---
OA_place: publisher
_id: '18766'
abstract:
- lang: eng
  text: Poxviruses are large pleomorphic double-stranded DNA viruses that include
    well known members such as variola virus, the causative agent of smallpox, Mpox
    virus, as well as Vaccinia virus (VACV), which serves as a vaccination strain
    for formerly mentioned viruses. VACV is a valuable model for studying large pleomorphic
    DNA viruses in general and poxviruses specifically, as many features, such as
    core morphology and structural proteins, are well conserved within this family.
    Despite decades of research, our understanding of the structural components and
    proteins that comprise the poxvirus core in mature virions remains limited. Although
    major core proteins were identified via indirect experimental evidence, the core's
    complexity, with its large size, structure and number of involved proteins, has
    hindered efforts to achieve high-resolution insights and to define the roles of
    the individual proteins. The specific protein composition of the core's individual
    layers, including the palisade layer and the inner core wall, has remained unclear.
    In this study, we have merged multiple approaches, including single particle cryo
    electron microscopy of purified virus cores, cryo-electron tomography and subtomogram
    averaging of mature virions and molecular modeling to elucidate the structural
    determinants of the VACV core. Due to the lack of experimentally derived structures,
    either in situ or reconstituted in vitro, we used Alphafold to predict models
    of the putative major core protein candidates, A10, 23k, A3, A4, and L4. Our results
    show that the VACV core is composed of several layers with varying local symmetries,
    forming more intricate interactions than observed previously. This allowed us
    to identify several molecular building blocks forming the viral core lattice.
    In particular, we identified trimers of protein A10 as a major core structure
    that forms the palisade layer of the viral core. Additionally, we revealed that
    six petals of a flower shaped core pore within the core wall are composed of A10
    trimers. Furthermore, we obtained a cryo-EM density for the inner core wall that
    could potentially accommodate an A3 dimer. Integrating descriptions of protein
    interactions from previous studies enabled us to provide a detailed structural
    model of the poxvirus core wall, and our findings indicate that the interactions
    within A10 trimers are likely consistent across orthopox- and parapoxviruses.
    This combined application of cryo-SPA and cryo-ET can help overcome obstacles
    in studying complex virus structures in the future, including their key assembly
    proteins, interactions, and the formation into a core lattice. Our work provides
    important fundamental new insights into poxvirus core architecture, also considering
    the recent re-emergence of poxviruses.
acknowledged_ssus:
- _id: EM-Fac
- _id: LifeSc
- _id: ScienComp
acknowledgement: "This work was funded by the Austrian Science Fund (FWF) grant P31445
  and ISTA. I\r\nwould like to express my gratitude to the Scientific Service Units,
  particularly the Lab\r\nSupport Facility, the Scientific Computing Facility and
  the Electron Microscopy Facility\r\nfor their tremendous support. I want to especially
  thank Alois for assisting me with the\r\ninstallation of countless new software
  and for troubleshooting cluster issues. A special\r\nthanks goes to Valentin for
  his outstanding support in cryo-EM data acquisition and\r\nhis ongoing help in improving
  the process to ensure that I obtained the best possible\r\ndata from my sample."
alternative_title:
- ISTA thesis
article_processing_charge: No
author:
- first_name: Julia
  full_name: Datler, Julia
  id: 3B12E2E6-F248-11E8-B48F-1D18A9856A87
  last_name: Datler
  orcid: 0000-0002-3616-8580
citation:
  ama: Datler J. Elucidating the structural determinants of the poxvirus core using
    multi-modal cryo-EM. 2024. doi:<a href="https://doi.org/10.15479/at:ista:18766">10.15479/at:ista:18766</a>
  apa: Datler, J. (2024). <i>Elucidating the structural determinants of the poxvirus
    core using multi-modal cryo-EM</i>. Institute of Science and Technology Austria.
    <a href="https://doi.org/10.15479/at:ista:18766">https://doi.org/10.15479/at:ista:18766</a>
  chicago: Datler, Julia. “Elucidating the Structural Determinants of the Poxvirus
    Core Using Multi-Modal Cryo-EM.” Institute of Science and Technology Austria,
    2024. <a href="https://doi.org/10.15479/at:ista:18766">https://doi.org/10.15479/at:ista:18766</a>.
  ieee: J. Datler, “Elucidating the structural determinants of the poxvirus core using
    multi-modal cryo-EM,” Institute of Science and Technology Austria, 2024.
  ista: Datler J. 2024. Elucidating the structural determinants of the poxvirus core
    using multi-modal cryo-EM. Institute of Science and Technology Austria.
  mla: Datler, Julia. <i>Elucidating the Structural Determinants of the Poxvirus Core
    Using Multi-Modal Cryo-EM</i>. Institute of Science and Technology Austria, 2024,
    doi:<a href="https://doi.org/10.15479/at:ista:18766">10.15479/at:ista:18766</a>.
  short: J. Datler, Elucidating the Structural Determinants of the Poxvirus Core Using
    Multi-Modal Cryo-EM, Institute of Science and Technology Austria, 2024.
corr_author: '1'
date_created: 2025-01-07T10:23:12Z
date_published: 2024-12-30T00:00:00Z
date_updated: 2026-04-07T12:59:44Z
day: '30'
ddc:
- '570'
degree_awarded: PhD
department:
- _id: GradSch
- _id: FlSc
doi: 10.15479/at:ista:18766
file:
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  checksum: 3e51cab327c754045c3d29c1a50cc9a9
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  date_created: 2025-01-07T12:15:11Z
  date_updated: 2025-01-07T12:15:11Z
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  date_updated: 2025-01-07T12:15:14Z
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  file_size: 12044865
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  success: 1
file_date_updated: 2025-01-07T12:15:14Z
has_accepted_license: '1'
keyword:
- cryo-EM
- cryo-ET
- cryo-SPA
- Structural Virology
- Poxvirus
- Vaccinia Virus
- Structural Biology
language:
- iso: eng
license: https://creativecommons.org/licenses/by-nc-nd/4.0/
month: '12'
oa: 1
oa_version: Published Version
page: '106'
project:
- _id: 26736D6A-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: P31445
  name: Structural conservation and diversity in retroviral capsid
publication_identifier:
  isbn:
  - 978-3-99078-049-7
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '12334'
    relation: part_of_dissertation
    status: public
  - id: '14979'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Florian KM
  full_name: Schur, Florian KM
  id: 48AD8942-F248-11E8-B48F-1D18A9856A87
  last_name: Schur
  orcid: 0000-0003-4790-8078
title: Elucidating the structural determinants of the poxvirus core using multi-modal
  cryo-EM
tmp:
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  name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
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  short: CC BY-NC-ND (4.0)
type: dissertation
user_id: ba8df636-2132-11f1-aed0-ed93e2281fdd
year: '2024'
...
---
OA_place: publisher
OA_type: gold
_id: '18847'
abstract:
- lang: eng
  text: "Machine Learning and AI have the potential to transform data-driven\r\nscientific
    discovery, enabling accurate predictions for several scientific\r\nphenomena.
    As many scientific questions are inherently causal, this paper looks\r\nat the
    causal inference task of treatment effect estimation, where the outcome\r\nof
    interest is recorded in high-dimensional observations in a Randomized\r\nControlled
    Trial (RCT). Despite being the simplest possible causal setting and\r\na perfect
    fit for deep learning, we theoretically find that many common choices\r\nin the
    literature may lead to biased estimates. To test the practical impact of\r\nthese
    considerations, we recorded ISTAnt, the first real-world benchmark for\r\ncausal
    inference downstream tasks on high-dimensional observations as an RCT\r\nstudying
    how garden ants (Lasius neglectus) respond to microparticles applied\r\nonto their
    colony members by hygienic grooming. Comparing 6 480 models\r\nfine-tuned from
    state-of-the-art visual backbones, we find that the sampling\r\nand modeling choices
    significantly affect the accuracy of the causal estimate,\r\nand that classification
    accuracy is not a proxy thereof. We further validated\r\nthe analysis, repeating
    it on a synthetically generated visual data set\r\ncontrolling the causal model.
    Our results suggest that future benchmarks should\r\ncarefully consider real downstream
    scientific questions, especially causal\r\nones. Further, we highlight guidelines
    for representation learning methods to\r\nhelp answer causal questions in the
    sciences."
acknowledgement: We thank Piersilvio De Bartolomeis, and the full Causal Learning
  and Artificial Intelligence (CLAI) group at ISTA for the extremely helpful discussions.
  Riccardo Cadei was supported by a Google Research Scholar Award and a Google Initiated
  Gift to Francesco Locatello. We thank the Social Immunity team at ISTA particularly
  Michaela Hönigsberger and Wilfrid Jean Louis, for supporting the ecological experiment
  and Farnaz Beikzadeh Abbasi, Luisa Fiebig and Martin Estermann for annotating ant
  behavior in ISTAnt.
article_processing_charge: No
arxiv: 1
author:
- first_name: Riccardo
  full_name: Cadei, Riccardo
  id: 0fa8b76f-72f0-11ef-b75a-a5da96e5ad6b
  last_name: Cadei
- first_name: Lukas
  full_name: Lindorfer, Lukas
  id: 85f0e6d3-06b3-11ec-8982-8c5049fa4455
  last_name: Lindorfer
- first_name: Sylvia
  full_name: Cremer, Sylvia
  id: 2F64EC8C-F248-11E8-B48F-1D18A9856A87
  last_name: Cremer
  orcid: 0000-0002-2193-3868
- first_name: Cordelia
  full_name: Schmid, Cordelia
  last_name: Schmid
- first_name: Francesco
  full_name: Locatello, Francesco
  id: 26cfd52f-2483-11ee-8040-88983bcc06d4
  last_name: Locatello
  orcid: 0000-0002-4850-0683
citation:
  ama: 'Cadei R, Lindorfer L, Cremer S, Schmid C, Locatello F. Smoke and mirrors in
    causal downstream tasks. In: <i>ICML 2024 Workshop AI4Science</i>. Vol 38. Curran
    Associates; 2024.'
  apa: Cadei, R., Lindorfer, L., Cremer, S., Schmid, C., &#38; Locatello, F. (2024).
    Smoke and mirrors in causal downstream tasks. In <i>ICML 2024 Workshop AI4Science</i>
    (Vol. 38). Curran Associates.
  chicago: Cadei, Riccardo, Lukas Lindorfer, Sylvia Cremer, Cordelia Schmid, and Francesco
    Locatello. “Smoke and Mirrors in Causal Downstream Tasks.” In <i>ICML 2024 Workshop
    AI4Science</i>, Vol. 38. Curran Associates, 2024.
  ieee: R. Cadei, L. Lindorfer, S. Cremer, C. Schmid, and F. Locatello, “Smoke and
    mirrors in causal downstream tasks,” in <i>ICML 2024 Workshop AI4Science</i>,
    2024, vol. 38.
  ista: 'Cadei R, Lindorfer L, Cremer S, Schmid C, Locatello F. 2024. Smoke and mirrors
    in causal downstream tasks. ICML 2024 Workshop AI4Science. ICML: International
    Conference on Machine Learning vol. 38.'
  mla: Cadei, Riccardo, et al. “Smoke and Mirrors in Causal Downstream Tasks.” <i>ICML
    2024 Workshop AI4Science</i>, vol. 38, Curran Associates, 2024.
  short: R. Cadei, L. Lindorfer, S. Cremer, C. Schmid, F. Locatello, in:, ICML 2024
    Workshop AI4Science, Curran Associates, 2024.
conference:
  end_date: 2024-07-26
  name: 'ICML: International Conference on Machine Learning'
  start_date: 2024-07-26
corr_author: '1'
date_created: 2025-01-14T07:27:26Z
date_published: 2024-09-25T00:00:00Z
date_updated: 2025-07-10T11:51:50Z
day: '25'
ddc:
- '000'
- '570'
department:
- _id: SyCr
- _id: FrLo
- _id: GradSch
external_id:
  arxiv:
  - '2405.17151'
file:
- access_level: open_access
  checksum: beedf05388bbdb7ddda81ec3d5ec7026
  content_type: application/pdf
  creator: dernst
  date_created: 2025-01-27T11:42:24Z
  date_updated: 2025-01-27T11:42:24Z
  file_id: '18896'
  file_name: 2024_ICML_Cadei.pdf
  file_size: 4453014
  relation: main_file
  success: 1
file_date_updated: 2025-01-27T11:42:24Z
has_accepted_license: '1'
intvolume: '        38'
language:
- iso: eng
month: '09'
oa: 1
oa_version: Published Version
publication: ICML 2024 Workshop AI4Science
publication_status: published
publisher: Curran Associates
quality_controlled: '1'
related_material:
  link:
  - relation: software
    url: https://github.com/CausalLearningAI/ISTAnt
  record:
  - id: '18895'
    relation: research_data
    status: public
  - id: '19509'
    relation: is_continued_by
    status: for_moderation
scopus_import: '1'
status: public
title: Smoke and mirrors in causal downstream tasks
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: conference
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 38
year: '2024'
...
---
OA_place: publisher
OA_type: gold
_id: '18875'
abstract:
- lang: eng
  text: Current state-of-the-art methods for differentially private model training
    are based on matrix factorization techniques. However, these methods suffer from
    high computational overhead because they require numerically solving a demanding
    optimization problem to determine an approximately optimal factorization prior
    to the actual model training. In this work, we present a new matrix factorization
    approach, BSR, which overcomes this computational bottleneck. By exploiting properties
    of the standard matrix square root, BSR allows to efficiently handle also large-scale
    problems. For the key scenario of stochastic gradient descent with momentum and
    weight decay, we even derive analytical expressions for BSR that render the computational
    overhead negligible. We prove bounds on the approximation quality that hold both
    in the centralized and in the federated learning setting. Our numerical experiments
    demonstrate that models trained using BSR perform on par with the best existing
    methods, while completely avoiding their computational overhead.
alternative_title:
- Advances in Neural Information Processing Systems
article_processing_charge: No
arxiv: 1
author:
- first_name: Nikita
  full_name: Kalinin, Nikita
  id: 4b14526e-14d2-11ed-ba64-c14c9553d137
  last_name: Kalinin
- first_name: Christoph
  full_name: Lampert, Christoph
  id: 40C20FD2-F248-11E8-B48F-1D18A9856A87
  last_name: Lampert
  orcid: 0000-0001-8622-7887
citation:
  ama: 'Kalinin N, Lampert C. Banded square root matrix factorization for differentially
    private model training. In: <i>38th Annual Conference on Neural Information Processing
    Systems</i>. Vol 37. Neural Information Processing Systems Foundation; 2024.'
  apa: 'Kalinin, N., &#38; Lampert, C. (2024). Banded square root matrix factorization
    for differentially private model training. In <i>38th Annual Conference on Neural
    Information Processing Systems</i> (Vol. 37). Vancouver, Canada: Neural Information
    Processing Systems Foundation.'
  chicago: Kalinin, Nikita, and Christoph Lampert. “Banded Square Root Matrix Factorization
    for Differentially Private Model Training.” In <i>38th Annual Conference on Neural
    Information Processing Systems</i>, Vol. 37. Neural Information Processing Systems
    Foundation, 2024.
  ieee: N. Kalinin and C. Lampert, “Banded square root matrix factorization for differentially
    private model training,” in <i>38th Annual Conference on Neural Information Processing
    Systems</i>, Vancouver, Canada, 2024, vol. 37.
  ista: 'Kalinin N, Lampert C. 2024. Banded square root matrix factorization for differentially
    private model training. 38th Annual Conference on Neural Information Processing
    Systems. NeurIPS: Neural Information Processing Systems, Advances in Neural Information
    Processing Systems, vol. 37.'
  mla: Kalinin, Nikita, and Christoph Lampert. “Banded Square Root Matrix Factorization
    for Differentially Private Model Training.” <i>38th Annual Conference on Neural
    Information Processing Systems</i>, vol. 37, Neural Information Processing Systems
    Foundation, 2024.
  short: N. Kalinin, C. Lampert, in:, 38th Annual Conference on Neural Information
    Processing Systems, Neural Information Processing Systems Foundation, 2024.
conference:
  end_date: 2024-12-16
  location: Vancouver, Canada
  name: 'NeurIPS: Neural Information Processing Systems'
  start_date: 2024-12-16
corr_author: '1'
date_created: 2025-01-24T17:58:16Z
date_published: 2024-12-01T00:00:00Z
date_updated: 2025-05-14T11:34:20Z
day: '01'
ddc:
- '000'
department:
- _id: GradSch
- _id: ChLa
external_id:
  arxiv:
  - '2405.13763'
file:
- access_level: open_access
  checksum: a216cab8eddc1fe7840aede0e2c0d41e
  content_type: application/pdf
  creator: dernst
  date_created: 2025-01-27T09:52:15Z
  date_updated: 2025-01-27T09:52:15Z
  file_id: '18888'
  file_name: 2024_NeurIPS_Nikita.pdf
  file_size: 1144656
  relation: main_file
  success: 1
file_date_updated: 2025-01-27T09:52:15Z
has_accepted_license: '1'
intvolume: '        37'
language:
- iso: eng
month: '12'
oa: 1
oa_version: Published Version
publication: 38th Annual Conference on Neural Information Processing Systems
publication_identifier:
  eissn:
  - 1049-5258
publication_status: published
publisher: Neural Information Processing Systems Foundation
quality_controlled: '1'
scopus_import: '1'
status: public
title: Banded square root matrix factorization for differentially private model training
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: conference
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 37
year: '2024'
...
---
OA_place: repository
OA_type: green
_id: '18890'
abstract:
- lang: eng
  text: Deep Neural Collapse (DNC) refers to the surprisingly rigid structure of the
    data representations in the final layers of Deep Neural Networks (DNNs). Though
    the phenomenon has been measured in a variety of settings, its emergence is typically
    explained via data-agnostic approaches, such as the unconstrained features model.
    In this work, we introduce a data-dependent setting where DNC forms due to feature
    learning through the average gradient outer product (AGOP). The AGOP is defined
    with respect to a learned predictor and is equal to the uncentered covariance
    matrix of its input-output gradients averaged over the training dataset. The Deep
    Recursive Feature Machine (Deep RFM) is a method that constructs a neural network
    by iteratively mapping the data with the AGOP and applying an untrained random
    feature map. We demonstrate empirically that DNC occurs in Deep RFM across standard
    settings as a consequence of the projection with the AGOP matrix computed at each
    layer. Further, we theoretically explain DNC in Deep RFM in an asymptotic setting
    and as a result of kernel learning. We then provide evidence that this mechanism
    holds for neural networks more generally. In particular, we show that the right
    singular vectors and values of the weights can be responsible for the majority
    of within-class variability collapse for DNNs trained in the feature learning
    regime. As observed in recent work, this singular structure is highly correlated
    with that of the AGOP.
acknowledgement: 'We acknowledge support from the National Science Foundation (NSF)
  and the Simons Foundation for the Collaboration on the Theoretical Foundations of
  Deep Learning through awards DMS-2031883 and #814639 as well as the TILOS institute
  (NSF CCF-2112665). This work used the programs (1) XSEDE (Extreme science and engineering
  discovery environment) which is supported by NSF grant numbers ACI-1548562, and
  (2) ACCESS (Advanced cyberinfrastructure coordination ecosystem: services & support)
  which is supported by NSF grants numbers #2138259, #2138286, #2138307, #2137603,
  and #2138296. Specifically, we used the resources from SDSC Expanse GPU compute
  nodes, and NCSA Delta system, via allocations TG-CIS220009. Marco Mondelli is supported
  by the 2019 Lopez-Loreta prize. We also acknowledge useful feedback from anonymous
  reviewers. '
alternative_title:
- Advances in Neural Information Processing Systems
article_processing_charge: No
arxiv: 1
author:
- first_name: Daniel
  full_name: Beaglehole, Daniel
  last_name: Beaglehole
- first_name: Peter
  full_name: Súkeník, Peter
  id: d64d6a8d-eb8e-11eb-b029-96fd216dec3c
  last_name: Súkeník
- first_name: Marco
  full_name: Mondelli, Marco
  id: 27EB676C-8706-11E9-9510-7717E6697425
  last_name: Mondelli
  orcid: 0000-0002-3242-7020
- first_name: Mikhail
  full_name: Belkin, Mikhail
  last_name: Belkin
citation:
  ama: 'Beaglehole D, Súkeník P, Mondelli M, Belkin M. Average gradient outer product
    as a mechanism for deep neural collapse. In: <i>38th Annual Conference on Neural
    Information Processing Systems</i>. Vol 37. Neural Information Processing Systems
    Foundation; 2024.'
  apa: 'Beaglehole, D., Súkeník, P., Mondelli, M., &#38; Belkin, M. (2024). Average
    gradient outer product as a mechanism for deep neural collapse. In <i>38th Annual
    Conference on Neural Information Processing Systems</i> (Vol. 37). Vancouver,
    Canada: Neural Information Processing Systems Foundation.'
  chicago: Beaglehole, Daniel, Peter Súkeník, Marco Mondelli, and Mikhail Belkin.
    “Average Gradient Outer Product as a Mechanism for Deep Neural Collapse.” In <i>38th
    Annual Conference on Neural Information Processing Systems</i>, Vol. 37. Neural
    Information Processing Systems Foundation, 2024.
  ieee: D. Beaglehole, P. Súkeník, M. Mondelli, and M. Belkin, “Average gradient outer
    product as a mechanism for deep neural collapse,” in <i>38th Annual Conference
    on Neural Information Processing Systems</i>, Vancouver, Canada, 2024, vol. 37.
  ista: 'Beaglehole D, Súkeník P, Mondelli M, Belkin M. 2024. Average gradient outer
    product as a mechanism for deep neural collapse. 38th Annual Conference on Neural
    Information Processing Systems. NeurIPS: Neural Information Processing Systems,
    Advances in Neural Information Processing Systems, vol. 37.'
  mla: Beaglehole, Daniel, et al. “Average Gradient Outer Product as a Mechanism for
    Deep Neural Collapse.” <i>38th Annual Conference on Neural Information Processing
    Systems</i>, vol. 37, Neural Information Processing Systems Foundation, 2024.
  short: D. Beaglehole, P. Súkeník, M. Mondelli, M. Belkin, in:, 38th Annual Conference
    on Neural Information Processing Systems, Neural Information Processing Systems
    Foundation, 2024.
conference:
  end_date: 2024-12-16
  location: Vancouver, Canada
  name: 'NeurIPS: Neural Information Processing Systems'
  start_date: 2024-12-16
corr_author: '1'
date_created: 2025-01-27T11:11:40Z
date_published: 2024-12-01T00:00:00Z
date_updated: 2025-05-14T11:29:45Z
day: '01'
department:
- _id: GradSch
- _id: MaMo
external_id:
  arxiv:
  - '2402.13728'
intvolume: '        37'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://openreview.net/forum?id=lJ1jdl2K9k
month: '12'
oa: 1
oa_version: Preprint
project:
- _id: 059876FA-7A3F-11EA-A408-12923DDC885E
  name: Prix Lopez-Loretta 2019 - Marco Mondelli
publication: 38th Annual Conference on Neural Information Processing Systems
publication_identifier:
  eissn:
  - 1049-5258
publication_status: published
publisher: Neural Information Processing Systems Foundation
quality_controlled: '1'
scopus_import: '1'
status: public
title: Average gradient outer product as a mechanism for deep neural collapse
type: conference
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 37
year: '2024'
...
---
OA_place: publisher
OA_type: gold
_id: '18891'
abstract:
- lang: eng
  text: "Deep neural networks (DNNs) exhibit a surprising structure in their final
    layer\r\nknown as neural collapse (NC), and a growing body of works has currently
    investigated the propagation of neural collapse to earlier layers of DNNs – a
    phenomenon\r\ncalled deep neural collapse (DNC). However, existing theoretical
    results are restricted to special cases: linear models, only two layers or binary
    classification.\r\nIn contrast, we focus on non-linear models of arbitrary depth
    in multi-class classification and reveal a surprising qualitative shift. As soon
    as we go beyond two\r\nlayers or two classes, DNC stops being optimal for the
    deep unconstrained features\r\nmodel (DUFM) – the standard theoretical framework
    for the analysis of collapse.\r\nThe main culprit is a low-rank bias of multi-layer
    regularization schemes: this bias\r\nleads to optimal solutions of even lower
    rank than the neural collapse. We support\r\nour theoretical findings with experiments
    on both DUFM and real data, which show\r\nthe emergence of the low-rank structure
    in the solution found by gradient descent."
acknowledged_ssus:
- _id: ScienComp
acknowledgement: Marco Mondelli is partially supported by the 2019 Lopez-Loreta prize.
  This research was supported by the Scientific Service Units (SSU) of ISTA through
  resources provided by Scientific Computing (SciComp).
alternative_title:
- Advances in Neural Information Processing Systems
article_processing_charge: No
arxiv: 1
author:
- first_name: Peter
  full_name: Súkeník, Peter
  id: d64d6a8d-eb8e-11eb-b029-96fd216dec3c
  last_name: Súkeník
- first_name: Christoph
  full_name: Lampert, Christoph
  id: 40C20FD2-F248-11E8-B48F-1D18A9856A87
  last_name: Lampert
  orcid: 0000-0001-8622-7887
- first_name: Marco
  full_name: Mondelli, Marco
  id: 27EB676C-8706-11E9-9510-7717E6697425
  last_name: Mondelli
  orcid: 0000-0002-3242-7020
citation:
  ama: 'Súkeník P, Lampert C, Mondelli M. Neural collapse versus low-rank bias: Is
    deep neural collapse really optimal? In: <i>38th Annual Conference on Neural Information
    Processing Systems</i>. Vol 37. Neural Information Processing Systems Foundation;
    2024.'
  apa: 'Súkeník, P., Lampert, C., &#38; Mondelli, M. (2024). Neural collapse versus
    low-rank bias: Is deep neural collapse really optimal? In <i>38th Annual Conference
    on Neural Information Processing Systems</i> (Vol. 37). Vancouver, Canada: Neural
    Information Processing Systems Foundation.'
  chicago: 'Súkeník, Peter, Christoph Lampert, and Marco Mondelli. “Neural Collapse
    versus Low-Rank Bias: Is Deep Neural Collapse Really Optimal?” In <i>38th Annual
    Conference on Neural Information Processing Systems</i>, Vol. 37. Neural Information
    Processing Systems Foundation, 2024.'
  ieee: 'P. Súkeník, C. Lampert, and M. Mondelli, “Neural collapse versus low-rank
    bias: Is deep neural collapse really optimal?,” in <i>38th Annual Conference on
    Neural Information Processing Systems</i>, Vancouver, Canada, 2024, vol. 37.'
  ista: 'Súkeník P, Lampert C, Mondelli M. 2024. Neural collapse versus low-rank bias:
    Is deep neural collapse really optimal? 38th Annual Conference on Neural Information
    Processing Systems. NeurIPS: Neural Information Processing Systems, Advances in
    Neural Information Processing Systems, vol. 37.'
  mla: 'Súkeník, Peter, et al. “Neural Collapse versus Low-Rank Bias: Is Deep Neural
    Collapse Really Optimal?” <i>38th Annual Conference on Neural Information Processing
    Systems</i>, vol. 37, Neural Information Processing Systems Foundation, 2024.'
  short: P. Súkeník, C. Lampert, M. Mondelli, in:, 38th Annual Conference on Neural
    Information Processing Systems, Neural Information Processing Systems Foundation,
    2024.
conference:
  end_date: 2024-12-16
  location: Vancouver, Canada
  name: 'NeurIPS: Neural Information Processing Systems'
  start_date: 2024-12-16
corr_author: '1'
date_created: 2025-01-27T11:15:18Z
date_published: 2024-12-01T00:00:00Z
date_updated: 2025-06-04T07:19:21Z
day: '01'
ddc:
- '000'
department:
- _id: GradSch
- _id: MaMo
- _id: ChLa
external_id:
  arxiv:
  - '2405.14468'
file:
- access_level: open_access
  checksum: b7b79f1ea3ac1e9e11b3d91faaeb0780
  content_type: application/pdf
  creator: dernst
  date_created: 2025-02-04T08:11:25Z
  date_updated: 2025-02-04T08:11:25Z
  file_id: '18989'
  file_name: 2024_NeurIPS_Sukenik.pdf
  file_size: 1784118
  relation: main_file
  success: 1
file_date_updated: 2025-02-04T08:11:25Z
has_accepted_license: '1'
intvolume: '        37'
language:
- iso: eng
month: '12'
oa: 1
oa_version: Published Version
project:
- _id: 059876FA-7A3F-11EA-A408-12923DDC885E
  name: Prix Lopez-Loretta 2019 - Marco Mondelli
publication: 38th Annual Conference on Neural Information Processing Systems
publication_status: published
publisher: Neural Information Processing Systems Foundation
quality_controlled: '1'
status: public
title: 'Neural collapse versus low-rank bias: Is deep neural collapse really optimal?'
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: conference
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 37
year: '2024'
...
---
OA_place: repository
OA_type: gold
_id: '18895'
abstract:
- lang: eng
  text: 'ISTAnt is a new ecological dataset for social immunity and represents the
    first real-world benchmark for causal inference downstream tasks on high-dimensional
    observations. It analyzes grooming behavior in the ant Lasius neglectus in groups
    of three worker ants. The workers for the experiment were obtained from their
    laboratory stock colony, which had been collected from the field in 2022 in the
    Botanical Garden Jena, Germany. Ant collection and all experimental work were
    performed in compliance with international, national and institutional regulations
    and ethical guidelines. For the experiment, the body surface of one of the three
    ants was treated with a suspension of either of two microparticle types (diameter
    ~5 µm) to induce grooming by the two nestmates, which were individually color-coded
    by application of a dot of blue or orange paint, respectively. The three ants
    were housed in small plastic containers (diameter 28mm, height 30mm) with moistened,
    plastered ground and the interior walls covered with PTFE (polytetrafluoroethane)
    to hamper climbing by the ants. Filming occurred in a temperature- and humidity-controlled
    room at 23°C within a custom-made filming box with controlled lighting and ventilation
    conditions. We set up nine ant groups at a time (always containing both treatments)
    and placed them randomly on positions 1-9 marked on the floor in a 3x3 grid, about
    3mm from each other. The experiment was performed on two consecutive days. Videos
    were acquired using a USB camera (FLIR blackfly S BFS-U3-120S4C, Teledyne FLIR)
    with a high-performance lens (HP Series 25mm Focal Length, Edmund optics 86-572)
    in OBS studio 29.0.0 \citep{bailey2017obs} at a framerate of 30 FPS and a resolution
    of 2500x2500 pixels. From each original video (105x105 mm), we generated nine
    individual videos .mkv (each ~32x32 mm, 770x770 pixels) by determining exact coordinates
    per container from one frame in GIMP 2.10.36 and cropping of the videos with FFmpeg
    6.1.1. Annotation was performed over two consecutive days by three observers who
    had not been involved in the experimental setup or recording and were unaware
    of the treatment assignments to ensure bias-free behavioral annotation. They annotated
    the behavior of the ants during video observations, using custom-made software
    that saves the start and end frames of behaviors marked in a .csv file (see ''annotations''
    folder). In one of the videos, one of the nestmates'' legs got inadvertently stuck
    to its body surface during the color-coding, interfering with its behavior, so
    the video was discarded. This left 44 videos from 5 independent setups (n=24 of
    treatment 1 and n=20 of treatment 2) of 10 minutes each for a total of 792 000
    annotated frames (see ''video'' folder). For each video, we provide the following
    information: the number of the set to which it belongs (1-5); the number of the
    position within the set reflecting the position of the ant group under the camera
    (1-9), for which we also provide ‘coordinates’ in the 3x3 grid (taking values
    -1/0/1 for both X and Y axis); treatment (1 or 2); the hour of the day when the
    recording was started (in 24h CEST); experimental day (A or B); the top left coordinate
    of the cropping square from the original video (CropX/CropY); the person annotating
    the video (given as A, B, C); the date of annotation (1: first day, 2: second
    day) and in which order the videos were annotated by each person, both reflecting
    a possible training effect of the person (see ''experiments_settings.csv'' file).'
article_processing_charge: No
author:
- first_name: Riccardo
  full_name: Cadei, Riccardo
  id: 0fa8b76f-72f0-11ef-b75a-a5da96e5ad6b
  last_name: Cadei
- first_name: Francesco
  full_name: Locatello, Francesco
  id: 26cfd52f-2483-11ee-8040-88983bcc06d4
  last_name: Locatello
  orcid: 0000-0002-4850-0683
- first_name: Sylvia M
  full_name: Cremer, Sylvia M
  id: 2F64EC8C-F248-11E8-B48F-1D18A9856A87
  last_name: Cremer
  orcid: 0000-0002-2193-3868
- first_name: Lukas
  full_name: Lindorfer, Lukas
  id: 85f0e6d3-06b3-11ec-8982-8c5049fa4455
  last_name: Lindorfer
- first_name: Cordelia
  full_name: Schmid, Cordelia
  last_name: Schmid
citation:
  ama: Cadei R, Locatello F, Cremer S, Lindorfer L, Schmid C. ISTAnt. 2024. doi:<a
    href="https://doi.org/10.6084/M9.FIGSHARE.26484934.V2">10.6084/M9.FIGSHARE.26484934.V2</a>
  apa: Cadei, R., Locatello, F., Cremer, S., Lindorfer, L., &#38; Schmid, C. (2024).
    ISTAnt. Institute of Science and Technology Austria. <a href="https://doi.org/10.6084/M9.FIGSHARE.26484934.V2">https://doi.org/10.6084/M9.FIGSHARE.26484934.V2</a>
  chicago: Cadei, Riccardo, Francesco Locatello, Sylvia Cremer, Lukas Lindorfer, and
    Cordelia Schmid. “ISTAnt.” Institute of Science and Technology Austria, 2024.
    <a href="https://doi.org/10.6084/M9.FIGSHARE.26484934.V2">https://doi.org/10.6084/M9.FIGSHARE.26484934.V2</a>.
  ieee: R. Cadei, F. Locatello, S. Cremer, L. Lindorfer, and C. Schmid, “ISTAnt.”
    Institute of Science and Technology Austria, 2024.
  ista: Cadei R, Locatello F, Cremer S, Lindorfer L, Schmid C. 2024. ISTAnt, Institute
    of Science and Technology Austria, <a href="https://doi.org/10.6084/M9.FIGSHARE.26484934.V2">10.6084/M9.FIGSHARE.26484934.V2</a>.
  mla: Cadei, Riccardo, et al. <i>ISTAnt</i>. Institute of Science and Technology
    Austria, 2024, doi:<a href="https://doi.org/10.6084/M9.FIGSHARE.26484934.V2">10.6084/M9.FIGSHARE.26484934.V2</a>.
  short: R. Cadei, F. Locatello, S. Cremer, L. Lindorfer, C. Schmid, (2024).
corr_author: '1'
date_created: 2025-01-27T11:45:43Z
date_published: 2024-10-23T00:00:00Z
date_updated: 2025-01-27T11:58:38Z
day: '23'
ddc:
- '570'
department:
- _id: SyCr
- _id: FrLo
- _id: GradSch
doi: 10.6084/M9.FIGSHARE.26484934.V2
main_file_link:
- open_access: '1'
  url: https://10.6084/M9.FIGSHARE.26484934.V2
month: '10'
oa: 1
oa_version: Published Version
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '18847'
    relation: used_in_publication
    status: public
status: public
title: ISTAnt
type: research_data_reference
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2024'
...
---
OA_place: publisher
OA_type: gold
_id: '18961'
abstract:
- lang: eng
  text: "Automated contact tracing (ACT) emerged as a promising measure to curb the
    spread of Covid-19. Users enable ACT on their smartphones to automatically record
    contacts with other users. If a user tests positive for the disease, they report
    their diagnosis to alert their contacts.\r\nDesigning effective ACT protocols
    is challenging since they need to be efficient and secure while also ensuring
    users' privacy. As ACT protocols necessarily leak some information by design,
    defining privacy is difficult. For example, a user cannot deny having met another
    user. Ideally, however, the user can plausibly deny everything else, in particular,
    when they met. We call this privacy property contact-time deniability.\r\nWhile
    some early works discussed contact-time deniability informally, it has received
    little attention since then. We investigate deniability from a rigorous, theoretical
    point of view and arrive at the following impossibility result:\r\nA decentralized
    protocol with unidirectional communication cannot be contact-time deniable and
    replay-secure. This holds even if malicious users treat smartphones as black-boxes.\r\n
    Unidirectional protocols are usually very efficient and many proposals are unidirectional,
    e.g., the widely-deployed Google-Apple Exposure Notifications. So the impossibility
    result considerably constrains the design space of efficient, secure, and private
    ACT protocols. However, it can also be used as a guide; we discuss several possibilities
    to achieve contact-time deniability in practice."
acknowledgement: "We thank Raluca-Georgia Diugan for her initial contributions and
  support afterward.\r\nThis research was funded in whole or in part by the Austrian
  Science Fund (FWF) 10.55776/F85."
article_processing_charge: No
article_type: original
author:
- first_name: Christoph Ullrich
  full_name: Günther, Christoph Ullrich
  id: ec98511c-eb8e-11eb-b029-edd25d7271a1
  last_name: Günther
- first_name: Krzysztof Z
  full_name: Pietrzak, Krzysztof Z
  id: 3E04A7AA-F248-11E8-B48F-1D18A9856A87
  last_name: Pietrzak
  orcid: 0000-0002-9139-1654
citation:
  ama: 'Günther CU, Pietrzak KZ. Deniability in automated contact tracing: Impossibilities
    and possibilities. <i>Proceedings on Privacy Enhancing Technologies</i>. 2024;2024(4):636-648.
    doi:<a href="https://doi.org/10.56553/popets-2024-0134">10.56553/popets-2024-0134</a>'
  apa: 'Günther, C. U., &#38; Pietrzak, K. Z. (2024). Deniability in automated contact
    tracing: Impossibilities and possibilities. <i>Proceedings on Privacy Enhancing
    Technologies</i>. Bristol, UK/Virtual: Privacy Enhancing Technologies Symposium
    Advisory Board. <a href="https://doi.org/10.56553/popets-2024-0134">https://doi.org/10.56553/popets-2024-0134</a>'
  chicago: 'Günther, Christoph Ullrich, and Krzysztof Z Pietrzak. “Deniability in
    Automated Contact Tracing: Impossibilities and Possibilities.” <i>Proceedings
    on Privacy Enhancing Technologies</i>. Privacy Enhancing Technologies Symposium
    Advisory Board, 2024. <a href="https://doi.org/10.56553/popets-2024-0134">https://doi.org/10.56553/popets-2024-0134</a>.'
  ieee: 'C. U. Günther and K. Z. Pietrzak, “Deniability in automated contact tracing:
    Impossibilities and possibilities,” <i>Proceedings on Privacy Enhancing Technologies</i>,
    vol. 2024, no. 4. Privacy Enhancing Technologies Symposium Advisory Board, pp.
    636–648, 2024.'
  ista: 'Günther CU, Pietrzak KZ. 2024. Deniability in automated contact tracing:
    Impossibilities and possibilities. Proceedings on Privacy Enhancing Technologies.
    2024(4), 636–648.'
  mla: 'Günther, Christoph Ullrich, and Krzysztof Z. Pietrzak. “Deniability in Automated
    Contact Tracing: Impossibilities and Possibilities.” <i>Proceedings on Privacy
    Enhancing Technologies</i>, vol. 2024, no. 4, Privacy Enhancing Technologies Symposium
    Advisory Board, 2024, pp. 636–48, doi:<a href="https://doi.org/10.56553/popets-2024-0134">10.56553/popets-2024-0134</a>.'
  short: C.U. Günther, K.Z. Pietrzak, Proceedings on Privacy Enhancing Technologies
    2024 (2024) 636–648.
conference:
  end_date: 2024-07-20
  location: Bristol, UK/Virtual
  name: 'PETs: Privacy Enhancing Technologies Symposium '
  start_date: 2024-07-15
corr_author: '1'
date_created: 2025-01-29T13:39:34Z
date_published: 2024-07-01T00:00:00Z
date_updated: 2025-04-15T08:16:04Z
day: '01'
ddc:
- '000'
department:
- _id: KrPi
- _id: GradSch
doi: 10.56553/popets-2024-0134
file:
- access_level: open_access
  checksum: 348ed6adcf6ad2f925227bde1758cae6
  content_type: application/pdf
  creator: dernst
  date_created: 2025-01-29T13:44:47Z
  date_updated: 2025-01-29T13:44:47Z
  file_id: '18962'
  file_name: 2024_ProcPrivacyEnhTech_Guenther.pdf
  file_size: 611567
  relation: main_file
  success: 1
file_date_updated: 2025-01-29T13:44:47Z
has_accepted_license: '1'
intvolume: '      2024'
issue: '4'
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
page: 636-648
project:
- _id: 34a34d57-11ca-11ed-8bc3-a2688a8724e1
  grant_number: F8509
  name: Security and Privacy by Design for Complex Systems
publication: Proceedings on Privacy Enhancing Technologies
publication_identifier:
  issn:
  - 2299-0984
publication_status: published
publisher: Privacy Enhancing Technologies Symposium Advisory Board
quality_controlled: '1'
status: public
title: 'Deniability in automated contact tracing: Impossibilities and possibilities'
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 2024
year: '2024'
...
---
OA_place: publisher
OA_type: gold
_id: '18998'
abstract:
- lang: eng
  text: Word embeddings represent language vocabularies as clouds of d-dimensional
    points. We investigate how information is conveyed by the general shape of these
    clouds, instead of representing the semantic meaning of each token. Specifically,
    we use the notion of persistent homology from topological data analysis (TDA)
    to measure the distances between language pairs from the shape of their unlabeled
    embeddings. These distances quantify the degree of non-isometry of the embeddings.
    To distinguish whether these differences are random training errors or capture
    real information about the languages, we use the computed distance matrices to
    construct language phylogenetic trees over 81 Indo-European languages. Careful
    evaluation shows that our reconstructed trees exhibit strong and statistically-significant
    similarities to the reference.
article_processing_charge: No
arxiv: 1
author:
- first_name: Ondrej
  full_name: Draganov, Ondrej
  id: 2B23F01E-F248-11E8-B48F-1D18A9856A87
  last_name: Draganov
  orcid: 0000-0003-0464-3823
- first_name: Steven
  full_name: Skiena, Steven
  last_name: Skiena
citation:
  ama: 'Draganov O, Skiena S. The shape of word embeddings: Quantifying non-isometry
    with topological data analysis. In: <i>Findings of the Association for Computational
    Linguistics: EMNLP 2024</i>. Association for Computational Linguistics; 2024:12080-12099.
    doi:<a href="https://doi.org/10.18653/v1/2024.findings-emnlp.705">10.18653/v1/2024.findings-emnlp.705</a>'
  apa: 'Draganov, O., &#38; Skiena, S. (2024). The shape of word embeddings: Quantifying
    non-isometry with topological data analysis. In <i>Findings of the Association
    for Computational Linguistics: EMNLP 2024</i> (pp. 12080–12099). Miami, FL, United
    States: Association for Computational Linguistics. <a href="https://doi.org/10.18653/v1/2024.findings-emnlp.705">https://doi.org/10.18653/v1/2024.findings-emnlp.705</a>'
  chicago: 'Draganov, Ondrej, and Steven Skiena. “The Shape of Word Embeddings: Quantifying
    Non-Isometry with Topological Data Analysis.” In <i>Findings of the Association
    for Computational Linguistics: EMNLP 2024</i>, 12080–99. Association for Computational
    Linguistics, 2024. <a href="https://doi.org/10.18653/v1/2024.findings-emnlp.705">https://doi.org/10.18653/v1/2024.findings-emnlp.705</a>.'
  ieee: 'O. Draganov and S. Skiena, “The shape of word embeddings: Quantifying non-isometry
    with topological data analysis,” in <i>Findings of the Association for Computational
    Linguistics: EMNLP 2024</i>, Miami, FL, United States, 2024, pp. 12080–12099.'
  ista: 'Draganov O, Skiena S. 2024. The shape of word embeddings: Quantifying non-isometry
    with topological data analysis. Findings of the Association for Computational
    Linguistics: EMNLP 2024. EMNLP: Conference on Empirical Methods in Natural Language
    Processing, 12080–12099.'
  mla: 'Draganov, Ondrej, and Steven Skiena. “The Shape of Word Embeddings: Quantifying
    Non-Isometry with Topological Data Analysis.” <i>Findings of the Association for
    Computational Linguistics: EMNLP 2024</i>, Association for Computational Linguistics,
    2024, pp. 12080–99, doi:<a href="https://doi.org/10.18653/v1/2024.findings-emnlp.705">10.18653/v1/2024.findings-emnlp.705</a>.'
  short: 'O. Draganov, S. Skiena, in:, Findings of the Association for Computational
    Linguistics: EMNLP 2024, Association for Computational Linguistics, 2024, pp.
    12080–12099.'
conference:
  end_date: 2024-11-16
  location: Miami, FL, United States
  name: 'EMNLP: Conference on Empirical Methods in Natural Language Processing'
  start_date: 2024-11-12
corr_author: '1'
date_created: 2025-02-04T16:19:28Z
date_published: 2024-11-01T00:00:00Z
date_updated: 2025-02-10T08:21:37Z
day: '01'
ddc:
- '500'
department:
- _id: GradSch
- _id: HeEd
doi: 10.18653/v1/2024.findings-emnlp.705
external_id:
  arxiv:
  - '2404.00500'
file:
- access_level: open_access
  checksum: f4416a5962194f0181ab0dc7f9ef93c0
  content_type: application/pdf
  creator: dernst
  date_created: 2025-02-10T08:20:34Z
  date_updated: 2025-02-10T08:20:34Z
  file_id: '19016'
  file_name: 2024_EMNLP_Draganov.pdf
  file_size: 1312638
  relation: main_file
  success: 1
file_date_updated: 2025-02-10T08:20:34Z
has_accepted_license: '1'
language:
- iso: eng
month: '11'
oa: 1
oa_version: Published Version
page: 12080-12099
publication: 'Findings of the Association for Computational Linguistics: EMNLP 2024'
publication_status: published
publisher: Association for Computational Linguistics
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'The shape of word embeddings: Quantifying non-isometry with topological data
  analysis'
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: conference
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2024'
...
---
OA_place: repository
OA_type: green
_id: '18999'
abstract:
- lang: eng
  text: Exploring the shape of point configurations has been a key driver in the evolution
    of TDA (short for topological data analysis) since its infancy. This survey illustrates
    the recent efforts to broaden these ideas to model spatial interactions among
    multiple configurations, each distinguished by a color. It describes advances
    in this area and prepares the ground for further exploration by mentioning unresolved
    questions and promising research avenues while focusing on the overlap with discrete
    geometry.
article_number: '2406.04102'
article_processing_charge: No
arxiv: 1
author:
- first_name: Sebastiano
  full_name: Cultrera di Montesano, Sebastiano
  id: 34D2A09C-F248-11E8-B48F-1D18A9856A87
  last_name: Cultrera di Montesano
  orcid: 0000-0001-6249-0832
- first_name: Ondrej
  full_name: Draganov, Ondrej
  id: 2B23F01E-F248-11E8-B48F-1D18A9856A87
  last_name: Draganov
  orcid: 0000-0003-0464-3823
- first_name: Herbert
  full_name: Edelsbrunner, Herbert
  id: 3FB178DA-F248-11E8-B48F-1D18A9856A87
  last_name: Edelsbrunner
  orcid: 0000-0002-9823-6833
- first_name: Morteza
  full_name: Saghafian, Morteza
  id: f86f7148-b140-11ec-9577-95435b8df824
  last_name: Saghafian
citation:
  ama: Cultrera di Montesano S, Draganov O, Edelsbrunner H, Saghafian M. Chromatic
    topological data analysis. <i>arXiv</i>. doi:<a href="https://doi.org/10.48550/ARXIV.2406.04102">10.48550/ARXIV.2406.04102</a>
  apa: Cultrera di Montesano, S., Draganov, O., Edelsbrunner, H., &#38; Saghafian,
    M. (n.d.). Chromatic topological data analysis. <i>arXiv</i>. <a href="https://doi.org/10.48550/ARXIV.2406.04102">https://doi.org/10.48550/ARXIV.2406.04102</a>
  chicago: Cultrera di Montesano, Sebastiano, Ondrej Draganov, Herbert Edelsbrunner,
    and Morteza Saghafian. “Chromatic Topological Data Analysis.” <i>ArXiv</i>, n.d.
    <a href="https://doi.org/10.48550/ARXIV.2406.04102">https://doi.org/10.48550/ARXIV.2406.04102</a>.
  ieee: S. Cultrera di Montesano, O. Draganov, H. Edelsbrunner, and M. Saghafian,
    “Chromatic topological data analysis,” <i>arXiv</i>. .
  ista: Cultrera di Montesano S, Draganov O, Edelsbrunner H, Saghafian M. Chromatic
    topological data analysis. arXiv, 2406.04102.
  mla: Cultrera di Montesano, Sebastiano, et al. “Chromatic Topological Data Analysis.”
    <i>ArXiv</i>, 2406.04102, doi:<a href="https://doi.org/10.48550/ARXIV.2406.04102">10.48550/ARXIV.2406.04102</a>.
  short: S. Cultrera di Montesano, O. Draganov, H. Edelsbrunner, M. Saghafian, ArXiv
    (n.d.).
corr_author: '1'
date_created: 2025-02-04T16:21:21Z
date_published: 2024-06-06T00:00:00Z
date_updated: 2025-02-10T08:14:27Z
day: '06'
ddc:
- '510'
department:
- _id: GradSch
- _id: HeEd
doi: 10.48550/ARXIV.2406.04102
external_id:
  arxiv:
  - '2406.04102'
has_accepted_license: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2406.04102
month: '06'
oa: 1
oa_version: Preprint
publication: arXiv
publication_status: submitted
status: public
title: Chromatic topological data analysis
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: preprint
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2024'
...
---
OA_place: repository
OA_type: green
_id: '19063'
abstract:
- lang: eng
  text: "Instruction-tuned Large Language Models (LLMs) show impressive results in
    numerous practical applications, but they lack essential safety features that
    are common in other areas of computer science, particularly an explicit separation
    of instructions and data. This makes them vulnerable to manipulations such as
    indirect prompt injections and generally unsuitable for safety-critical tasks.
    Surprisingly, there is currently no established definition or benchmark to quantify
    this phenomenon. In this work, we close this gap by introducing a formal measure
    for instruction-data separation and an empirical variant that is calculable from
    a model's outputs. We also present a new dataset, SEP, that allows estimating
    the measure for real-world models. Our results on various LLMs show that the problem
    of instruction-data separation is real: all models fail to achieve high separation,
    and canonical mitigation techniques, such as prompt engineering and fine-tuning,
    either fail to substantially improve separation or reduce model utility. The source
    code and SEP dataset are openly accessible at https://github.com/egozverev/Shold-It-Be-Executed-Or-Processed.\r\n"
acknowledged_ssus:
- _id: ScienComp
acknowledgement: The authors would like to sincerely thank Juan Rocamonde for valuable
  feedback to our manuscript. We acknowledge the support from the Scientific Service
  Units (SSU) of ISTA through resources provided by Scientific Computing (SciComp).
  We thank Dan Alistarh for providing us with computational resources. This work was
  partially funded by the German Federal Ministry of Education and Research (BMBF)
  under the grant AIgenCY (16KIS2012) and ELSA – European Lighthouse on Secure and
  Safe AI funded by the European Union under grant agreement No. 101070617. Views
  and opinions expressed are however those of the authors only and do not necessarily
  reflect those of the European Union or European Commission. Neither the European
  Union nor the European Commission can be held responsible for them.
article_number: '2403.06833'
article_processing_charge: No
arxiv: 1
author:
- first_name: Egor
  full_name: Zverev, Egor
  id: 05162b19-1340-11ed-8f02-fa94e0e8c3bc
  last_name: Zverev
- first_name: Sahar
  full_name: Abdelnabi, Sahar
  last_name: Abdelnabi
- first_name: Soroush
  full_name: Tabesh, Soroush
  id: 06000900-6068-11ef-8d61-c2472ef2e752
  last_name: Tabesh
  orcid: 0009-0003-4119-6281
- first_name: Mario
  full_name: Fritz, Mario
  last_name: Fritz
- first_name: Christoph
  full_name: Lampert, Christoph
  id: 40C20FD2-F248-11E8-B48F-1D18A9856A87
  last_name: Lampert
  orcid: 0000-0001-8622-7887
citation:
  ama: Zverev E, Abdelnabi S, Tabesh S, Fritz M, Lampert C. Can LLMs separate instructions
    from data? And what do we even mean by that? <i>arXiv</i>. 2024. doi:<a href="https://doi.org/10.48550/arXiv.2403.06833">10.48550/arXiv.2403.06833</a>
  apa: Zverev, E., Abdelnabi, S., Tabesh, S., Fritz, M., &#38; Lampert, C. (2024).
    Can LLMs separate instructions from data? And what do we even mean by that? <i>arXiv</i>.
    <a href="https://doi.org/10.48550/arXiv.2403.06833">https://doi.org/10.48550/arXiv.2403.06833</a>
  chicago: Zverev, Egor, Sahar Abdelnabi, Soroush Tabesh, Mario Fritz, and Christoph
    Lampert. “Can LLMs Separate Instructions from Data? And What Do We Even Mean by
    That?” <i>ArXiv</i>, 2024. <a href="https://doi.org/10.48550/arXiv.2403.06833">https://doi.org/10.48550/arXiv.2403.06833</a>.
  ieee: E. Zverev, S. Abdelnabi, S. Tabesh, M. Fritz, and C. Lampert, “Can LLMs separate
    instructions from data? And what do we even mean by that?,” <i>arXiv</i>. 2024.
  ista: Zverev E, Abdelnabi S, Tabesh S, Fritz M, Lampert C. 2024. Can LLMs separate
    instructions from data? And what do we even mean by that? arXiv, 2403.06833.
  mla: Zverev, Egor, et al. “Can LLMs Separate Instructions from Data? And What Do
    We Even Mean by That?” <i>ArXiv</i>, 2403.06833, 2024, doi:<a href="https://doi.org/10.48550/arXiv.2403.06833">10.48550/arXiv.2403.06833</a>.
  short: E. Zverev, S. Abdelnabi, S. Tabesh, M. Fritz, C. Lampert, ArXiv (2024).
corr_author: '1'
date_created: 2025-02-20T10:13:42Z
date_published: 2024-03-01T00:00:00Z
date_updated: 2025-02-24T12:52:23Z
day: '01'
ddc:
- '000'
department:
- _id: GradSch
- _id: ChLa
doi: 10.48550/arXiv.2403.06833
external_id:
  arxiv:
  - '2403.06833'
file:
- access_level: open_access
  checksum: 35eb43968684b87be59144603ef10af0
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  creator: ezverev
  date_created: 2025-02-20T10:11:45Z
  date_updated: 2025-02-20T10:11:45Z
  file_id: '19064'
  file_name: 2403.06833v3.pdf
  file_size: 530972
  relation: main_file
  success: 1
file_date_updated: 2025-02-20T10:11:45Z
has_accepted_license: '1'
language:
- iso: eng
license: https://creativecommons.org/licenses/by-sa/4.0/
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2403.06833
month: '03'
oa: 1
oa_version: Preprint
publication: arXiv
publication_status: published
related_material:
  link:
  - relation: software
    url: ' https://github.com/egozverev/Shold-It-Be-Executed-Or-Processed'
status: public
title: Can LLMs separate instructions from data? And what do we even mean by that?
tmp:
  image: /images/cc_by_sa.png
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    BY-SA 4.0)
  short: CC BY-SA (4.0)
type: preprint
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2024'
...
---
OA_place: repository
OA_type: green
_id: '20071'
abstract:
- lang: eng
  text: Farkas established that a system of linear inequalities has a solution if
    and only if we cannot obtain a contradiction by taking a linear combination of
    the inequalities. We state and formally prove several Farkas-like theorems over
    linearly ordered fields in Lean 4. Furthermore, we extend duality theory to the
    case when some coefficients are allowed to take "infinite values".
acknowledgement: We would like to thank David Bartl and Jasmin Blanchette for frequent
  consultations. We would also like to express gratitude to Andrew Yang for the proof
  of Finset.univ sum of zero when not and to Henrik B¨oving for a help with generalization
  from extended rationals to extended linearly ordered fields. We would also like
  to acknowledge Antoine Chambert-Loir, Apurva Nakade, Ya¨el Dillies, Richard Copley,
  Edward van de Meent, Markus Himmel, Mario Carneiro, and Kevin Buzzard.
article_number: '2409.08119'
article_processing_charge: No
arxiv: 1
author:
- first_name: Martin
  full_name: Dvorak, Martin
  id: 40ED02A8-C8B4-11E9-A9C0-453BE6697425
  last_name: Dvorak
  orcid: 0000-0001-5293-214X
- first_name: Vladimir
  full_name: Kolmogorov, Vladimir
  id: 3D50B0BA-F248-11E8-B48F-1D18A9856A87
  last_name: Kolmogorov
citation:
  ama: Dvorak M, Kolmogorov V. Duality theory in linear optimization and its extensions
    -- formally  verified. <i>arXiv</i>. doi:<a href="https://doi.org/10.48550/arXiv.2409.08119">10.48550/arXiv.2409.08119</a>
  apa: Dvorak, M., &#38; Kolmogorov, V. (n.d.). Duality theory in linear optimization
    and its extensions -- formally  verified. <i>arXiv</i>. <a href="https://doi.org/10.48550/arXiv.2409.08119">https://doi.org/10.48550/arXiv.2409.08119</a>
  chicago: Dvorak, Martin, and Vladimir Kolmogorov. “Duality Theory in Linear Optimization
    and Its Extensions -- Formally  Verified.” <i>ArXiv</i>, n.d. <a href="https://doi.org/10.48550/arXiv.2409.08119">https://doi.org/10.48550/arXiv.2409.08119</a>.
  ieee: M. Dvorak and V. Kolmogorov, “Duality theory in linear optimization and its
    extensions -- formally  verified,” <i>arXiv</i>. .
  ista: Dvorak M, Kolmogorov V. Duality theory in linear optimization and its extensions
    -- formally  verified. arXiv, 2409.08119.
  mla: Dvorak, Martin, and Vladimir Kolmogorov. “Duality Theory in Linear Optimization
    and Its Extensions -- Formally  Verified.” <i>ArXiv</i>, 2409.08119, doi:<a href="https://doi.org/10.48550/arXiv.2409.08119">10.48550/arXiv.2409.08119</a>.
  short: M. Dvorak, V. Kolmogorov, ArXiv (n.d.).
corr_author: '1'
date_created: 2025-07-23T11:21:52Z
date_published: 2024-09-12T00:00:00Z
date_updated: 2026-03-27T12:36:59Z
day: '12'
department:
- _id: GradSch
- _id: VlKo
doi: 10.48550/arXiv.2409.08119
external_id:
  arxiv:
  - '2409.08119'
keyword:
- Farkas lemma
- linear programming
- extended reals
- calculus of inductive constructions
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2409.08119
month: '09'
oa: 1
oa_version: Preprint
publication: arXiv
publication_status: draft
related_material:
  link:
  - description: full version of all definitions, statement, and proofs
    relation: software
    url: https://github.com/madvorak/duality/tree/v3.2
  record:
  - id: '21393'
    relation: dissertation_contains
    status: public
status: public
title: Duality theory in linear optimization and its extensions -- formally  verified
type: preprint
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2024'
...
---
APC_amount: 6828 EUR
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '17202'
abstract:
- lang: eng
  text: Gate-tunable transmons (gatemons) employing semiconductor Josephson junctions
    have recently emerged as building blocks for hybrid quantum circuits. In this
    study, we present a gatemon fabricated in planar Germanium. We induce superconductivity
    in a two-dimensional hole gas by evaporating aluminum atop a thin spacer, which
    separates the superconductor from the Ge quantum well. The Josephson junction
    is then integrated into an Xmon circuit and capacitively coupled to a transmission
    line resonator. We showcase the qubit tunability in a broad frequency range with
    resonator and two-tone spectroscopy. Time-domain characterizations reveal energy
    relaxation and coherence times up to 75 ns. Our results, combined with the recent
    advances in the spin qubit field, pave the way towards novel hybrid and protected
    qubits in a group IV, CMOS-compatible material.
acknowledged_ssus:
- _id: ScienComp
- _id: M-Shop
- _id: NanoFab
acknowledgement: "We acknowledge Lucas Casparis, Jeroen Danon, Valla Fatemi, Morten
  Kjaergard and Javad Shabani for their valuable insights and comments. This research
  was supported by the Scientific Service Units of ISTA through resources provided
  by the MIBA Machine Shop\r\nand the Nanofabrication facility. This research and
  related results were made possible with the support of the NOMIS Foundation and
  the FWF Projects with DOI:10.55776/I5060 and DOI:10.55776/P36507. We also acknowledge
  the NextGenerationEU PRIN project\r\n2022A8CJP3 (GAMESQUAD) for partial financial
  support."
article_number: '6400'
article_processing_charge: Yes
article_type: original
arxiv: 1
author:
- first_name: Oliver
  full_name: Sagi, Oliver
  id: 71616374-A8E9-11E9-A7CA-09ECE5697425
  last_name: Sagi
- first_name: Alessandro
  full_name: Crippa, Alessandro
  id: 1F2B21A2-F6E7-11E9-9B82-F7DBE5697425
  last_name: Crippa
  orcid: 0000-0002-2968-611X
- first_name: Marco
  full_name: Valentini, Marco
  id: C0BB2FAC-D767-11E9-B658-BC13E6697425
  last_name: Valentini
- first_name: Marian
  full_name: Janik, Marian
  id: 396A1950-F248-11E8-B48F-1D18A9856A87
  last_name: Janik
  orcid: 0009-0003-9037-8831
- first_name: Levon
  full_name: Baghumyan, Levon
  id: 7aa1f788-b527-11ee-aa9e-e6111a79e0c7
  last_name: Baghumyan
- first_name: Giorgio
  full_name: Fabris, Giorgio
  id: 298cf6f3-1ff6-11ee-9fa6-d94cfa0b3352
  last_name: Fabris
- first_name: Lucky
  full_name: Kapoor, Lucky
  id: 84b9700b-15b2-11ec-abd3-831089e67615
  last_name: Kapoor
  orcid: 0000-0001-8319-2148
- first_name: Farid
  full_name: Hassani, Farid
  id: 2AED110C-F248-11E8-B48F-1D18A9856A87
  last_name: Hassani
  orcid: 0000-0001-6937-5773
- first_name: Johannes M
  full_name: Fink, Johannes M
  id: 4B591CBA-F248-11E8-B48F-1D18A9856A87
  last_name: Fink
  orcid: 0000-0001-8112-028X
- first_name: Stefano
  full_name: Calcaterra, Stefano
  last_name: Calcaterra
- first_name: Daniel
  full_name: Chrastina, Daniel
  last_name: Chrastina
- first_name: Giovanni
  full_name: Isella, Giovanni
  last_name: Isella
- first_name: Georgios
  full_name: Katsaros, Georgios
  id: 38DB5788-F248-11E8-B48F-1D18A9856A87
  last_name: Katsaros
  orcid: 0000-0001-8342-202X
citation:
  ama: Sagi O, Crippa A, Valentini M, et al. A gate tunable transmon qubit in planar
    Ge. <i>Nature Communications</i>. 2024;15. doi:<a href="https://doi.org/10.1038/s41467-024-50763-6">10.1038/s41467-024-50763-6</a>
  apa: Sagi, O., Crippa, A., Valentini, M., Janik, M., Baghumyan, L., Fabris, G.,
    … Katsaros, G. (2024). A gate tunable transmon qubit in planar Ge. <i>Nature Communications</i>.
    Springer Nature. <a href="https://doi.org/10.1038/s41467-024-50763-6">https://doi.org/10.1038/s41467-024-50763-6</a>
  chicago: Sagi, Oliver, Alessandro Crippa, Marco Valentini, Marian Janik, Levon Baghumyan,
    Giorgio Fabris, Lucky Kapoor, et al. “A Gate Tunable Transmon Qubit in Planar
    Ge.” <i>Nature Communications</i>. Springer Nature, 2024. <a href="https://doi.org/10.1038/s41467-024-50763-6">https://doi.org/10.1038/s41467-024-50763-6</a>.
  ieee: O. Sagi <i>et al.</i>, “A gate tunable transmon qubit in planar Ge,” <i>Nature
    Communications</i>, vol. 15. Springer Nature, 2024.
  ista: Sagi O, Crippa A, Valentini M, Janik M, Baghumyan L, Fabris G, Kapoor L, Hassani
    F, Fink JM, Calcaterra S, Chrastina D, Isella G, Katsaros G. 2024. A gate tunable
    transmon qubit in planar Ge. Nature Communications. 15, 6400.
  mla: Sagi, Oliver, et al. “A Gate Tunable Transmon Qubit in Planar Ge.” <i>Nature
    Communications</i>, vol. 15, 6400, Springer Nature, 2024, doi:<a href="https://doi.org/10.1038/s41467-024-50763-6">10.1038/s41467-024-50763-6</a>.
  short: O. Sagi, A. Crippa, M. Valentini, M. Janik, L. Baghumyan, G. Fabris, L. Kapoor,
    F. Hassani, J.M. Fink, S. Calcaterra, D. Chrastina, G. Isella, G. Katsaros, Nature
    Communications 15 (2024).
corr_author: '1'
date_created: 2024-07-04T11:40:45Z
date_published: 2024-07-30T00:00:00Z
date_updated: 2026-04-07T13:01:55Z
day: '30'
ddc:
- '530'
department:
- _id: GeKa
- _id: JoFi
- _id: GradSch
doi: 10.1038/s41467-024-50763-6
external_id:
  arxiv:
  - '2403.16774'
  isi:
  - '001281271000022'
  pmid:
  - '39080279'
file:
- access_level: open_access
  checksum: ddf5361dcb6c543e2cea818501c09910
  content_type: application/pdf
  creator: dernst
  date_created: 2024-08-05T08:38:01Z
  date_updated: 2024-08-05T08:38:01Z
  file_id: '17388'
  file_name: 2024_NatureComm_Sagi.pdf
  file_size: 1928001
  relation: main_file
  success: 1
file_date_updated: 2024-08-05T08:38:01Z
has_accepted_license: '1'
intvolume: '        15'
isi: 1
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
pmid: 1
project:
- _id: bd8bd29e-d553-11ed-ba76-f0070d4b237a
  grant_number: P36507
  name: Merging spin and superconducting qubits in planar Ge
- _id: c0977eea-5a5b-11eb-8a69-a862db0cf4d1
  grant_number: I05060
  name: High impedance circuit quantum electrodynamics with hole spins
- _id: 262116AA-B435-11E9-9278-68D0E5697425
  name: Hybrid Semiconductor - Superconductor Quantum Devices
- _id: 3AC91DDA-15DF-11EA-824D-93A3E7B544D1
  call_identifier: FWF
  name: FWF Open Access Fund
publication: Nature Communications
publication_identifier:
  eissn:
  - 2041-1723
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
related_material:
  link:
  - relation: erratum
    url: https://doi.org/10.1038/s41467-024-53910-1
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    relation: research_data
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scopus_import: '1'
status: public
title: A gate tunable transmon qubit in planar Ge
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 15
year: '2024'
...
---
OA_place: publisher
_id: '17208'
abstract:
- lang: eng
  text: "Can current quantum computers provide a speedup over their classical counterparts
    for some kinds of problems? In this thesis, with a focus on ground state search/preparation,
    we address some of the challenges that both quantum annealing and variational
    quantum algorithms suffer from, hindering any possible practical speedup in comparison
    to the best classical counterparts. \r\n\r\nIn the first part of the thesis, we
    study the performance of quantum annealing for solving a particular combinatorial
    optimization problem called 3-XOR satisfability (3-XORSAT). The classical problem
    is mapped into a ground state search of a 3-local classical Hamiltonian $H_C$.
    We consider how modifying the initial problem, by adding more interaction terms
    to the corresponding Hamiltonian, leads to the emergence of a first-order phase
    transition during the annealing process. This phenomenon causes the total annealing
    duration, $T$, required to prepare the ground state of $H_C$ with a high probability
    to increase exponentially with the size of the problem. Our findings indicate
    that with the growing complexity of problem instances, the likelihood of encountering
    first-order phase transitions also increases, making quantum annealing an impractical
    solution for these types of combinatorial optimization problems.\r\n\r\nIn the
    second part, we focus on the problem of barren plateaus in generic variational
    quantum algorithms. Barren plateaus correspond to flat regions in the parameter
    space where the gradient of the cost function is zero in expectation, and with
    the variance decaying exponentially with the system size, thus obstructing an
    efficient parameter optimization.  We propose an algorithm to circumvent Barren
    Plateaus by monitoring the entanglement entropy of k-local reduced density matrices,
    alongside a method for estimating entanglement entropy via classical shadow tomography.
    We illustrate the approach with the paradigmatic example of the variational quantum
    eigensolver, and show that our algorithm effectively avoids barren plateaus in
    the initialization as well as during the optimization stage. \r\n\r\nLastly, in
    the last two Chapters of this thesis, we focus on the quantum approximate optimization
    algorithm (QAOA), originally introduced as an algorithm for solving generic combinatorial
    optimization problems in near-term quantum devices. Specifically, we focus on
    how to develop rigorous initialization strategies with guarantee improvement.
    Our motivation for this study lies in that for random initialization, the optimization
    typically leads to local minima with poor performance. Our main result corresponds
    to the analytical construction of index-1 saddle points or transition states,
    stationary points with a single direction of descent, as a tool for systematically
    exploring the QAOA optimization landscape. This leads us to propose a novel greedy
    parameter initialization strategy that guarantees for the energy to decrease with
    an increasing number of circuit layers. Furthermore, with precise estimates for
    the negative Hessian eigenvalue and its eigenvector, we establish a lower bound
    for energy improvement following a QAOA iteration."
acknowledged_ssus:
- _id: ScienComp
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Raimel A
  full_name: Medina Ramos, Raimel A
  id: CE680B90-D85A-11E9-B684-C920E6697425
  last_name: Medina Ramos
  orcid: 0000-0002-5383-2869
citation:
  ama: Medina Ramos RA. Exploring the optimization landscape of variational quantum
    algorithms. 2024. doi:<a href="https://doi.org/10.15479/at:ista:17208">10.15479/at:ista:17208</a>
  apa: Medina Ramos, R. A. (2024). <i>Exploring the optimization landscape of variational
    quantum algorithms</i>. Institute of Science and Technology Austria. <a href="https://doi.org/10.15479/at:ista:17208">https://doi.org/10.15479/at:ista:17208</a>
  chicago: Medina Ramos, Raimel A. “Exploring the Optimization Landscape of Variational
    Quantum Algorithms.” Institute of Science and Technology Austria, 2024. <a href="https://doi.org/10.15479/at:ista:17208">https://doi.org/10.15479/at:ista:17208</a>.
  ieee: R. A. Medina Ramos, “Exploring the optimization landscape of variational quantum
    algorithms,” Institute of Science and Technology Austria, 2024.
  ista: Medina Ramos RA. 2024. Exploring the optimization landscape of variational
    quantum algorithms. Institute of Science and Technology Austria.
  mla: Medina Ramos, Raimel A. <i>Exploring the Optimization Landscape of Variational
    Quantum Algorithms</i>. Institute of Science and Technology Austria, 2024, doi:<a
    href="https://doi.org/10.15479/at:ista:17208">10.15479/at:ista:17208</a>.
  short: R.A. Medina Ramos, Exploring the Optimization Landscape of Variational Quantum
    Algorithms, Institute of Science and Technology Austria, 2024.
corr_author: '1'
date_created: 2024-07-09T09:14:24Z
date_published: 2024-07-09T00:00:00Z
date_updated: 2026-04-07T12:43:22Z
day: '09'
ddc:
- '539'
degree_awarded: PhD
department:
- _id: GradSch
- _id: MaSe
doi: 10.15479/at:ista:17208
ec_funded: 1
file:
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file_date_updated: 2024-07-17T09:23:24Z
has_accepted_license: '1'
keyword:
- Quantum computing
- Variational Quantum Algorithms
- Optimization
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
page: '133'
project:
- _id: 23841C26-32DE-11EA-91FC-C7463DDC885E
  call_identifier: H2020
  grant_number: '850899'
  name: 'Non-Ergodic Quantum Matter: Universality, Dynamics and Control'
publication_identifier:
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
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    status: public
  - id: '10067'
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    status: public
  - id: '17222'
    relation: part_of_dissertation
    status: public
  - id: '13125'
    relation: part_of_dissertation
    status: public
  - id: '11471'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Maksym
  full_name: Serbyn, Maksym
  id: 47809E7E-F248-11E8-B48F-1D18A9856A87
  last_name: Serbyn
  orcid: 0000-0002-2399-5827
title: Exploring the optimization landscape of variational quantum algorithms
tmp:
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  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: dissertation
user_id: ba8df636-2132-11f1-aed0-ed93e2281fdd
year: '2024'
...
---
_id: '17214'
abstract:
- lang: eng
  text: 'Current numerical algorithms for simulating friction fall in one of two camps:
    smooth solvers sacrifice the stable treatment of static friction in exchange for
    fast convergence, and non-smooth solvers accurately compute friction at convergence
    rates that are often prohibitive for large graphics applications. We introduce
    a novel bridge between these two ideas that computes static and dynamic friction
    stably and efficiently. Our key idea is to convert the highly constrained non-smooth
    problem into an unconstrained smooth problem using logarithmic barriers that converges
    to the exact solution as accuracy increases. We phrase the problem as an interior
    point primal-dual problem that can be solved efficiently with Newton iteration.
    We observe quadratic convergence despite the non-smooth nature of the original
    problem, and our method is well-suited for large systems of tightly packed objects
    with many contact points. We demonstrate the efficacy of our method with stable
    piles of grains and stacks of objects, complex granular flows, and robust interlocking
    assemblies of rigid bodies.'
acknowledgement: We thank Vincent Acary for his help with Siconos, as well as the
  anonymous reviewers and the members of the Visual Computing Group at ISTA for their
  helpful comments. This research was funded in part by the European Union (ERC-2021-COG
  101045083 CoDiNA).
article_processing_charge: Yes (via OA deal)
author:
- first_name: Yi-Lu
  full_name: Chen, Yi-Lu
  id: 0b467602-dbcd-11ea-9d1d-ed480aa46b70
  last_name: Chen
- first_name: Mickaël
  full_name: Ly, Mickaël
  id: 6340d7f0-b48d-11eb-b10d-b7487e71d9f1
  last_name: Ly
- first_name: Christopher J
  full_name: Wojtan, Christopher J
  id: 3C61F1D2-F248-11E8-B48F-1D18A9856A87
  last_name: Wojtan
  orcid: 0000-0001-6646-5546
citation:
  ama: 'Chen Y-L, Ly M, Wojtan C. Primal-dual non-smooth friction for rigid body animation.
    In: <i>Special Interest Group on Computer Graphics and Interactive Techniques
    Conference Conference Papers ’24</i>. Association for Computing Machinery; 2024.
    doi:<a href="https://doi.org/10.1145/3641519.3657485">10.1145/3641519.3657485</a>'
  apa: 'Chen, Y.-L., Ly, M., &#38; Wojtan, C. (2024). Primal-dual non-smooth friction
    for rigid body animation. In <i>Special Interest Group on Computer Graphics and
    Interactive Techniques Conference Conference Papers ’24</i>. Denver, United States:
    Association for Computing Machinery. <a href="https://doi.org/10.1145/3641519.3657485">https://doi.org/10.1145/3641519.3657485</a>'
  chicago: Chen, Yi-Lu, Mickaël Ly, and Chris Wojtan. “Primal-Dual Non-Smooth Friction
    for Rigid Body Animation.” In <i>Special Interest Group on Computer Graphics and
    Interactive Techniques Conference Conference Papers ’24</i>. Association for Computing
    Machinery, 2024. <a href="https://doi.org/10.1145/3641519.3657485">https://doi.org/10.1145/3641519.3657485</a>.
  ieee: Y.-L. Chen, M. Ly, and C. Wojtan, “Primal-dual non-smooth friction for rigid
    body animation,” in <i>Special Interest Group on Computer Graphics and Interactive
    Techniques Conference Conference Papers ’24</i>, Denver, United States, 2024.
  ista: 'Chen Y-L, Ly M, Wojtan C. 2024. Primal-dual non-smooth friction for rigid
    body animation. Special Interest Group on Computer Graphics and Interactive Techniques
    Conference Conference Papers ’24. SIGGRAPH: Computer Graphics and Interactive
    Techniques Conference.'
  mla: Chen, Yi-Lu, et al. “Primal-Dual Non-Smooth Friction for Rigid Body Animation.”
    <i>Special Interest Group on Computer Graphics and Interactive Techniques Conference
    Conference Papers ’24</i>, Association for Computing Machinery, 2024, doi:<a href="https://doi.org/10.1145/3641519.3657485">10.1145/3641519.3657485</a>.
  short: Y.-L. Chen, M. Ly, C. Wojtan, in:, Special Interest Group on Computer Graphics
    and Interactive Techniques Conference Conference Papers ’24, Association for Computing
    Machinery, 2024.
conference:
  end_date: 2024-08-01
  location: Denver, United States
  name: 'SIGGRAPH: Computer Graphics and Interactive Techniques Conference'
  start_date: 2024-07-28
corr_author: '1'
date_created: 2024-07-10T11:06:20Z
date_published: 2024-07-01T00:00:00Z
date_updated: 2025-09-08T08:54:38Z
day: '01'
ddc:
- '621'
- '531'
- '006'
department:
- _id: GradSch
- _id: ChWo
doi: 10.1145/3641519.3657485
external_id:
  isi:
  - '001282218200091'
file:
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  date_created: 2024-07-10T11:03:12Z
  date_updated: 2024-07-10T11:03:12Z
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  date_created: 2024-07-10T11:03:58Z
  date_updated: 2024-07-10T11:03:58Z
  file_id: '17218'
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  file_size: 280610763
  relation: main_file
  success: 1
file_date_updated: 2024-07-10T11:03:58Z
has_accepted_license: '1'
isi: 1
keyword:
- physical simulation
- frictional contact
- rigid body mechanics
- non-smooth dynamics
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
project:
- _id: 34bc2376-11ca-11ed-8bc3-9a3b3961a088
  grant_number: '101045083'
  name: Computational Discovery of Numerical Algorithms for Animation and Simulation
    of Natural Phenomena
publication: Special Interest Group on Computer Graphics and Interactive Techniques
  Conference Conference Papers '24
publication_identifier:
  isbn:
  - '9798400705250'
publication_status: published
publisher: Association for Computing Machinery
quality_controlled: '1'
scopus_import: '1'
status: public
title: Primal-dual non-smooth friction for rigid body animation
type: conference
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
year: '2024'
...
---
OA_place: publisher
OA_type: hybrid
_id: '17219'
abstract:
- lang: eng
  text: 'We introduce a multi-material non-manifold mesh-based surface tracking algorithm
    that converts self-intersections into topological changes. Our algorithm generalizes
    prior work on manifold surface tracking with topological changes: it preserves
    surface features like mesh-based methods, and it robustly handles topological
    changes like level set methods. Our method also offers improved efficiency and
    robustness over the state of the art. We demonstrate the effectiveness of the
    approach on a range of examples, including complex soap film simulations with
    thousands of interacting bubbles, and boolean unions of non-manifold meshes consisting
    of millions of triangles.'
acknowledgement: Peter Heiss-Synak helped conceive the project, helped formulate the
  algorithm structure, contributed ideas and code to Sections 6 & 8, the mesh data
  structure, algorithm robustness and benchmarks, helped write the paper, and provided
  supervision and conceptual solutions throughout the project. Aleksei Kalinov contributed
  ideas and code to Sections 7, 8.5, and 5, the sparse grid data structure, algorithm
  robustness and benchmarks, optimized the performance, produced all results, most
  figures, and the supplementary video, helped write the text, and provided conceptual
  solutions throughout the project. Malina Strugaru helped implement the mesh data
  structure and designed re-meshing operations for non-manifold triangle meshes. Arian
  Etemadi developed early prototypes for ideas in Sections 8.1 and 8.3 and helped
  write the paper. Huidong Yang developed early prototypes for isosurface extraction
  and visualization. Chris Wojtan helped conceive the project, helped write the paper,
  and provided supervision, prototype grid data structure code, and conceptual solutions
  throughout the project. We thank the anonymous reviewers for their helpful comments,
  the members of the Visual Computing Group at ISTA for their feedback, Christopher
  Batty for discussions about LosTopos, and SideFX for the Houdini Education software
  licenses.  This research was funded in part by the European Union (ERC-2021-COG
  101045083 CoDiNA).
article_number: '54'
article_processing_charge: Yes (via OA deal)
article_type: original
author:
- first_name: Peter
  full_name: Synak, Peter
  id: 331776E2-F248-11E8-B48F-1D18A9856A87
  last_name: Synak
- first_name: Aleksei
  full_name: Kalinov, Aleksei
  id: 44b7120e-eb97-11eb-a6c2-e1557aa81d02
  last_name: Kalinov
  orcid: 0000-0003-2189-3904
- first_name: Irina-Malina
  full_name: Strugaru, Irina-Malina
  id: 2afc607f-f128-11eb-9611-8f2a0dfcf074
  last_name: Strugaru
- first_name: Arian
  full_name: Etemadihaghighi, Arian
  id: 36cea3aa-f38e-11ec-8ae0-c65ae6f6098f
  last_name: Etemadihaghighi
- first_name: Huidong
  full_name: Yang, Huidong
  last_name: Yang
- first_name: Christopher J
  full_name: Wojtan, Christopher J
  id: 3C61F1D2-F248-11E8-B48F-1D18A9856A87
  last_name: Wojtan
  orcid: 0000-0001-6646-5546
citation:
  ama: Synak P, Kalinov A, Strugaru I-M, Etemadi A, Yang H, Wojtan C. Multi-material
    mesh-based surface tracking with implicit topology changes. <i>ACM Transactions
    on Graphics</i>. 2024;43(4). doi:<a href="https://doi.org/10.1145/3658223">10.1145/3658223</a>
  apa: Synak, P., Kalinov, A., Strugaru, I.-M., Etemadi, A., Yang, H., &#38; Wojtan,
    C. (2024). Multi-material mesh-based surface tracking with implicit topology changes.
    <i>ACM Transactions on Graphics</i>. Association for Computing Machinery. <a href="https://doi.org/10.1145/3658223">https://doi.org/10.1145/3658223</a>
  chicago: Synak, Peter, Aleksei Kalinov, Irina-Malina Strugaru, Arian Etemadi, Huidong
    Yang, and Chris Wojtan. “Multi-Material Mesh-Based Surface Tracking with Implicit
    Topology Changes.” <i>ACM Transactions on Graphics</i>. Association for Computing
    Machinery, 2024. <a href="https://doi.org/10.1145/3658223">https://doi.org/10.1145/3658223</a>.
  ieee: P. Synak, A. Kalinov, I.-M. Strugaru, A. Etemadi, H. Yang, and C. Wojtan,
    “Multi-material mesh-based surface tracking with implicit topology changes,” <i>ACM
    Transactions on Graphics</i>, vol. 43, no. 4. Association for Computing Machinery,
    2024.
  ista: Synak P, Kalinov A, Strugaru I-M, Etemadi A, Yang H, Wojtan C. 2024. Multi-material
    mesh-based surface tracking with implicit topology changes. ACM Transactions on
    Graphics. 43(4), 54.
  mla: Synak, Peter, et al. “Multi-Material Mesh-Based Surface Tracking with Implicit
    Topology Changes.” <i>ACM Transactions on Graphics</i>, vol. 43, no. 4, 54, Association
    for Computing Machinery, 2024, doi:<a href="https://doi.org/10.1145/3658223">10.1145/3658223</a>.
  short: P. Synak, A. Kalinov, I.-M. Strugaru, A. Etemadi, H. Yang, C. Wojtan, ACM
    Transactions on Graphics 43 (2024).
corr_author: '1'
date_created: 2024-07-10T12:24:00Z
date_published: 2024-07-01T00:00:00Z
date_updated: 2026-04-07T13:02:36Z
day: '01'
ddc:
- '004'
department:
- _id: GradSch
- _id: ChWo
doi: 10.1145/3658223
external_id:
  isi:
  - '001289270900021'
file:
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  checksum: 1917067d4b52d7729019b03560004e43
  content_type: application/pdf
  creator: dernst
  date_created: 2024-07-23T06:35:15Z
  date_updated: 2024-07-23T06:35:15Z
  file_id: '17317'
  file_name: 2024_ACMToG_HeissSynak.pdf
  file_size: 48763368
  relation: main_file
  success: 1
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  checksum: a4f0e293184bfa034c0c585848806b17
  content_type: video/mp4
  creator: akalinov
  date_created: 2024-07-10T12:23:44Z
  date_updated: 2024-07-10T12:23:44Z
  file_id: '17221'
  file_name: sdtopofixer_final.mp4
  file_size: 48021463
  relation: main_file
  success: 1
- access_level: open_access
  checksum: 18fc310a78ec91651148c45a8b89fa44
  content_type: application/pdf
  creator: akalinov
  date_created: 2025-11-11T09:50:52Z
  date_updated: 2025-11-11T09:50:52Z
  file_id: '20633'
  file_name: SuperDuperTopoFixer.pdf
  file_size: 48639581
  relation: preprint
  title: Authors' version of the text
file_date_updated: 2025-11-11T09:50:52Z
has_accepted_license: '1'
intvolume: '        43'
isi: 1
issue: '4'
keyword:
- surface tracking
- topology change
- non- manifold meshes
- multi-material flows
- solid modeling
language:
- iso: eng
license: https://creativecommons.org/licenses/by-nc-sa/4.0/
month: '07'
oa: 1
oa_version: Published Version
project:
- _id: 34bc2376-11ca-11ed-8bc3-9a3b3961a088
  grant_number: '101045083'
  name: Computational Discovery of Numerical Algorithms for Animation and Simulation
    of Natural Phenomena
publication: ACM Transactions on Graphics
publication_identifier:
  eissn:
  - 1557-7368
  issn:
  - 0730-0301
publication_status: published
publisher: Association for Computing Machinery
quality_controlled: '1'
related_material:
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  - id: '19630'
    relation: dissertation_contains
    status: public
  - id: '18301'
    relation: dissertation_contains
    status: public
scopus_import: '1'
status: public
title: Multi-material mesh-based surface tracking with implicit topology changes
tmp:
  image: /images/cc_by_nc_sa.png
  legal_code_url: https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC
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  short: CC BY-NC-SA (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 43
year: '2024'
...
---
_id: '17278'
abstract:
- lang: eng
  text: An azeotrope is a constant boiling point mixture, and its behavior is important
    for fluid separation processes. Predicting azeotropes from atomistic simulations
    is difficult due to the complexities and convergence problems of Monte Carlo and
    free-energy perturbation techniques. Here, we present a methodology for predicting
    the azeotropes of binary mixtures, which computes the compositional dependence
    of chemical potentials from molecular dynamics simulations using the S0 method
    and employs experimental boiling point and vaporization enthalpy data. Using this
    methodology, we reproduce the azeotropes, or lack thereof, in five case studies,
    including ethanol/water, ethanol/isooctane, methanol/water, hydrazine/water, and
    acetone/chloroform mixtures. We find that it is crucial to use the experimental
    boiling point and vaporization enthalpy for reliable azeotrope predictions, as
    empirical force fields are not accurate enough for these quantities. Finally,
    we use regular solution models to rationalize the azeotropes and reveal that they
    tend to form when the mixture components have similar boiling points and strong
    interactions.
acknowledgement: B.C. thanks Alessandro Laio, who introduced the phenomenon of azeotrope
  and suggested using the S0 method to compute it. B.C. and X.W. thank Felix Wodaczek
  for the insightful comments and suggestions on the manuscript. B.C. and X.W. acknowledge
  the resources provided by the Cambridge Tier-2 system operated by the University
  of Cambridge Research Computing Service, funded by EPSRC Tier-2 capital (Grant No.
  EP/P020259/1).
article_number: '034111'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Xiaoyu
  full_name: Wang, Xiaoyu
  id: 8dff9c62-32b0-11ee-9fa8-fc73025e10f3
  last_name: Wang
- first_name: Bingqing
  full_name: Cheng, Bingqing
  id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
  last_name: Cheng
  orcid: 0000-0002-3584-9632
citation:
  ama: Wang X, Cheng B. Integrating molecular dynamics simulations and experimental
    data for azeotrope predictions in binary mixtures. <i>Journal of Chemical Physics</i>.
    2024;161(3). doi:<a href="https://doi.org/10.1063/5.0217232">10.1063/5.0217232</a>
  apa: Wang, X., &#38; Cheng, B. (2024). Integrating molecular dynamics simulations
    and experimental data for azeotrope predictions in binary mixtures. <i>Journal
    of Chemical Physics</i>. AIP Publishing. <a href="https://doi.org/10.1063/5.0217232">https://doi.org/10.1063/5.0217232</a>
  chicago: Wang, Xiaoyu, and Bingqing Cheng. “Integrating Molecular Dynamics Simulations
    and Experimental Data for Azeotrope Predictions in Binary Mixtures.” <i>Journal
    of Chemical Physics</i>. AIP Publishing, 2024. <a href="https://doi.org/10.1063/5.0217232">https://doi.org/10.1063/5.0217232</a>.
  ieee: X. Wang and B. Cheng, “Integrating molecular dynamics simulations and experimental
    data for azeotrope predictions in binary mixtures,” <i>Journal of Chemical Physics</i>,
    vol. 161, no. 3. AIP Publishing, 2024.
  ista: Wang X, Cheng B. 2024. Integrating molecular dynamics simulations and experimental
    data for azeotrope predictions in binary mixtures. Journal of Chemical Physics.
    161(3), 034111.
  mla: Wang, Xiaoyu, and Bingqing Cheng. “Integrating Molecular Dynamics Simulations
    and Experimental Data for Azeotrope Predictions in Binary Mixtures.” <i>Journal
    of Chemical Physics</i>, vol. 161, no. 3, 034111, AIP Publishing, 2024, doi:<a
    href="https://doi.org/10.1063/5.0217232">10.1063/5.0217232</a>.
  short: X. Wang, B. Cheng, Journal of Chemical Physics 161 (2024).
corr_author: '1'
date_created: 2024-07-21T22:01:00Z
date_published: 2024-07-14T00:00:00Z
date_updated: 2025-09-08T08:26:09Z
day: '14'
department:
- _id: BiCh
- _id: GradSch
doi: 10.1063/5.0217232
external_id:
  arxiv:
  - '2405.02216'
  isi:
  - '001281819100016'
  pmid:
  - '39007379'
intvolume: '       161'
isi: 1
issue: '3'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2405.02216
month: '07'
oa: 1
oa_version: Preprint
pmid: 1
publication: Journal of Chemical Physics
publication_identifier:
  eissn:
  - 1089-7690
  issn:
  - 0021-9606
publication_status: published
publisher: AIP Publishing
quality_controlled: '1'
related_material:
  link:
  - relation: software
    url: https://github.com/Xiaoyu-Wang-Stone/Azeotrope_S0
scopus_import: '1'
status: public
title: Integrating molecular dynamics simulations and experimental data for azeotrope
  predictions in binary mixtures
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 161
year: '2024'
...
---
OA_place: publisher
OA_type: hybrid
_id: '17283'
abstract:
- lang: eng
  text: 'We consider the problems of statically refuting equivalence and similarity
    of output distributions defined by a pair of probabilistic programs. Equivalence
    and similarity are two fundamental relational properties of probabilistic programs
    that are essential for their correctness both in implementation and in compilation.
    In this work, we present a new method for static equivalence and similarity refutation.
    Our method refutes equivalence and similarity by computing a function over program
    outputs whose expected value with respect to the output distributions of two programs
    is different. The function is computed simultaneously with an upper expectation
    supermartingale and a lower expectation submartingale for the two programs, which
    we show to together provide a formal certificate for refuting equivalence and
    similarity. To the best of our knowledge, our method is the first approach to
    relational program analysis to offer the combination of the following desirable
    features: (1) it is fully automated, (2) it is applicable to infinite-state probabilistic
    programs, and (3) it provides formal guarantees on the correctness of its results.
    We implement a prototype of our method and our experiments demonstrate the effectiveness
    of our method to refute equivalence and similarity for a number of examples collected
    from the literature.'
acknowledgement: "This research was partially supported by the ERC CoG 863818 (ForM-SMArt)
  grant. Petr Novotný\r\nis supported by the Czech Science Foundation grant no. GA23-06963S.\r\n"
article_number: '232'
article_processing_charge: Yes (via OA deal)
article_type: original
arxiv: 1
author:
- first_name: Krishnendu
  full_name: Chatterjee, Krishnendu
  id: 2E5DCA20-F248-11E8-B48F-1D18A9856A87
  last_name: Chatterjee
  orcid: 0000-0002-4561-241X
- first_name: Ehsan
  full_name: Kafshdar Goharshadi, Ehsan
  id: 103b4fa0-896a-11ed-bdf8-87b697bef40d
  last_name: Kafshdar Goharshadi
  orcid: 0000-0002-8595-0587
- first_name: Petr
  full_name: Novotný, Petr
  id: 3CC3B868-F248-11E8-B48F-1D18A9856A87
  last_name: Novotný
- first_name: Dorde
  full_name: Zikelic, Dorde
  id: 294AA7A6-F248-11E8-B48F-1D18A9856A87
  last_name: Zikelic
  orcid: 0000-0002-4681-1699
citation:
  ama: Chatterjee K, Goharshady E, Novotný P, Zikelic D. Equivalence and similarity
    refutation for probabilistic programs. <i>Proceedings of the ACM on Programming
    Languages</i>. 2024;8. doi:<a href="https://doi.org/10.1145/3656462">10.1145/3656462</a>
  apa: Chatterjee, K., Goharshady, E., Novotný, P., &#38; Zikelic, D. (2024). Equivalence
    and similarity refutation for probabilistic programs. <i>Proceedings of the ACM
    on Programming Languages</i>. Association for Computing Machinery. <a href="https://doi.org/10.1145/3656462">https://doi.org/10.1145/3656462</a>
  chicago: Chatterjee, Krishnendu, Ehsan Goharshady, Petr Novotný, and Dorde Zikelic.
    “Equivalence and Similarity Refutation for Probabilistic Programs.” <i>Proceedings
    of the ACM on Programming Languages</i>. Association for Computing Machinery,
    2024. <a href="https://doi.org/10.1145/3656462">https://doi.org/10.1145/3656462</a>.
  ieee: K. Chatterjee, E. Goharshady, P. Novotný, and D. Zikelic, “Equivalence and
    similarity refutation for probabilistic programs,” <i>Proceedings of the ACM on
    Programming Languages</i>, vol. 8. Association for Computing Machinery, 2024.
  ista: Chatterjee K, Goharshady E, Novotný P, Zikelic D. 2024. Equivalence and similarity
    refutation for probabilistic programs. Proceedings of the ACM on Programming Languages.
    8, 232.
  mla: Chatterjee, Krishnendu, et al. “Equivalence and Similarity Refutation for Probabilistic
    Programs.” <i>Proceedings of the ACM on Programming Languages</i>, vol. 8, 232,
    Association for Computing Machinery, 2024, doi:<a href="https://doi.org/10.1145/3656462">10.1145/3656462</a>.
  short: K. Chatterjee, E. Goharshady, P. Novotný, D. Zikelic, Proceedings of the
    ACM on Programming Languages 8 (2024).
corr_author: '1'
date_created: 2024-07-21T22:01:01Z
date_published: 2024-06-20T00:00:00Z
date_updated: 2025-04-14T07:52:47Z
day: '20'
ddc:
- '000'
department:
- _id: KrCh
- _id: GradSch
doi: 10.1145/3656462
ec_funded: 1
external_id:
  arxiv:
  - '2404.03430'
file:
- access_level: open_access
  checksum: 8cbf220f284a4a87d093db5320c5afdd
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  creator: dernst
  date_created: 2024-07-22T07:17:14Z
  date_updated: 2024-07-22T07:17:14Z
  file_id: '17290'
  file_name: 2024_ACMProgLang_Chatterjee.pdf
  file_size: 355421
  relation: main_file
  success: 1
file_date_updated: 2024-07-22T07:17:14Z
has_accepted_license: '1'
intvolume: '         8'
language:
- iso: eng
month: '06'
oa: 1
oa_version: Published Version
project:
- _id: 0599E47C-7A3F-11EA-A408-12923DDC885E
  call_identifier: H2020
  grant_number: '863818'
  name: 'Formal Methods for Stochastic Models: Algorithms and Applications'
publication: Proceedings of the ACM on Programming Languages
publication_identifier:
  eissn:
  - 2475-1421
publication_status: published
publisher: Association for Computing Machinery
quality_controlled: '1'
scopus_import: '1'
status: public
title: Equivalence and similarity refutation for probabilistic programs
tmp:
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  short: CC BY (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 8
year: '2024'
...
---
OA_place: publisher
_id: '17336'
abstract:
- lang: eng
  text: "This thesis deals with the study of stochastic processes and their ergodicity
    properties. The\r\nvariety of problems encountered calls for a set of different
    approaches, ranging from classical to\r\nmodern ones: a special place is held
    by probabilistic methods based on couplings, by functional\r\ninequalities, and
    by the theory of gradient flows in the space of measures.\r\n\r\nThe material
    is organized as follows. Chapter 1 contains the introduction to this thesis, starting\r\nwith
    a general presentation of some of the relevant topics. Section 1.1 is dedicated
    to the\r\ntheory of gradient flows in metric spaces, and introduces the first
    contribution of this thesis\r\n[DSMP24], which is presented in detail in Chapter
    2. Section 1.2 moves to the topic of\r\ncurvature of Markov chains, concluding
    with a brief description of our second contribution\r\n[Ped23], which is included
    in Chapter 3. Section 1.3 discusses applications of stochastic\r\nprocesses to
    the theory of sampling, in particular the recent framework of score-based diffusion\r\nmodels,
    and our contribution [PMM24], which is contained in Chapter 4. Section 1.4 discusses\r\nsome
    related problems, concerning the regularization properties of the heat flow. It
    serves\r\nas a motivation for the work [BP24], which we report in Chapter 5. Finally,
    Section 1.5\r\ndiscusses the last contribution of this thesis, which can be found
    in Chapter 6. It deals with\r\nthe convergence to equilibrium of a particular
    stochastic model from quantitative genetics:\r\nthis is established via some functional
    inequalities, which we prove with probabilistic arguments\r\nbased on couplings.\r\n"
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Francesco
  full_name: Pedrotti, Francesco
  id: d3ac8ac6-dc8d-11ea-abe3-e2a9628c4c3c
  last_name: Pedrotti
citation:
  ama: Pedrotti F. Functional inequalities and convergence of stochastic processes.
    2024. doi:<a href="https://doi.org/10.15479/at:ista:17336">10.15479/at:ista:17336</a>
  apa: Pedrotti, F. (2024). <i>Functional inequalities and convergence of stochastic
    processes</i>. Institute of Science and Technology Austria. <a href="https://doi.org/10.15479/at:ista:17336">https://doi.org/10.15479/at:ista:17336</a>
  chicago: Pedrotti, Francesco. “Functional Inequalities and Convergence of Stochastic
    Processes.” Institute of Science and Technology Austria, 2024. <a href="https://doi.org/10.15479/at:ista:17336">https://doi.org/10.15479/at:ista:17336</a>.
  ieee: F. Pedrotti, “Functional inequalities and convergence of stochastic processes,”
    Institute of Science and Technology Austria, 2024.
  ista: Pedrotti F. 2024. Functional inequalities and convergence of stochastic processes.
    Institute of Science and Technology Austria.
  mla: Pedrotti, Francesco. <i>Functional Inequalities and Convergence of Stochastic
    Processes</i>. Institute of Science and Technology Austria, 2024, doi:<a href="https://doi.org/10.15479/at:ista:17336">10.15479/at:ista:17336</a>.
  short: F. Pedrotti, Functional Inequalities and Convergence of Stochastic Processes,
    Institute of Science and Technology Austria, 2024.
corr_author: '1'
date_created: 2024-07-29T09:14:14Z
date_published: 2024-07-31T00:00:00Z
date_updated: 2026-04-07T13:00:03Z
day: '31'
ddc:
- '500'
- '510'
- '515'
- '519'
degree_awarded: PhD
department:
- _id: GradSch
- _id: JaMa
doi: 10.15479/at:ista:17336
ec_funded: 1
file:
- access_level: open_access
  checksum: 11650bab714ef85ad43a287060850523
  content_type: application/pdf
  creator: fpedrott
  date_created: 2024-08-02T09:23:26Z
  date_updated: 2024-08-02T09:23:26Z
  file_id: '17366'
  file_name: thesis_final.pdf
  file_size: 2941599
  relation: main_file
  success: 1
- access_level: closed
  checksum: c30ba5611941226cf1bfc867c25b1e80
  content_type: application/x-zip-compressed
  creator: fpedrott
  date_created: 2024-08-02T09:27:15Z
  date_updated: 2024-08-02T09:27:15Z
  file_id: '17367'
  file_name: thesis_final_source.zip
  file_size: 6293375
  relation: source_file
file_date_updated: 2024-08-02T09:27:15Z
has_accepted_license: '1'
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
page: '183'
project:
- _id: 256E75B8-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '716117'
  name: Optimal Transport and Stochastic Dynamics
- _id: fc31cba2-9c52-11eb-aca3-ff467d239cd2
  grant_number: F6504
  name: Taming Complexity in Partial Differential Systems
publication_identifier:
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
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  - id: '17351'
    relation: part_of_dissertation
    status: public
  - id: '17353'
    relation: part_of_dissertation
    status: public
  - id: '17350'
    relation: part_of_dissertation
    status: public
  - id: '17352'
    relation: part_of_dissertation
    status: public
  - id: '17143'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Jan
  full_name: Maas, Jan
  id: 4C5696CE-F248-11E8-B48F-1D18A9856A87
  last_name: Maas
  orcid: 0000-0002-0845-1338
title: Functional inequalities and convergence of stochastic processes
tmp:
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  legal_code_url: https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
    (CC BY-NC-ND 4.0)
  short: CC BY-NC-ND (4.0)
type: dissertation
user_id: ba8df636-2132-11f1-aed0-ed93e2281fdd
year: '2024'
...
---
_id: '17344'
abstract:
- lang: eng
  text: 'This file contains the Mathematica notebook associated with the paper Effect
    of assortative mating and sexual selection on polygenic barriers to gene flow.
    It contains the numerical approximations, analyses, and simulations used in the
    study. '
acknowledged_ssus:
- _id: ScienComp
article_processing_charge: No
author:
- first_name: Parvathy
  full_name: Surendranadh, Parvathy
  id: 455235B8-F248-11E8-B48F-1D18A9856A87
  last_name: Surendranadh
  orcid: 0000-0001-6395-386X
- first_name: Himani
  full_name: Sachdeva, Himani
  last_name: Sachdeva
citation:
  ama: Surendranadh P, Sachdeva H. Mathematica notebook for “Effect of assortative
    mating and sexual selection on polygenic barriers to gene flow.” 2024. doi:<a
    href="https://doi.org/10.15479/AT:ISTA:17344">10.15479/AT:ISTA:17344</a>
  apa: Surendranadh, P., &#38; Sachdeva, H. (2024). Mathematica notebook for “Effect
    of assortative mating and sexual selection on polygenic barriers to gene flow.”
    Institute of Science and Technology Austria. <a href="https://doi.org/10.15479/AT:ISTA:17344">https://doi.org/10.15479/AT:ISTA:17344</a>
  chicago: Surendranadh, Parvathy, and Himani Sachdeva. “Mathematica Notebook for
    ‘Effect of Assortative Mating and Sexual Selection on Polygenic Barriers to Gene
    Flow.’” Institute of Science and Technology Austria, 2024. <a href="https://doi.org/10.15479/AT:ISTA:17344">https://doi.org/10.15479/AT:ISTA:17344</a>.
  ieee: P. Surendranadh and H. Sachdeva, “Mathematica notebook for ‘Effect of assortative
    mating and sexual selection on polygenic barriers to gene flow.’” Institute of
    Science and Technology Austria, 2024.
  ista: Surendranadh P, Sachdeva H. 2024. Mathematica notebook for ‘Effect of assortative
    mating and sexual selection on polygenic barriers to gene flow’, Institute of
    Science and Technology Austria, <a href="https://doi.org/10.15479/AT:ISTA:17344">10.15479/AT:ISTA:17344</a>.
  mla: Surendranadh, Parvathy, and Himani Sachdeva. <i>Mathematica Notebook for “Effect
    of Assortative Mating and Sexual Selection on Polygenic Barriers to Gene Flow.”</i>
    Institute of Science and Technology Austria, 2024, doi:<a href="https://doi.org/10.15479/AT:ISTA:17344">10.15479/AT:ISTA:17344</a>.
  short: P. Surendranadh, H. Sachdeva, (2024).
date_created: 2024-07-29T14:01:43Z
date_published: 2024-07-01T00:00:00Z
date_updated: 2025-01-14T13:02:59Z
ddc:
- '576'
department:
- _id: GradSch
- _id: NiBa
doi: 10.15479/AT:ISTA:17344
file:
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  checksum: 75bdbc7ad7cc6afe4459bc4a8824a302
  content_type: application/octet-stream
  creator: psurendr
  date_created: 2024-07-29T13:51:11Z
  date_updated: 2024-07-29T13:51:11Z
  file_id: '17345'
  file_name: Submission.nb
  file_size: 726132
  relation: main_file
  success: 1
file_date_updated: 2024-07-29T13:51:11Z
has_accepted_license: '1'
month: '07'
oa: 1
oa_version: Published Version
publisher: Institute of Science and Technology Austria
status: public
title: Mathematica notebook for 'Effect of assortative mating and sexual selection
  on polygenic barriers to gene flow'
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: research_data
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2024'
...
---
OA_place: repository
_id: '17361'
abstract:
- lang: eng
  text: We present symplectic structures on the shape space of unparameterized space
    curves that generalize the classical Marsden-Weinstein structure. Our method integrates
    the Liouville 1-form of the Marsden-Weinstein structure with Riemannian structures
    that have been introduced in mathematical shape analysis. We also derive Hamiltonian
    vector fields for several classical Hamiltonian functions with respect to these
    new symplectic structures.
acknowledgement: The authors are grateful to Boris Khesin for valuable comments on
  the MW symplectic structure and S. Ishida thanks Albert Chern for insightful discussions
  on space curves and Chris Wojtan for his continuous support. M. Bauer was partially
  supported by NSF grant DMS-1953244 and by the Binational Science Foundation (BSF).
  S. Ishida was partially supported by ERC Consolidator Grant 101045083 “CoDiNA” funded
  by the European Research Council. Some figures were generated by the software Houdini
  and its education license was provided by SideFX.
article_processing_charge: No
arxiv: 1
author:
- first_name: Martin
  full_name: Bauer, Martin
  last_name: Bauer
- first_name: Sadashige
  full_name: Ishida, Sadashige
  id: 6F7C4B96-A8E9-11E9-A7CA-09ECE5697425
  last_name: Ishida
  orcid: 0000-0002-3121-3100
- first_name: Peter W.
  full_name: Michor, Peter W.
  last_name: Michor
citation:
  ama: Bauer M, Ishida S, Michor PW. Symplectic structures on the space of space curves.
    <i>arXiv</i>. doi:<a href="https://doi.org/10.48550/arXiv.2407.19908">10.48550/arXiv.2407.19908</a>
  apa: Bauer, M., Ishida, S., &#38; Michor, P. W. (n.d.). Symplectic structures on
    the space of space curves. <i>arXiv</i>. <a href="https://doi.org/10.48550/arXiv.2407.19908">https://doi.org/10.48550/arXiv.2407.19908</a>
  chicago: Bauer, Martin, Sadashige Ishida, and Peter W. Michor. “Symplectic Structures
    on the Space of Space Curves.” <i>ArXiv</i>, n.d. <a href="https://doi.org/10.48550/arXiv.2407.19908">https://doi.org/10.48550/arXiv.2407.19908</a>.
  ieee: M. Bauer, S. Ishida, and P. W. Michor, “Symplectic structures on the space
    of space curves,” <i>arXiv</i>. .
  ista: Bauer M, Ishida S, Michor PW. Symplectic structures on the space of space
    curves. arXiv, <a href="https://doi.org/10.48550/arXiv.2407.19908">10.48550/arXiv.2407.19908</a>.
  mla: Bauer, Martin, et al. “Symplectic Structures on the Space of Space Curves.”
    <i>ArXiv</i>, doi:<a href="https://doi.org/10.48550/arXiv.2407.19908">10.48550/arXiv.2407.19908</a>.
  short: M. Bauer, S. Ishida, P.W. Michor, ArXiv (n.d.).
date_created: 2024-08-01T06:34:08Z
date_published: 2024-07-29T00:00:00Z
date_updated: 2026-04-28T09:59:01Z
day: '29'
department:
- _id: GradSch
- _id: ChWo
doi: 10.48550/arXiv.2407.19908
external_id:
  arxiv:
  - '2407.19908'
keyword:
- space of space curves
- symplectic stuctures
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2407.19908
month: '07'
oa: 1
oa_version: Preprint
project:
- _id: 34bc2376-11ca-11ed-8bc3-9a3b3961a088
  grant_number: '101045083'
  name: Computational Discovery of Numerical Algorithms for Animation and Simulation
    of Natural Phenomena
publication: arXiv
publication_status: draft
related_material:
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  - id: '20551'
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    status: public
  - id: '21743'
    relation: later_version
    status: public
status: public
title: Symplectic structures on the space of space curves
type: preprint
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2024'
...
