arXiv:2506. 09398v4 Announce Type: replace Abstract: We consider the task of predicting Hamiltonian matrices to accelerate electronic structure calculations, which plays an important role in physics, chemistry, and materials science.
By Haiyang Yu, Yuchao Lin, Xuan Zhang, Xiaofeng Qian, Shuiwang Ji
arXiv:2607. 10664v1 Announce Type: cross Abstract: In this paper, we provide a systematic investigation of SO(2) theory to machine learning interatomic potentials (MLIPs) and identify the limitations of conventional SO(2) Linear architectures relative to SO(3) Clebsch-Gordan Tensor Products (CGTP).
By Zemin Xu, Wenbo Xie, P. Hu
arXiv:2512. 16882v2 Announce Type: replace-cross Abstract: Machine learning interatomic potentials (MLIPs) have brought substantial gains in the extrapolation capability in computational chemistry.
By Zemin Xu, Chenyu Wu, Wenbo Xie, P. Hu
arXiv:2607. 01408v1 Announce Type: cross Abstract: $\mathrm{E}(3)$-equivariant networks are promising for 3D atomistic system modeling, yet their scalability is limited by the $O(L^6)$ complexity of the Clebsch-Gordan Tensor Product (CGTP).
By Chenxing Liang, Yuchao Lin, Andrii Kryvenko, Wendi Yu, Chuan Li, Jianwen Xie, Xiaofeng Qian, Shuiwang Ji
arXiv:2502. 09928v2 Announce Type: replace-cross Abstract: Originating in quantum physics, tensor networks (TNs) have been widely adopted as exponential machines and parametric decomposers for recognition tasks.
By Chang Nie
arXiv:2607. 18074v1 Announce Type: new Abstract: Equivariant graph neural networks repeatedly apply edge-conditioned tensor-product convolutions over graph edges.
By Vladimir Choro\v{s}ajev, C\'edric B\'eny
arXiv:2606. 00130v1 Announce Type: cross Abstract: We study Automatically Differentiable Nonlinear Tensor Networks (ADNTNs), a family of structured weight generators whose compact core tensors are trained end-to-end by reverse-mode automatic differentiation (AD).
By Andrzej Cichocki, Michal Wietczak
arXiv:2409. 17502v2 Announce Type: replace Abstract: Broadcast operations are widely used in scientific computing libraries, yet their mathematical formulation is often implicit and inconsistently represented in machine learning literature.
By Yusuke Matsui, Tatsuya Yokota
arXiv:2606. 00130v2 Announce Type: replace-cross Abstract: Large deep neural networks are costly to store and deploy because inference must move and evaluate many parameters.
By Andrzej Cichocki, Michal Wietczak
arXiv:2606. 10913v1 Announce Type: new Abstract: We explore whether intrinsic symmetries of the training data lead to conserved quantities during gradient-flow training of neural networks.
By Jakob Galley, Vahid Shahverdi, Axel Flinth
arXiv:2607. 27987v1 Announce Type: new Abstract: Tensor operations represent a cornerstone of modern scientific computing.
By Florian Fervers, Sebastian Bullinger, Christoph Bodensteiner, Michael Arens
arXiv:2510. 15814v2 Announce Type: replace-cross Abstract: Universality results for equivariant neural networks remain rare.
By Marco Pacini, Mircea Petrache, Bruno Lepri, Shubhendu Trivedi, Robin Walters