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Performance comparison of optimization methods on variational quantum algorithms2023 Physical Review A article Computer Science Quantum Computing Algorithms and Architecture Open access
Xavier Bonet-Monroig, Hao Wang, Diederick Vermetten, Bruno Senjean, Charles Moussa, Thomas Bäck, +2 more
103citations -
Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding2025 The Journal of Physical Chemistry B article Computer Science Computational Drug Discovery Methods Open access
Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi, David Schaller, Aziz M. Rangwala, Jessica B. White, +10 more
14citations -
Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science Computational Drug Discovery Methods Open access
Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi, David Schaller, Aziz M. Rangwala, Jessica B. White, +10 more
3citations -
Integrating quantum and classical computing for multi-energy system optimization using Benders decomposition2024 Computers & Chemical Engineering article Computer Science Quantum Computing Algorithms and Architecture Open access
Ludger Leenders, Martin Sollich, Christiane Reinert, André Bardow
9citations -
Smaller generalization error derived for a deep residual neural network compared with shallow networks2022 IMA Journal of Numerical Analysis article Computer Science Stochastic Gradient Optimization Techniques Open access
Aku Kammonen, Jonas Kiessling, Petr Plecháč, Mattias Sandberg, Anders Szepessy, Raul F. Tempone
4citations -
Improved Automated CASH Optimization with Tree Parzen Estimators for Class Imbalance Problems2021 IEEE International Conference on Data Science and Advanced Analytics (DSAA) conference-paper Computer Science Machine Learning and Data Classification Open access
Duc Anh Nguyen, Jiawen Kong, Hao Wang, Stefan Menzel, Bernhard Sendhoff, Anna V. Kononova, +1 more
12citations