medical imaging device teams

Abstract: Predicting molecular magnetism often requires electronic-structure calculations with spin-orbit coupling (SOC), which are costly to repeat across many molecules. The underlying electronic states can transform as spinors, yet equivariant surrogates typically use only integer-rank features. Inspired by the spinor nature of these electronic states, we develop eSpinor, an SU(2)-equivariant graph neural network that propagates spinor features. We initialize spinor features from eigenvectors of an approximate SOC Hamiltonian and use gauge-covariant message passing with a gauge-invariant readout to make predictions independent of the arbitrary eigenbasis choice. On cobalt single-molecule magnet candidates, eSpinor improves zero-field-splitting predictions relative to NequIP, including for unseen ligands. For a dysprosium magnetic resonance imaging probe, eSpinor improves real electron-spin correlations over a Hamiltonian-informed baseline despite similar static crystal-field errors and fewer parameters, while accurately predicting low-field nuclear relaxation in water and after transfer to methanol without retraining. Overall, these results demonstrate that SU(2)-equivariant spinor message passing is a useful inductive bias for molecular magnetism. We also find that similar static tensor errors can yield different dynamical errors, motivating model selection based on accuracy for the intended physical observables.

Abstract: Computational compressive imaging, such as single-pixel imaging and lensless imaging, is a promising imaging technique, enabling the reconstruction of objects from under-sampled measurements through compressed sensing algorithms or deep learning methods. However, the demand for electronic computational resources grows rapidly when recovering high-resolution and multi-dimensional images and training neural networks with numerous parameters, which has become a bottleneck for the widespread adoption of this technique. Here, we propose a physics-driven reconstruction framework that formulates imaging inverse problems as Ising models and directly recovers target objects through the self-evolution of non-von Neumann Ising machines toward the ground state of the Hamiltonian. We employ a simulated-annealing-based Ising solver to demonstrate this proof-of-concept by reconstructing objects in both single-pixel imaging and a lensless diffuser camera at sampling rates ranging from 1% to 25%. By further incorporating a foreground-sparsity constraint and a smoothness constraint, the reconstruction quality of our method is comparable to or even better than that of mainstream algorithms. This approach has the potential to substantially reduce the electronic computational burden of inverse reconstruction, paving the way for real-time, low-power computational imaging.