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content/publications.md

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### 2025
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- [*On the Expressivity of Persistent Homology in Graph Learning*](https://proceedings.mlr.press/v269/ballester25a.html)<br />
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R.&nbsp;Ballester and B.&nbsp;Rieck<br />
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Proceedings of the Third Learning on Graphs Conference, Volume 269, pp. 42:1--42:31, 2025<br />
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<small>[\[Preprint\]](https://arxiv.org/abs/2302.09826) &bull; [\[BibTeX\]](Ballester25b.bib)</small>
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- [*CliquePH: Higher-Order Information for Graph Neural Networks Through Persistent Homology on Clique Graphs*](https://proceedings.mlr.press/v269/buffelli25a.html)<br />
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D.&nbsp;Buffelli<sup>&dagger;</sup>, F.&nbsp;Soleymani<sup>&dagger;</sup>, and B.&nbsp;Rieck<br />
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Proceedings of the Third Learning on Graphs Conference, Volume 269, pp. 45:1--45:17, 2025<br />
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<small>[\[Preprint\]](https://arxiv.org/abs/2409.08217) &bull; [\[BibTeX\]](Buffelli25a.bib)</small>
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- [*Stable and Accurate Orbital-Free Density Functional Theory Powered by Machine Learning*](https://dx.doi.org/10.1021/jacs.5c06219)<br />
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R.&nbsp;Remme, T.&nbsp;Kaczun, T.&nbsp;Ebert, C.&thinsp;A.&nbsp;Gehrig, D.&nbsp;Geng, G.&nbsp;Gerhartz, M.&thinsp;K.&nbsp;Ickler, M.&thinsp;V.&nbsp;Klockow, P.&nbsp;Lippmann, J.&thinsp;S.&nbsp;Schmidt, S.&nbsp;Wagner, A.&nbsp;Dreuw, and F.&thinsp;A.&nbsp;Hamprecht<br />
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Journal of the American Chemical Society, 2025<br />
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<small>[\[Preprint\]](https://arxiv.org/abs/2503.00443) &bull; [\[BibTeX\]](Remme25a.bib)</small>
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- *A Topological Molecular Representation for Molecular Learning Based on the Euler Characteristic Transform*<br />
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V.&nbsp;Toscano-Duran and B.&nbsp;Rieck<br />
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ECML PKDD Workshop on Mining and Learning with Graphs, 2025<br />
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### 2024
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- [*CliquePH: Higher-Order Information for Graph Neural Networks Through Persistent Homology on Clique Graphs*](https://arxiv.org/abs/2409.08217)<br />
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D.&nbsp;Buffelli<sup>&dagger;</sup>, F.&nbsp;Soleymani<sup>&dagger;</sup>, and B.&nbsp;Rieck<br />
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Proceedings of the Third Learning on Graphs Conference, 2024 (in press)<br />
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<small>[\[Preprint\]](https://arxiv.org/abs/2409.08217) &bull; [\[BibTeX\]](Buffelli24a.bib)</small>
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- [*Bayesian Computation Meets Topology*](https://openreview.net/forum?id=0h1DtRK6dA)<br />
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J.&nbsp;von Rohrscheidt, B.&nbsp;Rieck<sup>&Dagger;</sup>, and S.&thinsp;M.&nbsp;Schmon<sup>&Dagger;</sup><br />
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Transactions on Machine Learning Research, 2024<br />
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E.&nbsp;Röell and B.&nbsp;Rieck<br />
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Preprint, 2024<br />
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<small>[\[Preprint\]](https://arxiv.org/abs/2410.18987) &bull; [\[BibTeX\]](Roell24b.bib)</small>
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- [*On the Expressivity of Persistent Homology in Graph Learning*](https://arxiv.org/abs/2302.09826)<br />
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R.&nbsp;Ballester and B.&nbsp;Rieck<br />
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Proceedings of the Third Learning on Graphs Conference, 2024 (in press)<br />
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<small>[\[Preprint\]](https://arxiv.org/abs/2302.09826) &bull; [\[BibTeX\]](Ballester24a.bib)</small>
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- [*Metric Space Magnitude for Evaluating the Diversity of Latent Representations*](https://papers.nips.cc/paper_files/paper/2024/hash/dfc24bd3ec5d74960e104268bbb52849-Abstract-Conference.html)<br />
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K.&nbsp;Limbeck, R.&nbsp;Andreeva, R.&nbsp;Sarkar, and B.&nbsp;Rieck<br />
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Advances in Neural Information Processing Systems, Volume 37, pp. 123911--123953, 2024<br />
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S.&nbsp;Kališnik, B.&nbsp;Rieck, and A.&nbsp;Žegarac<br />
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Preprint, 2024<br />
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<small>[\[Preprint\]](https://arxiv.org/abs/2408.11450) &bull; [\[BibTeX\]](Kalisnik24a.bib)</small>
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- [*Applied and Combinatorial Topology (Dagstuhl Seminar 24092)*](https://dx.doi.org/10.4230/DagRep.14.2.206)<br />
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P.&nbsp;Dłotko, D.&nbsp;Feichtner-Kozlov, A.&nbsp;Stefanou, Y.&nbsp;Wang, and J.&thinsp;F.&nbsp;Senge<br />
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Dagstuhl Reports, Volume 14, Number 2, pp. 206--239, 2024<br />
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<small>[\[BibTeX\]](Dlotko24a.bib)</small>
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- [*Position: Topological Deep Learning Is the New Frontier for Relational Learning*](https://proceedings.mlr.press/v235/papamarkou24a.html)<br />
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T.&nbsp;Papamarkou, T.&nbsp;Birdal, M.&nbsp;Bronstein, G.&nbsp;Carlsson, J.&nbsp;Curry, Y.&nbsp;Gao, M.&nbsp;Hajij, R.&nbsp;Kwitt, P.&nbsp;Liò, P.&nbsp;Di Lorenzo, V.&nbsp;Maroulas, N.&nbsp;Miolane, F.&nbsp;Nasrin, K.&thinsp;N.&nbsp;Ramamurthy, B.&nbsp;Rieck, S.&nbsp;Scardapane, M.&thinsp;T.&nbsp;Schaub, P.&nbsp;Veličković, B.&nbsp;Wang, Y.&nbsp;Wang, G.&nbsp;Wei, and G.&nbsp;Zamzmi<br />
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Proceedings of the 41st International Conference on Machine Learning, Volume 235, pp. 39529--39555, 2024<br />
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@inproceedings{Ballester24a,
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@inproceedings{Ballester25b,
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archiveprefix = {arXiv},
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author = {Rubén Ballester and Bastian Rieck},
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author+an = {2=highlight},
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booktitle = {Proceedings of the Third Learning on Graphs Conference},
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editor = {Wolf, Guy and Krishnaswamy, Smita},
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eprint = {2302.09826},
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pages = {42:1--42:31},
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primaryclass = {cs.LG},
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pubstate = {inpress},
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publisher = {PMLR},
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series = {Proceedings of Machine Learning Research},
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title = {On the Expressivity of Persistent Homology in Graph Learning},
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year = {2024},
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url = {https://proceedings.mlr.press/v269/ballester25a.html},
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volume = {269},
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year = {2025},
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}
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@inproceedings{Buffelli24a,
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@inproceedings{Buffelli25a,
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archiveprefix = {arXiv},
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author = {Davide Buffelli and Farzin Soleymani and Bastian Rieck},
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author+an = {1=first; 2=first; 3=highlight},
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booktitle = {Proceedings of the Third Learning on Graphs Conference},
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editor = {Wolf, Guy and Krishnaswamy, Smita},
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eprint = {2409.08217},
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pages = {45:1--45:17},
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primaryclass = {cs.LG},
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pubstate = {inpress},
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publisher = {PMLR},
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series = {Proceedings of Machine Learning Research},
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title = {{CliquePH}: Higher-Order Information for Graph Neural Networks through Persistent Homology on Clique Graphs},
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year = {2024},
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url = {https://proceedings.mlr.press/v269/buffelli25a.html},
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volume = {269},
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year = {2025},
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}

static/research/Dlotko24a.bib

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@article{Dlotko24a,
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address = {Dagstuhl, Germany},
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author = {D{\l}otko, Pawe{\l} and Feichtner-Kozlov, Dmitry and Stefanou, Anastasios and Wang, Yusu and Senge, Jan F},
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doi = {10.4230/DagRep.14.2.206},
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editor = {D{\l}otko, Pawe{\l} and Feichtner-Kozlov, Dmitry and Stefanou, Anastasios and Wang, Yusu and Senge, Jan F},
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issn = {2192-5283},
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journal = {Dagstuhl Reports},
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number = {2},
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pages = {206--239},
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publisher = {Schloss Dagstuhl -- Leibniz-Zentrum f{\"u}r Informatik},
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title = {{Applied and Combinatorial Topology (Dagstuhl Seminar 24092)}},
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urn = {urn:nbn:de:0030-drops-205059},
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volume = {14},
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year = {2024},
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}

static/research/Remme25a.bib

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@article{Remme25a,
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archiveprefix = {arXiv},
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author = {Remme, Roman and Kaczun, Tobias and Ebert, Tim and Gehrig, Christof A. and Geng, Dominik and Gerhartz, Gerrit and Ickler, Marc K. and Klockow, Manuel V. and Lippmann, Peter and Schmidt, Johannes S. and Wagner, Simon and Dreuw, Andreas and Hamprecht, Fred A.},
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doi = {10.1021/jacs.5c06219},
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eprint = {2503.00443},
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journal = {Journal of the American Chemical Society},
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primaryclass = {physics.chem-ph},
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title = {Stable and Accurate Orbital-Free Density Functional Theory Powered by Machine Learning},
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year = {2025},
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}

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