferences /
Workshops
ISWC/ESWC/KCAP/JWS/SWJ
/OMDI/NatureMaterials = 21
STEP 1
Scan articles
based on criteria
Download+remov
e duplicated
articles
STEP 2
Review abstract/
titles to
include/exclude
articles
Scan references
to identify suitable
articles
105
STEP 3
Reviewing full-text
42
Final selection of
articles covering
SWT in MSE
20
Page 7 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
MSE
T
SWT x year
Ontologies
RDF triples from tabular data
Page 8 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
SWT in MSE in percentage
RQ2. Which SWT are applied in MSE?
Page 9 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
Classification
RQ.4 What are the open challenges on the intersection between MSE and SWT?
PN
Age-hardenable
Al-alloy
⨅
Big and FAIR
Data
Materials
informatics
NDT
Bio
materials
Tribology
WEDM
Map
Tabular 2 RDF
⨅
Visual
Representation
MSE Methods
⨅
Provenance
MSE experiments
⨅
Ontology
Embedding
Materials Desing
⨅
MSE topic
SWT areas
⨅ Intersection
Polymer Nanocomposites (PN), Wire Eletrical Discharge Machining
(WEDM),Non-Destructive Testing (NDT)
Page 10 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
MSE
T
SWT at BAM
MatVis - A Framework to Visually Represent MSE Methods and RDF KG Creation - (RQ3)
URIs
URIs representing
the data
Convert RDF
Domain expert
Visual components off-the-shelf
MSE ontologies
Page 11 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
MSE
T
SWT at BAM
NaturalMSEQueries - RQ3. Does SWT influence the quality of an MSE experiment?
Natural Language Processing applied to query MSE data easier than
SPARQL queries
NLP
NaturalMSE
Queries
Page 12 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
MSE
T
SWT at BAM
MatPortal1
- RQ3. Does SWT influence the quality of an MSE experiment?
1
https://matportal.org/
Page 13 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
MSE
T
SWT at BAM
LebeDigital2
- RQ3. Does SWT influence the quality of an MSE experiment?
RDF Graph to store MSE data provenance from experimental data to
model prediction
Sukhobok, Dina, et al. "Tabular data cleaning and linked data generation with Grafterizer." European Semantic Web
Conference. Springer, Cham, 2016.
2
BMBF-funded - https://material-digital.de/project/3
Page 14 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
MSE
T
SWT at BAM
Sequential Learning App for Materials Discovery - SLAMD [Völker et al. 2021]3
- RQ3
Ontology Embedding helping to improve the the prediction of ideal
material candidates
Mapping Tabular data to RDF
Machine Learning
Acceleration:
Before: 82 … 480 Years
After: 45 … 630 Days
3
https://slamd-web.herokuapp.com/
Page 15 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
Conclusion
Detailed a systematic literature review of MSE using SW
Illustrate the impact of applying SWT to MSE
Present specific open challenges on the intersection between MSE
and SWT
Next steps (elaborate new approaches based the open challenges and
the State of the art)
Page 16 of 17
BAM Motivation State of the art MSE
T
SWT at BAM Conclusion
Thanks!
Contact: Andre Valdestilhas
email: andre.valdestilhas@bam.de
web page: bam.de/e-science
twitter: @BamEscience
Link to the presentation: https://tinyurl.com/andrelswt2022
Special thanks to: Christoph Völker and Thomas Hanke
Page 17 of 17

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Presentation MSE 2022

  • 1. The intersection between Materials Science Engineering and Semantic Web Andre Valdestilhas, Bernd Bayerlein, Thilo Muth, Ghezal Ahmad Jan Zia, Benjamin Moreno Torres 27. September 2022
  • 2. BAM Motivation State of the art MSE T SWT at BAM Conclusion Outline BAM Motivation State of the art MSE T SW at BAM Conclusion Page 2 of 17
  • 3. BAM Motivation State of the art MSE T SWT at BAM Conclusion Federal Institute for Materials Research and Testing (BAM) Page 3 of 17
  • 4. BAM Motivation State of the art MSE T SWT at BAM Conclusion BAM ● Scientific issues regarding digitalization ● Active since 2020 ● > 20 employees ● National and International activities ● Research ● Coordination & Consultancy Bundesanstalt für Materialforschung und -prüfung (BAM) eScience group S.3 Page 4 of 17
  • 5. BAM Motivation State of the art MSE T SWT at BAM Conclusion Materials Science Engineering and Semantic Web Materials Science Engineering Page 5 of 17
  • 6. BAM Motivation State of the art MSE T SWT at BAM Conclusion Research Questions RQ1. What are state-of-the-art approaches in MSE using SWT? RQ2. Which SWT are applied in MSE? RQ3. Does SWT influence the quality of an MSE experiment? RQ.4 What are the open challenges on the intersection between MSE and SWT? Page 6 of 17
  • 7. BAM Motivation State of the art MSE T SWT at BAM Conclusion State of the art RQ1. What are state-of-the-art approaches in MSE using SWT? Search Engine / Digital Libraries Google Scholar = 2.990 ACM Digital Library= 14.690 IEEE Xplore Digital Library=150 Springer Link = 9.222 Science Direct=2.417 Semantics Scholar = 92 Journals / Conferences / Workshops ISWC/ESWC/KCAP/JWS/SWJ /OMDI/NatureMaterials = 21 STEP 1 Scan articles based on criteria Download+remov e duplicated articles STEP 2 Review abstract/ titles to include/exclude articles Scan references to identify suitable articles 105 STEP 3 Reviewing full-text 42 Final selection of articles covering SWT in MSE 20 Page 7 of 17
  • 8. BAM Motivation State of the art MSE T SWT at BAM Conclusion MSE T SWT x year Ontologies RDF triples from tabular data Page 8 of 17
  • 9. BAM Motivation State of the art MSE T SWT at BAM Conclusion SWT in MSE in percentage RQ2. Which SWT are applied in MSE? Page 9 of 17
  • 10. BAM Motivation State of the art MSE T SWT at BAM Conclusion Classification RQ.4 What are the open challenges on the intersection between MSE and SWT? PN Age-hardenable Al-alloy ⨅ Big and FAIR Data Materials informatics NDT Bio materials Tribology WEDM Map Tabular 2 RDF ⨅ Visual Representation MSE Methods ⨅ Provenance MSE experiments ⨅ Ontology Embedding Materials Desing ⨅ MSE topic SWT areas ⨅ Intersection Polymer Nanocomposites (PN), Wire Eletrical Discharge Machining (WEDM),Non-Destructive Testing (NDT) Page 10 of 17
  • 11. BAM Motivation State of the art MSE T SWT at BAM Conclusion MSE T SWT at BAM MatVis - A Framework to Visually Represent MSE Methods and RDF KG Creation - (RQ3) URIs URIs representing the data Convert RDF Domain expert Visual components off-the-shelf MSE ontologies Page 11 of 17
  • 12. BAM Motivation State of the art MSE T SWT at BAM Conclusion MSE T SWT at BAM NaturalMSEQueries - RQ3. Does SWT influence the quality of an MSE experiment? Natural Language Processing applied to query MSE data easier than SPARQL queries NLP NaturalMSE Queries Page 12 of 17
  • 13. BAM Motivation State of the art MSE T SWT at BAM Conclusion MSE T SWT at BAM MatPortal1 - RQ3. Does SWT influence the quality of an MSE experiment? 1 https://matportal.org/ Page 13 of 17
  • 14. BAM Motivation State of the art MSE T SWT at BAM Conclusion MSE T SWT at BAM LebeDigital2 - RQ3. Does SWT influence the quality of an MSE experiment? RDF Graph to store MSE data provenance from experimental data to model prediction Sukhobok, Dina, et al. "Tabular data cleaning and linked data generation with Grafterizer." European Semantic Web Conference. Springer, Cham, 2016. 2 BMBF-funded - https://material-digital.de/project/3 Page 14 of 17
  • 15. BAM Motivation State of the art MSE T SWT at BAM Conclusion MSE T SWT at BAM Sequential Learning App for Materials Discovery - SLAMD [Völker et al. 2021]3 - RQ3 Ontology Embedding helping to improve the the prediction of ideal material candidates Mapping Tabular data to RDF Machine Learning Acceleration: Before: 82 … 480 Years After: 45 … 630 Days 3 https://slamd-web.herokuapp.com/ Page 15 of 17
  • 16. BAM Motivation State of the art MSE T SWT at BAM Conclusion Conclusion Detailed a systematic literature review of MSE using SW Illustrate the impact of applying SWT to MSE Present specific open challenges on the intersection between MSE and SWT Next steps (elaborate new approaches based the open challenges and the State of the art) Page 16 of 17
  • 17. BAM Motivation State of the art MSE T SWT at BAM Conclusion Thanks! Contact: Andre Valdestilhas email: andre.valdestilhas@bam.de web page: bam.de/e-science twitter: @BamEscience Link to the presentation: https://tinyurl.com/andrelswt2022 Special thanks to: Christoph Völker and Thomas Hanke Page 17 of 17