Related papers: Regional Embedding Enables High-Level Quantum Chem…
The classification of big data usually requires a mapping onto new data clusters which can then be processed by machine learning algorithms by means of more efficient and feasible linear separators. Recently, Lloyd et al. have advanced the…
Highly accurate methods such as coupled cluster (CC) techniques can be used for periodic systems within the framework of the method of increments. Its extension to low-dimensional conducting system is considered. To demonstrate the…
We present a general embedding theory of electronic excitations of a relatively small, localized system in contact with an extended, chemically complex environment. We demonstrate how to include the screening response of the environment…
Compressed Sensing Magnetic Resonance Imaging (CS-MRI) significantly accelerates MR data acquisition at a sampling rate much lower than the Nyquist criterion. A major challenge for CS-MRI lies in solving the severely ill-posed inverse…
Wavefront shaping (WFS) schemes for efficient energy deposition in weakly lossy targets is an ongoing challenge for many classical wave technologies relevant to next-generation telecommunications, long-range wireless power transfer, and…
We comment on article by Yi Zhang , Hanna Terletska, Ka-Ming Tam, Yang Wang, Markus Eisenbach, Liviu Chioncel, and Mark Jarrell [Phys. Rev. B {\bf 100}, 054205 (2019)]\cite{Zhang} in which to study substitution disordered systems, they…
Most real-world 3D measurements from depth sensors are incomplete, and to address this issue the point cloud completion task aims to predict the complete shapes of objects from partial observations. Previous works often adapt an…
We present a comprehensive benchmark study of the adsorption energy of a single water molecule on the (001) LiH surface using periodic coupled cluster and quantum Monte Carlo theories. We benchmark and compare different implementations of…
Ballistic injection in a nanodevice is a complex process where electrons can either be transmitted or reflected, thereby introducing deviations from the otherwise quantized conductance. In this context, quantum rings (QRs) appear as model…
Scattering networks are a class of designed Convolutional Neural Networks (CNNs) with fixed weights. We argue they can serve as generic representations for modelling images. In particular, by working in scattering space, we achieve…
The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty in drawing physical conclusions from a wavefunction is often…
This paper presents a new regularization method to train a fully convolutional network for semantic tissue segmentation in histopathological images. This method relies on the benefit of unsupervised learning, in the form of image…
Small molecules in biological samples are studied to provide information about disease states, environmental toxins, natural product drug discovery, and many other applications. The primary window into the composition of small molecule…
We present an embedding approach for semiconductors and insulators based on or- bital rotations in the space of occupied Kohn-Sham orbitals. We have implemented our approach in the popular VASP software package. We demonstrate its power for…
Corneal endothelial cell segmentation plays a vital role inquantifying clinical indicators such as cell density, coefficient of variation,and hexagonality. However, the corneal endothelium's uneven reflectionand the subject's tremor and…
Clustering artworks is difficult for several reasons. On the one hand, recognizing meaningful patterns in accordance with domain knowledge and visual perception is extremely difficult. On the other hand, applying traditional clustering and…
The relations between a quantum wave impedance function and elements of transfer and scattering matrixes for quantum mechanical systems with arbitrary localized form of potential were established. Obtained results allows using the…
An extended interference pattern close to surface may result in both a transmissive or evanescent surface fields for large area manipulation of trapped particles. The affinity of differing particle sizes to a moving standing wave light…
Thin films are preferred for high photocurrent conversion efficiency, but strong photon absorption at photon energies below the bandgap (near and shortwave infrared) typically requires thicker semiconductor layers. To address this tradeoff,…
Embedding models are central to dense retrieval, semantic search, and recommendation systems, but their size often makes them impractical to deploy in resource-constrained environments such as browsers or edge devices. While smaller…