I develop machine-learning methods for problems in the natural sciences. My work sits between approximation theory and scientific machine learning: I use invertible neural networks and normalizing flows to learn adaptive approximation spaces, and apply them to quantum molecular physics and, more recently, image compression.
I am currently a consultant at d-fine GmbH and continue my research independently. Before that I was a postdoctoral researcher at the Department of Mathematics, Universität Hamburg, and did my PhD there and at the Center for Free-Electron Laser Science (CFEL), DESY.
- Inducing Riesz Bases in L² via Composition Operators
Y. Saleh, A. Iske · Complex Analysis and Operator Theory 20 (2026) · paper · arXiv - Convergence theory for Hermite approximations under adaptive coordinate transformations
Y. Saleh · arXiv preprint (2026) · arXiv - Computing Excited States of Molecules Using Normalizing Flows
Y. Saleh, Á. F. Corral, E. Vogt, A. Iske, J. Küpper, A. Yachmenev · Journal of Chemical Theory and Computation 21 (2025) · paper · arXiv - Bounds on the Generalization Error in Active Learning
V. Menden, Y. Saleh, A. Iske · Proceedings of the 6th Northern Lights Deep Learning Conference (NLDL) 265 (2025) · paper · arXiv - Active learning of potential-energy surfaces of weakly bound complexes with regression-tree ensembles
Y. Saleh, V. Sanjay, A. Iske, A. Yachmenev, J. Küpper · The Journal of Chemical Physics 155 (2021) · paper · code
All 11 publications
- E. Vogt, Á. F. Corral, Y. Saleh, Adaptive Vibrational Coordinates via Symmetry-Aware Normalizing Flows, Journal of Chemical Theory and Computation 22, 6137 (2026) · link
- Y. Saleh, A. Iske, Inducing Riesz Bases in L² via Composition Operators, Complex Analysis and Operator Theory 20, 21 (2026) · link
- Y. Saleh, Convergence theory for Hermite approximations under adaptive coordinate transformations, arXiv:2604.16975 (2026) · link
- A. Yachmenev, E. Vogt, Á. F. Corral, Y. Saleh, Taylor-mode automatic differentiation for constructing molecular rovibrational Hamiltonian operators, The Journal of Chemical Physics 163, 072501 (2025) · link
- E. Vogt, Á. F. Corral, Y. Saleh, A. Yachmenev, Transferability and interpretability of vibrational normalizing-flow coordinates, The Journal of Chemical Physics 163, 154106 (2025) · link
- Y. Saleh, Á. F. Corral, E. Vogt, A. Iske, J. Küpper, A. Yachmenev, Computing Excited States of Molecules Using Normalizing Flows, Journal of Chemical Theory and Computation 21, 5221–5229 (2025) · link
- V. Menden, Y. Saleh, A. Iske, Bounds on the Generalization Error in Active Learning, Proceedings of the 6th Northern Lights Deep Learning Conference (NLDL) 265, 168–175 (2025) · link
- Á. F. Corral, Y. Saleh, Enhancing polynomial approximation of continuous functions by composition with homeomorphisms, arXiv:2512.13740 (2025) · link
- T. Wenzel, Y. Saleh, A. Iske, Two-Layered and Deep Kernels as Data-Adapted Kernels, DEEPK 2024: International Workshop on Deep Learning and Kernel Machines (2024) · link
- Y. Saleh, A. Iske, A. Yachmenev, J. Küpper, Augmenting Basis Sets by Normalizing Flows, Proceedings in Applied Mathematics and Mechanics 23, e202200239 (2023) · link
- Y. Saleh, V. Sanjay, A. Iske, A. Yachmenev, J. Küpper, Active learning of potential-energy surfaces of weakly bound complexes with regression-tree ensembles, The Journal of Chemical Physics 155, 144109 (2021) · link
| Active-Learning-of-PES | Active learning of potential-energy surfaces with regression-tree ensembles |
| FlowBasis | Spectral learning — basis sets augmented by normalizing flows for solving differential equations |
| vibrojet | Molecular rovibrational kinetic and potential-energy operators via Taylor-mode automatic differentiation |
- 2026 · Learning, sharing, and using optimized vibrational coordinates — ExoMol 2026, University College London, United Kingdom (invited)
- 2026 · Learning bases via normalizing flows, applications to solving molecular Schrödinger equations and image compression — International Conference on Scientific Computing and Machine Learning, Bath, United Kingdom
- 2025 · Normalizing flows: from learning probability distributions to basis-set discovery — Linköping University, Sweden (invited)
- 2025 · Learning basis sets using unitary and bounded bijective operators — International Conference in Numerical Mathematics and Scientific Computing, Uppsala University, Sweden
- 2025 · Bounds on the generalization error in active learning — 6th Northern Lights Deep Learning Conference (NLDL), Tromsø, Norway (poster)
20 talks and posters in total, 6 of them invited — full list.
This profile is generated from the same data as my website and CV.
