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arXiv AI By Paulina Hoyos, Shashanka Ubaru, Dongsung Huh, Vasileios Kalantzis, Kenneth L. Clarkson, Misha Kilmer, Haim Avron, Lior Horesh

Exact Symmetry as Algebra: Group-Structured Tensors that Enforce Physical Selection Rules

Read the original on arXiv AI →

The paper introduces a tensor algebra, ∗_G, that enforces exact symmetry in machine‑learned models of molecular and crystal responses. By applying this algebra to the Orb‑v3 force field, the authors demonstrate that many models incorrectly alter a crystal’s space group during relaxation, and they show how projections derived from ∗_G can correct these errors without retraining. The method yields reference‑free error bounds and symmetry‑preserving low‑rank approximations, reducing space‑group changes to at most 2%.

Machine-generated by The Flow from the publisher's headline and feed description — not written or checked by a human. The full article lives at arXiv AI.

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