Multitask learning with semiempirical orbital charges enables sample-efficient MLIPs

arXiv:2605.24073 · physics.chem-ph, cs.LG · Submitted 2026-05-22 · Read on arXiv

physics.chem-ph, cs.LG

Submitted: 2026-05-22

Updated: 2026-10-15

Comments: 13 pages, 6 figures

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• Sample Efficiency — 2× in this paper · explained in 7 episodes
• Accuracy — 1× in this paper · explained in 1 episode
• Density Functional Theory (DFT) — 1× in this paper · explained in 2 episodes
• Foundation Model — 1× in this paper · explained in 3 episodes
• Foundation Models — 1× in this paper · explained in 7 episodes
• Latent Space — 1× in this paper · explained in 7 episodes

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