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). Building on these insights, we propose direct Cartesian construction and recursive Clebsch-Gordan construction of Wigner D-matrices and introduce two novel interaction building blocks. First, we propose the Edge Complex Product Basis based on Generalized Asymmetric Contraction, a new formulation for many-body expansion that directly constructs higher-order interactions on edges through complex-valued equivariant multiplications. Second, we introduce Radial Rotary Complex Attention(RRA), which enhances extrapolation performance and surpasses existing attention vector formulations. We also introduce several improvements to the Atomic Cluster Expansion module. Building on these advances, we train our models on OMat24, sAlex, and MPTrj, and introduce TECE-OAM-RRA-1.0, which achieve state-of-the-art (SOTA) performance on the Matbench Discovery.
A central design principle in modern machine learning and artificial intelligence is to align a model's inductive bias with the structure of its input data. For matrix-valued inputs, relevant matrix-level relationships can be characterised through spectral values and spectral sub…
Automating theoretical research is constrained not only by the generation of candidate results, but also by their reliable evaluation. A common approach is to close the research loop with a large language model (LLM) reviewer. However, such reviewers remain empirically unreliable…
Singular value soft-thresholding can be computed via a reduction to the matrix polar decomposition, which allows one to exploit GPU-friendly algorithms for computing the polar decomposition. Empirically, there is a significant speed-up on GPUs compared to the standard approach us…
In this paper, we propose a new solution for addressing the content cold-start problem in industry-scale search and recommender systems. Compared to prior approaches, we have made the following new contributions: 1) our solution spans the entire multi-stage funnel and generalizes…
Dysphagia is a debilitating late effect of head and neck cancer (HNC) treatment, yet timely identification of at-risk patients remains challenging in survivorship care. Definitive assessment relies on videofluoroscopic imaging, as captured by the Dynamic Imaging Grade of Swallowi…
Electroencephalography (EEG) is widely used to diagnose neurological conditions, but its analysis usually relies on either predefined spectral features or deep neural networks. Predefined features carry a strong bias, since they fix in advance what counts as informative, while de…