publications

2026

1. Adaptive Vibrational Coordinates via Symmetry-Aware Normalizing Flows

   Emil Vogt, Álvaro Fernández Corral, and Yahya Saleh

   Journal of Chemical Theory and Computation, 2026

   DOI Bib

   @article{vogt2026adaptive,
     title = {Adaptive Vibrational Coordinates via Symmetry-Aware Normalizing Flows},
     author = {Vogt, Emil and Corral, {\'A}lvaro Fern{\'a}ndez and Saleh, Yahya},
     journal = {Journal of Chemical Theory and Computation},
     volume = {22},
     number = {12},
     pages = {6137},
     year = {2026},
     doi = {10.1021/acs.jctc.6c00224},
   }

2. Inducing Riesz Bases in L^2 via Composition Operators

   Yahya Saleh and Armin Iske

   Complex Analysis and Operator Theory, 2026

   DOI arXiv Bib

   @article{saleh2026riesz,
     title = {Inducing Riesz Bases in {$L^2$} via Composition Operators},
     author = {Saleh, Yahya and Iske, Armin},
     journal = {Complex Analysis and Operator Theory},
     volume = {20},
     pages = {21},
     year = {2026},
     doi = {10.1007/s11785-025-01874-5},
   }

3. Convergence theory for Hermite approximations under adaptive coordinate transformations

   Yahya Saleh

   2026

   arXiv Bib

   @misc{saleh2026hermite,
     title = {Convergence theory for Hermite approximations under adaptive coordinate transformations},
     author = {Saleh, Yahya},
     year = {2026},
     archiveprefix = {arXiv},
     primaryclass = {math.NA},
   }

2025

1. Taylor-mode automatic differentiation for constructing molecular rovibrational Hamiltonian operators

   Andrey Yachmenev, Emil Vogt, Álvaro Fernández Corral, and Yahya Saleh

   The Journal of Chemical Physics, 2025

   DOI arXiv Bib Code

   @article{yachmenev2025taylor,
     title = {Taylor-mode automatic differentiation for constructing molecular rovibrational Hamiltonian operators},
     author = {Yachmenev, Andrey and Vogt, Emil and Corral, {\'A}lvaro Fern{\'a}ndez and Saleh, Yahya},
     journal = {The Journal of Chemical Physics},
     volume = {163},
     number = {7},
     pages = {072501},
     year = {2025},
     doi = {10.1063/5.0287347},
   }

2. Transferability and interpretability of vibrational normalizing-flow coordinates

   Emil Vogt, Álvaro Fernández Corral, Yahya Saleh, and Andrey Yachmenev

   The Journal of Chemical Physics, 2025

   DOI Bib

   @article{vogt2025transferability,
     title = {Transferability and interpretability of vibrational normalizing-flow coordinates},
     author = {Vogt, Emil and Corral, {\'A}lvaro Fern{\'a}ndez and Saleh, Yahya and Yachmenev, Andrey},
     journal = {The Journal of Chemical Physics},
     volume = {163},
     number = {15},
     pages = {154106},
     year = {2025},
     doi = {10.1063/5.0285954},
   }

3. Computing Excited States of Molecules Using Normalizing Flows

   Yahya Saleh, Álvaro Fernández Corral, Emil Vogt, Armin Iske, Jochen Küpper, and Andrey Yachmenev

   Journal of Chemical Theory and Computation, 2025

   DOI arXiv Bib

   @article{saleh2025excited,
     title = {Computing Excited States of Molecules Using Normalizing Flows},
     author = {Saleh, Yahya and Corral, {\'A}lvaro Fern{\'a}ndez and Vogt, Emil and Iske, Armin and K{\"u}pper, Jochen and Yachmenev, Andrey},
     journal = {Journal of Chemical Theory and Computation},
     volume = {21},
     number = {10},
     pages = {5221--5229},
     year = {2025},
     doi = {10.1021/acs.jctc.5c00590},
   }

4. Bounds on the Generalization Error in Active Learning

   V. Menden, Yahya Saleh, and Armin Iske

   In Proceedings of the 6th Northern Lights Deep Learning Conference (NLDL), 2025

   arXiv Bib HTML

   @inproceedings{menden2025bounds,
     title = {Bounds on the Generalization Error in Active Learning},
     author = {Menden, V. and Saleh, Yahya and Iske, Armin},
     booktitle = {Proceedings of the 6th Northern Lights Deep Learning Conference (NLDL)},
     series = {Proceedings of Machine Learning Research},
     volume = {265},
     pages = {168--175},
     year = {2025},
   }

5. Enhancing polynomial approximation of continuous functions by composition with homeomorphisms

   Álvaro Fernández Corral and Yahya Saleh

   2025

   arXiv Bib

   @misc{corral2025polynomial,
     title = {Enhancing polynomial approximation of continuous functions by composition with homeomorphisms},
     author = {Corral, {\'A}lvaro Fern{\'a}ndez and Saleh, Yahya},
     year = {2025},
     archiveprefix = {arXiv},
     primaryclass = {math.NA},
   }

2024

1. Two-Layered and Deep Kernels as Data-Adapted Kernels

   Tizian Wenzel, Yahya Saleh, and Armin Iske

   In DEEPK 2024: International Workshop on Deep Learning and Kernel Machines, 2024

   Bib PDF

   @inproceedings{wenzel2024kernels,
     title = {Two-Layered and Deep Kernels as Data-Adapted Kernels},
     author = {Wenzel, Tizian and Saleh, Yahya and Iske, Armin},
     booktitle = {DEEPK 2024: International Workshop on Deep Learning and Kernel Machines},
     address = {Leuven, Belgium},
     year = {2024},
   }

2023

1. Augmenting Basis Sets by Normalizing Flows

   Yahya Saleh, Armin Iske, Andrey Yachmenev, and Jochen Küpper

   Proceedings in Applied Mathematics and Mechanics, 2023

   DOI Bib

   @article{saleh2023augmenting,
     title = {Augmenting Basis Sets by Normalizing Flows},
     author = {Saleh, Yahya and Iske, Armin and Yachmenev, Andrey and K{\"u}pper, Jochen},
     journal = {Proceedings in Applied Mathematics and Mechanics},
     volume = {23},
     number = {1},
     pages = {e202200239},
     year = {2023},
     doi = {10.1002/pamm.202200239},
   }

2. Spectral and Active Learning for Enhanced and Computationally Scalable Quantum Molecular Dynamics

   Yahya Saleh

   Universität Hamburg, 2023

   Bib HTML

   @phdthesis{saleh2023thesis,
     title = {Spectral and Active Learning for Enhanced and Computationally Scalable Quantum Molecular Dynamics},
     author = {Saleh, Yahya},
     school = {Universit{\"a}t Hamburg},
     year = {2023},
   }

2021

1. Active learning of potential-energy surfaces of weakly bound complexes with regression-tree ensembles

   Yahya Saleh, V. Sanjay, Armin Iske, Andrey Yachmenev, and Jochen Küpper

   The Journal of Chemical Physics, 2021

   DOI Bib Code

   @article{saleh2021active,
     title = {Active learning of potential-energy surfaces of weakly bound complexes with regression-tree ensembles},
     author = {Saleh, Yahya and Sanjay, V. and Iske, Armin and Yachmenev, Andrey and K{\"u}pper, Jochen},
     journal = {The Journal of Chemical Physics},
     volume = {155},
     number = {14},
     pages = {144109},
     year = {2021},
     doi = {10.1063/5.0057051},
   }