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physics.chem-ph2026
Low-rank approximation of Moment Tensor Potential enables reducing training set size without loss of accuracy
Anna Bondarenko, Nikita Rybin, Maxim Rakhuba +1
In this study, we implement a low-rank approximation of Moment Tensor Potential (MTP) based on the tensor train (TT) decomposition. The implemented tensor-factorized MTP (TFMTP) an…
physics.chem-ph2025★ 3 cited
Low-rank matrix and tensor approximations for compression of machine-learning interatomic potentials
Igor Vorotnikov, Fedor Romashov, Nikita Rybin +2
Machine-learning interatomic potentials (MLIPs) have become a mainstay in computationally-guided materials science, surpassing traditional force fields due to their flexible functi…