arXiv Machine Learning By Can Polat, Erchin Serpedin, Mustafa Kurban, Hasan Kurban

Geometric Algebra Meets Cartesian Tensors: Higher-Order Equivariance for Interatomic Potentials

Read the original on arXiv Machine Learning →

arXiv:2606. 29584v1 Announce Type: cross Abstract: $\mathrm{Cl}(3,0)$ interatomic potentials, despite their algebraic elegance, predict force magnitudes accurately but force directions poorly.

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arXiv Machine Learning
Jul 30

Exact Symmetry as Algebra: A Machine-Verified Tensor Calculus that Enforces Physical Selection Rules

arXiv:2605. 20440v2 Announce Type: replace Abstract: Symmetry is central to the physical sciences, yet machine learning usually captures it only approximately, leaving a residual per-step equivariance error $\varepsilon$ that compounds with depth $M$ as $M\varepsilon$, whereas exact equivariance holds at unbounded depth; we demonstrate this divergence at fourteen orders of magnitude.

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