Author

Alexander V. Shapeev

h-index 5 View on Semantic Scholar

We have 2 of 16 papers

We haven’t gathered this author’s papers yet. Follow them and we’ll fetch their work.

Not the right person? Other researchers publish under this name.

Preprint Oct 2026

Compressed magnetic Moment Tensor Potentials via low-rank matrix and tensor factorizations

We propose a parameter-reduced version of magnetic Moment Tensor Potential (mMTP) based on various matrix and tensor decompositions. The resulting compressed magnetic machine-learning potential reduces the number of parameters by a factor of approximately 1.5-3 without compromising predictive performance on the validat...

Alexey S. Kotykhov, Alexander V. Shapeev, Maxim V. Rakhuba et al. · 0 citations

Jul 2026

HEDGEHOG: Hierarchical Evaluation of Drug Generators Through Rigorous Filtration

HEDGEHOG is introduced, a unified six-stage filtration benchmark that is inspired by industrial hit identification workflows and exposes a central limitation of current molecular generators: molecules that appear acceptable under isolated criteria rarely satisfy medicinal chemistry, synthesis, docking, and 3D pose filt...

Daria A. Ryabchenko, Pavel Gurevich, S. Kadyrov et al. · arXiv.org · 0 citations