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diff --git a/CNAME b/CNAME new file mode 100644 index 0000000000000..684fa7604d71f --- /dev/null +++ b/CNAME @@ -0,0 +1 @@ +research.astrid-klipfel.net \ No newline at end of file diff --git a/articles/diff-aaai24.pdf b/articles/diff-aaai24.pdf new file mode 100644 index 0000000000000..2abb7ea1ace27 Binary files /dev/null and b/articles/diff-aaai24.pdf differ diff --git a/articles/empnn-aaai23.pdf b/articles/empnn-aaai23.pdf new file mode 100644 index 0000000000000..27349ee6dd006 Binary files /dev/null and b/articles/empnn-aaai23.pdf differ diff --git a/articles/gemsnet-ijcai23.pdf b/articles/gemsnet-ijcai23.pdf new file mode 100644 index 0000000000000..12baf4f6d684d Binary files /dev/null and b/articles/gemsnet-ijcai23.pdf differ diff --git a/articles/graph-ijcai23.pdf b/articles/graph-ijcai23.pdf new file mode 100644 index 0000000000000..66b5dba10c42e Binary files /dev/null and b/articles/graph-ijcai23.pdf differ diff --git a/images/articles/diffusion.svg b/images/articles/diffusion.svg new file mode 100644 index 0000000000000..465cf4c80832f --- /dev/null +++ b/images/articles/diffusion.svg @@ -0,0 +1,9969 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/images/articles/groups.svg b/images/articles/groups.svg new file mode 100644 index 0000000000000..bdeeea178fb0c --- /dev/null +++ b/images/articles/groups.svg @@ -0,0 +1,2235 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + image/svg+xml + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/images/articles/vector_fields.png b/images/articles/vector_fields.png new file mode 100644 index 0000000000000..faa54bc8a0f06 Binary files /dev/null and b/images/articles/vector_fields.png differ diff --git a/images/profile.png b/images/profile.png new file mode 100644 index 0000000000000..943578911d6bc Binary files /dev/null and b/images/profile.png differ diff --git a/index.html b/index.html new file mode 100644 index 0000000000000..05623bbf101f3 --- /dev/null +++ b/index.html @@ -0,0 +1,198 @@ + + + + + + + Astrid Klipfel + + + + + + + + +
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+ Astrid Klipfel +
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Presentation

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+ Astrid Klipfel +
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Presentation

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Lorem ipsum dolor sit amet, consectetur adipiscing elit, sed do eiusmod tempor incididunt ut labore et dolore magna aliqua. Ut enim ad minim veniam, quis nostrud exercitation ullamco laboris nisi ut aliquip ex ea commodo consequat. Duis aute irure dolor in reprehenderit in voluptate velit esse cillum dolore eu fugiat nulla pariatur. Excepteur sint occaecat cupidatat non proident, sunt in culpa qui officia deserunt mollit anim id est laborum.

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Sed ut perspiciatis unde omnis iste natus error sit voluptatem accusantium doloremque laudantium, totam rem aperiam, eaque ipsa quae ab illo inventore veritatis et quasi architecto beatae vitae dicta sunt explicabo. Nemo enim ipsam voluptatem quia voluptas sit aspernatur aut odit aut fugit, sed quia consequuntur magni dolores eos qui ratione voluptatem sequi nesciunt. Neque porro quisquam est, qui dolorem ipsum quia dolor sit amet, consectetur, adipisci velit, sed quia non numquam eius modi tempora incidunt ut labore et dolore magnam aliquam quaerat voluptatem. Ut enim ad minima veniam, quis nostrum exercitationem ullam corporis suscipit laboriosam, nisi ut aliquid ex ea commodi consequatur? Quis autem vel eum iure reprehenderit qui in ea voluptate velit esse quam nihil molestiae consequatur, vel illum qui dolorem eum fugiat quo voluptas nulla pariatur?

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+ + + \ No newline at end of file diff --git a/processed_images/profile.52f975419c297b98.png b/processed_images/profile.52f975419c297b98.png new file mode 100644 index 0000000000000..97cc3486271cf Binary files /dev/null and b/processed_images/profile.52f975419c297b98.png differ diff --git a/publications/diff-aaai24/index.html b/publications/diff-aaai24/index.html new file mode 100644 index 0000000000000..690684f0a8348 --- /dev/null +++ b/publications/diff-aaai24/index.html @@ -0,0 +1,206 @@ + + + + + + + Astrid Klipfel + + + + + + + + +
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+ Astrid Klipfel +
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+ + +
+ + +

Vector Field Oriented Diffusion Model for Crystal Material Generation

+

This article proposes a new diffusion model for materials science. The diffusion process is performed on both atomic position and lattice shape and is based on a MPNN and vector fields.

+

diffusion

+
+

Diffusion process on periodic materials

+
+

How to cite

+
@article{klipfel_diff_aaai_2024,
+    author={Astrid Klipfel and Ya{\"{e}}l Fr{\'{e}}gier and Adlane Sayede and Zied Bouraoui},
+    title={Vector Field Oriented Diffusion Model for Crystal Material Generation},
+    year={2024},
+    journal={Proceedings of the AAAI Conference on Artificial Intelligence}
+}
+
+ + +
+ +
+ + + \ No newline at end of file diff --git a/publications/empnn-aaai23/index.html b/publications/empnn-aaai23/index.html new file mode 100644 index 0000000000000..f5c10c7fd8b9f --- /dev/null +++ b/publications/empnn-aaai23/index.html @@ -0,0 +1,212 @@ + + + + + + + Astrid Klipfel + + + + + + + + +
+
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+ Astrid Klipfel +
+ + + + + + +
+ +
+ +
+
+ +
+ + +
+ + +

Equivariant message passing neural network for crystal material discovery

+

This article is about how to construct an equivariant action on the lattice of a crystal (periodic material). It also discusses the $$\text{SL}_3(\mathbb{Z})$$ group action on crystals.

+

commutative diagram

+
+

Commutative diagram of $$\text{SL}_2(\mathbb{Z})$$ and $$\text{Euc}(2)$$

+
+

How to cite

+
@article{klipfel_empnn_aaai_2023,
+    title={Equivariant Message Passing Neural Network for Crystal Material Discovery},
+    volume={37},
+    url={https://ojs.aaai.org/index.php/AAAI/article/view/26673},
+    DOI={10.1609/aaai.v37i12.26673},
+    number={12},
+    journal={Proceedings of the AAAI Conference on Artificial Intelligence},
+    author={Klipfel, Astrid and Bouraoui, Zied and Peltre, Olivier and Fregier, Yaël and Harrati, Najwa and Sayede, Adlane},
+    year={2023},
+    month={Jun.},
+    pages={14304-14311}
+}
+
+ + +
+ +
+ + + \ No newline at end of file diff --git a/publications/gemsnet-ijcai23/index.html b/publications/gemsnet-ijcai23/index.html new file mode 100644 index 0000000000000..9bf02fdeb1f1d --- /dev/null +++ b/publications/gemsnet-ijcai23/index.html @@ -0,0 +1,209 @@ + + + + + + + Astrid Klipfel + + + + + + + + +
+
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+ Astrid Klipfel +
+ + + + + + +
+ +
+ +
+
+ +
+ + +
+ + +

Unified Model for Crystalline Material Generation

+

In this paper we have proposed an equivariant message passing neural network for periodic materials. Our proposed model is based on GemNet and can act on both atomic position and lattice shape.

+

commutative diagram

+
+

Vector fields of the lattice parameters

+
+

How to cite

+
@inproceedings{klipfel_gemsnet_ijcai_2023,
+  author       = {Astrid Klipfel and Ya{\"{e}}l Fr{\'{e}}gier and Adlane Sayede and Zied Bouraoui},
+  title        = {Unified Model for Crystalline Material Generation},
+  booktitle    = {Proceedings of the Thirty-Second International Joint Conference on Artificial Intelligence, {IJCAI} 2023, 19th-25th August 2023, Macao, SAR, China},
+  pages        = {6031--6039},
+  year         = {2023},
+  url          = {https://doi.org/10.24963/ijcai.2023/669},
+  doi          = {10.24963/IJCAI.2023/669},
+}
+
+ + +
+ +
+ + + \ No newline at end of file diff --git a/publications/graph-ijcai23/index.html b/publications/graph-ijcai23/index.html new file mode 100644 index 0000000000000..8a65a28f10a4c --- /dev/null +++ b/publications/graph-ijcai23/index.html @@ -0,0 +1,203 @@ + + + + + + + Astrid Klipfel + + + + + + + + +
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+ Astrid Klipfel +
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+ + +

Optimized crystallographic graph generation for material science

+

Github repository

+

This article presents a Python package for generating graphs of periodic materials on a GPU. The package is compatible with pytorch.

+

How to cite

+
@article{DBLP:journals/corr/abs-2307-05380,
+    author       = {Astrid Klipfel and Ya{\"{e}}l Fr{\'{e}}gier and Adlane Sayede and Zied Bouraoui},
+    title        = {Optimized Crystallographic Graph Generation for Material Science},
+    booktitle    = {Proceedings of the Thirty-Second International Joint Conference on Artificial Intelligence, {IJCAI} 2023, 19th-25th August 2023, Macao, SAR, China},
+    year         = {2023},
+}
+
+ + +
+ +
+ + + \ No newline at end of file diff --git a/publications/index.html b/publications/index.html new file mode 100644 index 0000000000000..5491ad4e60f67 --- /dev/null +++ b/publications/index.html @@ -0,0 +1,331 @@ + + + + + + + Astrid Klipfel + + + + + + + + +
+
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+ Astrid Klipfel +
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+ + +
+ + +

Publications

+ + + + + + + + + + + + +
+ +
+ + + \ No newline at end of file diff --git a/resume/resume_astrid_klipfel.pdf b/resume/resume_astrid_klipfel.pdf new file mode 100644 index 0000000000000..08c2196aecab9 Binary files /dev/null and b/resume/resume_astrid_klipfel.pdf differ diff --git a/robots.txt b/robots.txt new file mode 100644 index 0000000000000..70f2b0d6f03b7 --- /dev/null +++ b/robots.txt @@ -0,0 +1,4 @@ +User-agent: * +Disallow: +Allow: / +Sitemap: https://research.astrid-klipfel.net/sitemap.xml diff --git a/sitemap.xml b/sitemap.xml new file mode 100644 index 0000000000000..3126fe91f9638 --- /dev/null +++ b/sitemap.xml @@ -0,0 +1,42 @@ + + + + https://research.astrid-klipfel.net/ + + + https://research.astrid-klipfel.net/presentation/ + + + https://research.astrid-klipfel.net/publications/ + + + https://research.astrid-klipfel.net/publications/diff-aaai24/ + 2024-02-01 + + + https://research.astrid-klipfel.net/publications/empnn-aaai23/ + 2023-02-01 + + + https://research.astrid-klipfel.net/publications/gemsnet-ijcai23/ + 2023-08-01 + + + https://research.astrid-klipfel.net/publications/graph-ijcai23/ + 2023-08-01 + + + https://research.astrid-klipfel.net/talks/ + + + https://research.astrid-klipfel.net/talks/materiaux-2022/ + 2022-10-24 + + + https://research.astrid-klipfel.net/talks/strl-2022/ + 2022-07-24 + + + https://research.astrid-klipfel.net/teaching/ + + diff --git a/style.css b/style.css new file mode 100644 index 0000000000000..10d8673b5d340 --- /dev/null +++ b/style.css @@ -0,0 +1 @@ +a{text-decoration:none;color:inherit !important}ul{list-style:none}.header{color:#7a8288;padding:0;margin-bottom:1em;border-bottom:1px solid #f2f3f3;display:grid;grid-template-columns:repeat(12, 1fr);grid-template-rows:4em}.header .home{grid-column:1/10;margin-left:1em;margin-top:auto;margin-bottom:auto;font-size:x-large}.header .home a{width:6em;font-weight:bold}.header 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800px){.sidebar{font-size:small}.sidebar>div{margin-right:1em;margin-left:auto;flex-direction:column;min-width:140px;width:75%;max-width:200px}.sidebar>div div{margin:10px}.sidebar>div .avatar img{width:100%}.sidebar>div .description h3{display:block;margin-left:10px;margin-top:0;margin-bottom:.5em}.sidebar>div .description div{font-size:small}.sidebar>div .contact{display:block}}body{width:100%;padding:0;margin:0;color:#494e52;font-family:-apple-system,".SFNSText-Regular","San Francisco","Roboto","Segoe UI","Helvetica Neue","Lucida Grande",Arial,sans-serif;line-height:1.5}.main{margin:0em 1em;display:grid;grid-template-columns:repeat(12, 1fr)}.sidebar{grid-column:1/13}.content{grid-column:1/13;padding-left:1em;padding-right:1em}.content code{text-wrap:pretty;white-space:pre-line}.content>h1{font-size:xx-large}.content>h2{font-size:x-large}.content>h3{font-size:large}.content>p{font-size:medium;text-align:justify}.content>blockquote{margin:.3em;text-align:center;font-style:italic}.content img{display:block;margin-left:auto;margin-right:auto;width:100%}@media screen and (min-width: 800px){.content img{width:80%}}.pdf{all:revert;color:revert !important}.date{margin:.5em;color:grey;font-size:small}.info{margin:.5em;font-size:medium;font-style:italic}article.item h2{margin-bottom:.2em}@media screen and (min-width: 800px){.sidebar{grid-column:1/4}.content{padding-left:2em;padding-right:2em;grid-column:4/12}}@media screen and (min-width: 1200px){.sidebar{grid-column:1/3}.content{padding-left:2em;padding-right:2em;grid-column:3/11}} \ No newline at end of file diff --git a/talks/index.html b/talks/index.html new file mode 100644 index 0000000000000..4b04d19695b35 --- /dev/null +++ b/talks/index.html @@ -0,0 +1,255 @@ + + + + + + + Astrid Klipfel + + + + + + + + +
+
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+ Astrid Klipfel +
+ + + + + + +
+ +
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+
+ +
+ + +
+ + +

Talks

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+ +
+ + + \ No newline at end of file diff --git a/talks/materiaux-2022/index.html b/talks/materiaux-2022/index.html new file mode 100644 index 0000000000000..0af6f5f31b468 --- /dev/null +++ b/talks/materiaux-2022/index.html @@ -0,0 +1,196 @@ + + + + + + + Astrid Klipfel + + + + + + + + +
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+ Astrid Klipfel +
+ + + + + + +
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+ + +
+ + +

Periodic equivariant graph neural network (PEGNN) for crystalin system

+

Date: October 24, 2022

+

Location: Matériaux 2022, Lille, France

+

This talk presented insights into building equivariant machine learning models for periodic materials.

+ + +
+ +
+ + + \ No newline at end of file diff --git a/talks/strl-2022/index.html b/talks/strl-2022/index.html new file mode 100644 index 0000000000000..2f62ad7e9a3d8 --- /dev/null +++ b/talks/strl-2022/index.html @@ -0,0 +1,209 @@ + + + + + + + Astrid Klipfel + + + + + + + + +
+
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+ Astrid Klipfel +
+ + + + + + +
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+ +
+ + +
+ + +

Equivariant Graph Neural Network for Crystalline Materials

+

Date: July 24, 2022

+

Location: 1st International Workshop on Spatio-Temporal Reasoning and Learning

+

This talk discusses the challenge of representing periodic materials and building equivariant machine learning models.

+

How to cite:

+
@inproceedings{klipfel_equ_strl_2022,
+  author       = {Astrid Klipfel and Zied Bouraoui and Ya{\"{e}}l Fr{\'{e}}gier and Adlane Sayede},
+  editor       = {Michael Sioutis and Zhiguo Long and John G. Stell and Jochen Renz},
+  title        = {Equivariant Graph Neural Network for Crystalline Materials (Invited Paper)},
+  booktitle    = {Proceedings of the 1st International Workshop on Spatio-Temporal Reasoning and Learning ({STRL} 2022), Vienna, Austria, July 24, 2022},
+  series       = {CEUR Workshop Proceedings},
+  volume       = {3190},
+  publisher    = {CEUR-WS.org},
+  year         = {2022},
+  url          = {https://ceur-ws.org/Vol-3190/invited1.pdf},
+}
+
+ + +
+ +
+ + + \ No newline at end of file diff --git a/teaching/index.html b/teaching/index.html new file mode 100644 index 0000000000000..94f9ada16c23e --- /dev/null +++ b/teaching/index.html @@ -0,0 +1,203 @@ + + + + + + + Astrid Klipfel + + + + + + + + +
+
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+ Astrid Klipfel +
+ + + + + + +
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+ +
+ + +
+ + +

Teaching

+

Algorithm

+

2020–2024, Undergraduate program, Computer Science department, tutorials and labs session

+

C language

+

2023, Undergraduate program, Computer Science department, labs session

+

Object-Oriented Programming

+

2022 and 2024, Undergraduate program, Computer Science department, tutorials and labs session

+

Machine learning applied to Biochemistry

+

2023–2024, Graduate program, Biologie department, lectures and labs session

+

Machine learning

+

2024, Graduate program, Computer Science department, lectures and labs session

+ + +
+ +
+ + + \ No newline at end of file