Deli e able 5.1.1.1
DEFINE REQUIREMENTS FOR METADATA SCHEMA
24.01.2025
De ine equi emen s o me ada a schema
Ramiz Qussous 1, Co inna Seiwe h 2, Jan Sö en Schwa z 3,4, Nan Liu 5,
Philipp Schmu 5, Zhiyu Pan 6, and S ephan Fe enz 3,4
1Uni e si y o F eibu g, INATECH, ROR, Emmy-Noe he -S . 2, 79110 F eibu g im B eisgau
2F ied ich-Alexande -Uni e si ä E langen-Nü nbe g, Chai o Compu e Science 7 (Compu e
Ne wo ks and Communica ion Sys ems), ROR, Ma enss aße 3, 91058 E langen
3OFFIS, Ins i u e o In o ma ion Technology, ROR, Esche weg 2, 26121 Oldenbu g
4Ca l on Ossie zky Uni e si ä Oldenbu g, Depa men o Compu ing Science, ROR,
Amme lände Hee s aße 114-118, 26129 Oldenbu g
5Ka ls uhe Ins i u e o Technology, Ins i u e o Au oma ion and Applied In o ma ics, ROR,
He mann- on-Helmhol z-Pla z 1, 76344 Eggens ein-Leopoldsha en
6RWTH Aachen, Ins i u e o Au oma ion o Complex Powe Sys ems, ROR, Ma hieus aße
10, 52074 Aachen
Published by
INATECH, Uni e si y o F eibu g, ROR,
Emmy-Noe he -S . 2,
79110 F eibu g im B eisgau
www.ina ech.de
Acknowledgemen s
The au ho s o his a icle ha e used a ious p epa a o y wo ks om he NFDI4Ene gy o c ea e his
po ai , and e e ences ha e been made whe e possible. Thanks o all hose who a e no named.
The au ho s would like o hank he Ge man Fede al Go e nmen , he Ge man S a e Go e nmen s,
and he Join Science Con e ence (GWK) o hei unding and suppo as pa o he NFDI4Ene gy
conso ium. The wo k was unded by he Ge man Resea ch Founda ion (DFG) – 501865131 wi hin
he Ge man Na ional Resea ch Da a In as uc u e (NFDI, www.n di.de).
License
This documen is published unde he A ibu ion 4.0 In e na ional (CC BY 4.0).
This license allows use s o dis ibu e, emix, adap , and build upon he ma e ial in
any medium o o ma , so long as a ibu ion is gi en o he c ea o . The license
allows o comme cial use.
This deli e able is a chi ed a Zenodo: DOI: 10.5281/zenodo.17542734.
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Table o Con en s
Gene al in o ma ion ................................................................................ 3
Summa y........................................................................................ 3
Deli e able 5.1.1.1 wi hin NFDI4Ene gy....................................................... 3
Deli e able desc ip ion ............................................................................. 4
In oduc ion .................................................................................... 4
Regis ies compa ed ............................................................................ 4
Requi emen s Analysis ............................................................................. 5
Co e Me ada a Requi emen s .................................................................. 5
S uc u al Requi emen s........................................................................ 6
S akeholde Engagemen and Valida ion....................................................... 6
Conclusion.......................................................................................... 6
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Gene al in o ma ion
Summa y
The goal o Measu e 5.1 is o es ablish a s uc u ed and comp ehensi e o e iew o ene gy simu-
la ion so wa e and me hods by de eloping a me ada a schema ha e ec i ely ca ego izes di e en
modeling app oaches (e.g., agen -based models, op imiza ion models, heu is ic-based models, hy-
b id app oaches). This e o aims o enable esea che s o loca e, compa e, and access a ious
simula ion models ac oss di e en b anches o ene gy esea ch. As an ini ial s ep, we de ined he
equi emen s o a me ada a schema ha e lec s bo h unc ional and non- unc ional ea u es o a
model egis y. The equi emen s collec ed wi hin his deli e able ollow he ”modeling guidelines o
me ada a equi emen s” as de ined by Measu e 4.3 [1].
Deli e able 5.1.1.1 wi hin NFDI4Ene gy
Task A ea 5 ocuses on suppo ing in e disciplina y simula ion e o s wi hin ene gy sys em esea ch.
Measu e 5.1 add esses he challenge o ca ego izing ene gy simula ion so wa e o p o ide mo e e ec-
i e access, euse, and in e ope abili y. This deli e able o Task 5.1.1 is a ounda ional s ep owa d
de eloping a me ada a schema o ene gy simula ion so wa e.
Deli e able D5.1.1.1 is conce ned wi h de ining equi emen s o a me ada a schema o ene gy sim-
ula ion so wa e, laying he g oundwo k o a s uc u ed ca ego iza ion ha can be applied ac oss
a wide a ie y o models. This deli e able eeds di ec ly in o he subsequen de elopmen o he
me ada a schema i sel (D5.1.1.2) and he s akeholde engagemen p ocess o i s ex ension and
e iew (D5.1.1.3). Addi ionally, i se s he s age o he c ea ion o model egis ies (Tasks 5.1.2 and
5.1.3), which will build upon his ounda ional wo k.
This wo k closely aligns wi h he e o s in Measu e 4.1, which ocuses on domain-speci ic on ologies
and me ada a. The me ada a schema de ined he e aims o main ain b oad applicabili y while enabling
in e ope abili y wi h he on ology de eloped in Measu e 4.1. By es ablishing a consis en ca ego-
iza ion o ene gy simula ion so wa e, his wo k acili a es anspa ency, eusabili y, and e ec i e
knowledge sha ing ac oss he ene gy esea ch communi y.
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Deli e able desc ip ion
In oduc ion
As a i s s ep, a e iew o exis ing so wa e egis ies, bo h om he ene gy domain, and o he
domains, was ca ied ou o unde s and cu en p ac ices and iden i y equi emen s o de eloping
a use ul me ada a schema. The e iew se ed as he basis o de i e and de ine he me ada a
schema equi emen s, ocusing on bo h unc ional and non- unc ional ea u es. The analysis included
e alua ing di e en me ada a schemes o answe key ques ions ega ding exis ing so wa e egis ies:
1. Which a ibu es a e being compa ed o displayed, and whe he a con olled ocabula y is being
used;
2. The a ailabili y and e ec i eness o well-de ined il e s;
3. The possibili y o compa ing di e en en ies;
4. Me hods o adding so wa e o he egis y, such as h ough a wiza d o manual inpu ;
5. The speci ic domain o sub-b anch he egis y se es;
6. The abili y o e e ence ex e nal esou ces, like publica ions o so wa e;
7. The capabili ies and use expe ience o he sea ch unc ionali y; and
8. Pla o m use - iendliness.
These conside a ions ied o co e aspec s such as me ada a co e age, use accessibili y, in e ope -
abili y, and adhe ence o FAIR p inciples. In addi ion, we consul ed communi y guidance on esea ch
so wa e egis ies, in pa icula he a icle Nine bes p ac ices o esea ch so wa e egis ies and
eposi o ies by Ga ijo e al. (2022) [2]. This wo k p o ided aluable p inciples ega ding scope
de ini ion, go e nance, and sus ainabili y, which we used o complemen ou compa a i e e iew o
exis ing egis ies.
Regis ies compa ed
As pa o he equi emen s de ini ion, we analyzed he ollowing egis ies o de i e insigh s abou
hei s uc u e, a ibu es, and use expe ience:
• swMa h [3]: P o ides a comp ehensi e o e iew o ma hema ical so wa e, aiming o imp o e
indabili y by ca ego izing so wa e based on a ious a ibu es and connec ing i wi h ele an
publica ions.
• bio. ools [4], [5]: A egis y ha ocuses on bioin o ma ics ools, suppo ing ad anced il e ing
and sea ch unc ionali y.
• RSD (Resea ch So wa e Di ec o y) [6]: O e s a pla o m o egis e ing and desc ibing esea ch
so wa e, ocusing on linking so wa e o ela ed publica ions and p ojec s.
• DOECODE [7]: A eposi o y o so wa e c ea ed and unded by he U.S. Depa men o
Ene gy, emphasizing open access and anspa ency.
• ML low Model Regis y: A pla o m o manage and o ganize machine lea ning models, p o id-
ing ea u es o e sioning and compa ison.
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• Open Ene gy Pla o m (OEP) [8]: A s uc u ed pla o m o ene gy sys em modeling ha
employs a da abase schema o o ganize me ada a ac oss se en p ima y ca ego ies including
gene al in o ma ion, openness, so wa e cha ac e is ics, co e age, ma hema ical p ope ies,
model in eg a ion, and e e ences. I implemen s p ede ined ca ego ies o model ypes (e.g.,
LP, MILP, Agen -based, Sys em Dynamics) and p o ides ad anced sea ch unc ionali y wi h
agging capabili ies.
• OpenMod Ini ia i e [9]: A communi y-d i en pla o m u ilizing MediaWiki empla es o o -
ganizing ene gy sys em model me ada a. I co e s app oxima ely 80 a ibu es ac oss se en
ca ego ies simila o OEP, bu wi h mo e lexibili y in classi ica ion.1
• Helmhol z So wa e Di ec o y [10]: An implemen a ion o he RSD pla o m speci ically ailo ed
o esea ch so wa e de eloped wi hin he Helmhol z Associa ion, co e ing domains including
ene gy, ea h and en i onmen al sciences, heal h, and space esea ch.
• CoMSES Ne (Ne wo k o Compu a ional Modeling in Social and Ecological Sciences) [11]:
A specialized egis y ocusing on compu a ional models in social and ecological sciences. I
implemen s he CodeMe a s anda d and employs he ODD (O e iew, Design concep s, and
De ails) p o ocol speci ically o agen -based modeling documen a ion.
While e iewing egis ies is aluable o unde s anding implemen a ion p ac ices and use in e ac ion,
i is equally impo an o examine he unde lying me ada a schemas ha hese egis ies adop .
In his con ex , we also conside ed exis ing schema compa isons such as he o e iew p esen ed
by Fe enz e al. [12], which sys ema ically maps and con as s me ada a elemen s ac oss di e en
ini ia i es. Fu he mo e, esul s om he WG RSme a su ey [13] p o ide cu en communi y insigh s
in o me ada a usage, expec a ions, and gaps. These complemen a y pe spec i es ensu e ha ou
equi emen s analysis builds no only on egis y implemen a ions bu also on schema-le el e alua ions
and p ac i ione eedback.
Requi emen s Analysis
F om ou e iew o exis ing egis ies, e alua ion o domain needs, and ea lie wo ks [12], [14], [15],
we de i ed se e al key equi emen s o he me ada a schema:
Co e Me ada a Requi emen s
• Gene ic Fields
–Basic iden i ica ion: name, e sion, au ho s, con ac in o ma ion
–Tempo al in o ma ion: publica ion da e, las modi ica ion da e
–Desc ip i e con en : abs ac , pu pose, documen a ion links
• Domain-Speci ic Fields
–Model cha ac e is ics: simula ion ype, ma hema ical app oach
–Technical speci ica ions: inpu /ou pu o ma s, amewo k compa ibili y
–Implemen a ion de ails: p og amming languages, dependencies
• Con olled Vocabula ies
–So wa e ca ego iza ion (e.g., amewo k, model, in e p e e )
–Model ypes (e.g., agen -based, op imiza ion)
1The OEP was de eloped by membe s o he Open Ene gy Modelling Ini ia i e (openmod) communi y as an ex ension
o hei e o s o manage and dis ibu e open ene gy da a, explaining he high simila i y o model desc ip ions.
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• Resol able Iden i ie s
–Resea ch o ganiza ions (using ROR iden i ie s)
–Au ho iden i ica ion ( ia ORCID)
S uc u al Requi emen s
• Modula Schema Design
–Co e me ada a module o common ields
–Ex ension modules o speci ic model ypes
–Flexible addi ion o domain-speci ic a ibu es
• In e ope abili y Fea u es
–S anda d license iden i ica ion (using, e.g., SPDX iden i ie s)
–Inpu /ou pu speci ica ion (e.g., compa ibili y wi h FMI and Da aDesc)
–Unique pe sis en iden i ie s o so wa e eco ds
–Change acking capabili ies
S akeholde Engagemen and Valida ion
To alida e and e ine hese me ada a equi emen s, we a e o ganizing an in e ac i e wo kshop ha
engages s akeholde s om di e en ene gy simula ion sub-b anches. The wo kshop employs a o a -
ing g oup o ma whe e pa icipan s collabo a i ely iden i y and documen me ada a ields speci ic
o hei domains, such as agen -based simula ions and co-simula ions. Th ough mode a ed discus-
sions, pa icipan s examined unique ea u es essen ial o hei modeling app oaches while explo ing
s anda diza ion oppo uni ies ac oss sub-b anches. This pa icipa o y p ocess aimed o iden i y gaps
in cu en me ada a schemas, assess wo k low in eg a ion needs, and ensu e he schema e ec i ely
se es di e se s akeholde equi emen s while main aining consis ency and in e ope abili y. The wo k-
shop ou comes will di ec ly in o m he u he de elopmen o ou me ada a schema, ensu ing i
comp ehensi ely add esses he p ac ical needs o he ene gy simula ion esea ch communi y.
Conclusion
In he scope o his deli e able, he equi emen s o an ene gy simula ion so wa e me ada a schema
ha e been de ined h ough a compa a i e analysis o exis ing egis ies, and e alua ion o domain-
speci ic (ene gy esea ch so wa e) needs. The equi emen s anged om undamen al en i y iden i i-
ca ion ields, o mo e domain-speci ic a ibu es such as modeling app oaches wi h he ocus on using
con olled ocabula y o ensu e in e ope abili y. We ollowed a modula me ada a design app oach,
which will enable adap abili y ac oss a ious ene gy esea ch b anches.
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Re e ences
[1] P. Schmu , N. Liu, A. Wein, e al.,D4.3.1 echnical equi emen s o me ada a in n di4ene gy
se ices, Feb. 2025. DOI: 10.5281/zenodo.14937740. [Online]. A ailable: h ps://doi.
o g/10.5281/zenodo.14937740.
[2] D. Ga ijo, C. Jones, and e al., “Nine bes p ac ices o esea ch so wa e egis ies and eposi-
o ies: A concise guide,” Pee J Compu e Science, ol. 8, e1023, 2022. DOI: 10.7717/pee j-
cs.1023. [Online]. A ailable: h ps://pee j.com/a icles/cs-1023/.
[3] S. Bönisch, M. B ickens ein, H. Ch apa y, G.-M. G euel, and W. Spe be , Swma h - a new
in o ma ion se ice o ma hema ical so wa e, 2013. a Xi : 1306.1036 [cs.DL]. [Online].
A ailable: h ps://a xi .o g/abs/1306.1036.
[4] J. Ison, K. Rapacki, H. Ménage , e al., “Tools and da a se ices egis y: A communi y e o
o documen bioin o ma ics esou ces,” Nucleic Acids Resea ch, ol. 44, no. D1, pp. D38–D47,
No . 2015, ISSN: 0305-1048. DOI: 10.1093/na /gk 1116. ep in : h ps://academic.
oup.com/na /a icle-pd /44/D1/D38/9482499/gk 1116.pd . [Online]. A ailable:
h ps://doi.o g/10.1093/na /gk 1116.
[5] J. Ison, H. Ienasescu, P. Chmu a, e al., “The bio. ools egis y o so wa e ools and da a
esou ces o he li e sciences,” en, Genome Biol., ol. 20, no. 1, p. 164, Aug. 2019.
[6] E. J. Cahen, D. Mija o ic, J. G. Gonzalez, e al.,Resea ch so wa e di ec o y (as a se ice),
e sion 2.25.0, Released on 2024-11-22. Main con ibu o s include Ne he lands eScience Cen-
e and Helmhol z Cen e Po sdam - GFZ Ge man Resea ch Cen e o Geosciences. Reposi-
o y:h ps://gi hub.com/ esea ch-so wa e-di ec o y/RSD-as-a-se ice., 2024.
DOI: 10 . 5281 / zenodo . 6379973. [Online]. A ailable: h ps : / / esea ch - so wa e -
di ec o y.o g.
[7] U.S. Depa men o Ene gy, Di ec i e 241.1C: Scien i ic and Technical In o ma ion Manage-
men , Accessed: 2025-01-15, 2024. [Online]. A ailable: h ps://www.di ec i es.doe.go /
di ec i es-documen s/200-se ies/0241.1-bo de -c/@@images/ ile.
[8] L. Hülk, M. Glaue , J. Hube , and C. Winge , Open ene gy amily - open ene gy pla o m (oep),
e sion 1.0.5, Reine Lemoine Ins i u , O o- on-Gue icke-Uni e si y Magdebu g, Öko-Ins i u ,
No . 2024. [Online]. A ailable: h ps://gi hub.com/OpenEne gyPla o m/oepla o m/.
[9] Openmod - Open Ene gy Modelling Ini ia i e — openmod-ini ia i e.o g,h ps : / / www .
openmod-ini ia i e.o g/, [Accessed 15-01-2025].
[10] C. Meeßen, M. Rüs e , M. Hanisch, and N. Ziegne , Helmhol z esea ch so wa e di ec o y,
e sion hi is-1.5.0, Feb. 2023. DOI: 10.5281/zenodo.7638663. [Online]. A ailable: h ps:
//doi.o g/10.5281/zenodo.7638663.
[11] M. A. Janssen, L. N. Alessa, M. Ba on, S. Be gin, and A. Lee, “Towa ds a communi y ame-
wo k o agen -based modelling,” Jou nal o A i icial Socie ies and Social Simula ion, ol. 11,
no. 2, p. 6, 2008. [Online]. A ailable: h ps://jasss.soc.su ey.ac.uk/11/2/6.h ml.
[12] S. Fe enz, O. We h, and A. Nieße, “Requi emen s o a Me ada a Scheme o Enable FAIR
Ene gy Resea ch So wa e,” Elec onic Communica ions o he EASST, ol. 83, Feb. 2025,
ISSN: 1863-2122. DOI: 10.14279/eceass . 83.2594. ( isi ed on 02/24/2025).
[13] L. J. Cas o, S. Fe enz, H. Hajiabadi, e al.,Resul s on a su ey on esea ch so wa e me ada a
in he n di conso ia, Aug. 2024. DOI: 10 . 5281 / zenodo . 12704414. [Online]. A ailable:
h ps://doi.o g/10.5281/zenodo.12704414.
[14] S. Fe enz and A. Nieße, “Towa ds imp o ed indabili y o ene gy esea ch so wa e by in o-
ducing a me ada a-based egis y,” 2023.
[15] P. Kucke z, J. Göp e , O. Ka as, e al.,A me ada a-based ecosys em o imp o e he ai ness
o esea ch so wa e, 2023. a Xi : 2306.10620 [cs.SE]. [Online]. A ailable: h ps://a xi .
o g/abs/2306.10620.
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