Krems, Roman V.
- Compositional optimization of quantum circuits for quantum kernels of support vector machines
2022/03/25 by Torabian, Elham, Krems, Roman V. · 2 citations
#FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Quantum Physics (quant-ph)
- Equivalence between exponential concentration in quantum machine learning kernels and barren plateaus in variational algorithms
2025/01/13 by Kairon, Pranav, Jäger, Jonas, Krems, Roman V. · 3 citations
#FOS: Physical sciences #Quantum Physics (quant-ph)
- Gaussian process model of 51-dimensional potential energy surface for protonated imidazole dimer
2020/01/20 by Hiroki Sugisawa, Sugisawa, Hiroki, Tomonori Ida +3 · 1 citation
Materials Science · Computer Science · Biochemistry, Genetics and Molecular Biology · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Protein Structure and Dynamics
- Efficient interpolation of molecular properties across chemical compound space with low-dimensional descriptors
2023/11/26 by Yun-Wen Mao, Mao, Yun-Wen, Roman V. Krems +1 · 1 citation
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Metabolomics and Mass Spectrometry Studies
- Interpolation and extrapolation of global potential energy surfaces for polyatomic systems by Gaussian processes with composite kernels
2019/07/19 by Dai, Jun, Krems, Roman V. · 1 citation
#Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences
- Molecular representations of quantum circuits for quantum machine learning
2025/03/07 by Torabian, Elham, Krems, Roman V. · 2 citations
#FOS: Physical sciences #Quantum Physics (quant-ph)