activity
20212026
most citedComputing excited states of molecules using normalizing flows

9 citations · 13 across the 11 of their papers we have counts for

collaborators

11 papers

math.NA2026

Convergence theory for Hermite approximations under adaptive coordinate transformations

Yahya Saleh

Recent work has shown that parameterizing and optimizing coordinate transformations using normalizing flows, i.e., invertible neural networks, can significantly accelerate the conv…

math.NA2025

Enhancing polynomial approximation of continuous functions by composition with homeomorphisms

Álvaro Fernández Corral, Yahya Saleh

We enhance the approximation capabilities of algebraic polynomials by composing them with homeomorphisms. This composition yields families of functions that remain dense in the spa…

cs.SD2025

Sound Signal Synthesis with Auxiliary Classifier GAN, COVID-19 cough as an example

Yahya Sherif Solayman Mohamed Saleh, Ahmed Mohammed Dabbous, Lama Alkhaled +3

One of the fastest-growing domains in AI is healthcare. Given its importance, it has been the interest of many researchers to deploy ML models into the ever-demanding healthcare do…

physics.atm-clus2025

Taylor-mode automatic differentiation for constructing molecular rovibrational Hamiltonian operators

Andrey Yachmenev, Emil Vogt, Álvaro Fernández Corral +1

We present an automated framework for constructing Taylor series expansions of rovibrational kinetic and potential energy operators for arbitrary molecules, internal coordinate sys…

physics.chem-ph2025★ 4 cited

Transferability and interpretability of vibrational normalizing-flow coordinates

Emil Vogt, Álvaro Fernández Corral, Yahya Saleh +1

The choice of vibrational coordinates is crucial for the accuracy, efficiency, and interpretability of molecular vibrational dynamics and spectra calculations. We explore the recen…

stat.ML2024

Bounds on the Generalization Error in Active Learning

Vincent Menden, Yahya Saleh, Armin Iske

We establish empirical risk minimization principles for active learning by deriving a family of upper bounds on the generalization error. Aligning with empirical observations, the…

math.FA2024

Inducing Riesz and orthonormal bases in via composition operators

Yahya Saleh, Armin Iske

Let be a composition operator mapping into for some open sets . We characterize the mappings that transform Riesz b…

physics.chem-ph2023★ 9 cited

Computing excited states of molecules using normalizing flows

Yahya Saleh, Álvaro Fernández Corral, Emil Vogt +3

Calculations of highly excited and delocalized molecular vibrational states are computationally challenging tasks, which strongly depends on the choice of coordinates for describin…

cs.SD2023

Synthesizing Cough Audio with GAN for COVID-19 Detection

Yahya Saleh

For this final year project, the goal is to add to the published works within data synthesis for health care. The end product of this project is a trained model that generates synt…

math.NA2022

Augmenting Basis Sets by Normalizing Flows

Yahya Saleh, Armin Iske, Andrey Yachmenev +1

Approximating functions by a linear span of truncated basis sets is a standard procedure for the numerical solution of differential and integral equations. Commonly used concepts o…

physics.chem-ph2021

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

Yahya Saleh, Vishnu Sanjay, Armin Iske +2

Several pool-based active learning algorithms (AL) were employed to model potential energy surfaces (PESs) with a minimum number of electronic structure calculations. Theoretical a…