Related papers: NMRTrans: Structure Elucidation from Experimental …
Materials characterization remains a significant, time-consuming undertaking. Generally speaking, spectroscopic techniques are used in conjunction with empirical and ab-initio calculations in order to elucidate structure. These experimental…
We introduce Spectral NSR, a fully spectral neuro-symbolic reasoning framework that embeds logical rules as spectral templates and performs inference directly in the graph spectral domain. By leveraging graph signal processing (GSP) and…
Nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) are well-established techniques that provide valuable information in a diverse set of disciplines but are currently limited to macroscopic sample volumes. Here we…
Neutron reflectometry (NR) has emerged as a unique technique for the investigation of structure and magnetism of thin films of both biologically relevant and magnetic materials. The advantage of NR with respect to many other…
Characterizing ion adsorption and diffusion in porous carbons is essential to understand the performance of such materials in a range of key technologies such as energy storage and capacitive deionisation. Nuclear Magnetic Resonance (NMR)…
Nuclear magnetic resonance (NMR) spectroscopy exploits the magnetic properties of atomic nuclei to discover the structure, reaction state and chemical environment of molecules. We propose a probabilistic generative model and inference…
Metabonomics, the measure of the fingerprint of biochemical perturbations caused by disease, drugs or toxins, recently has become a major focus of research in various areas especially indications of drug toxicity. Two types of technology…
Nuclear Magnetic Resonance (NMR) spectroscopy is an important bio-engineering tool to determine the metabolic concentrations, molecule structures and so on. The data acquisition time, however, is very long in multi-dimensional NMR. To…
Much new solid state technology for single-photon sources, detectors, photovoltaics and quantum computation relies on the fabrication of strained semiconductor nanostructures. Successful development of these devices depends strongly on…
Neutrino oscillations encode fundamental information about neutrino masses and mixing parameters, offering a unique window into physics beyond the Standard Model. Estimating these parameters from oscillation probability maps is, however,…
Implicit Neural Representations (INRs) have emerged as a powerful paradigm for representing signals such as images, audio, and 3D scenes. However, existing INR frameworks -- including MLPs with Fourier features, SIREN, and multiresolution…
Magnetic order is a fundamental property of materials, governing collective behavior and enabling a broad range of functionalities. Yet magnetic structure remains difficult to determine: experiments are costly and specialized, while…
Raman spectroscopy is a widely-used non-destructive material characterization method, which provides information about the vibrational modes of the material and therefore of its atomic structure and chemical composition. Interpretation of…
Learning the manifold structure of remote sensing images is of paramount relevance for modeling and understanding processes, as well as to encapsulate the high dimensionality in a reduced set of informative features for subsequent…
Raman spectroscopy is widely used across scientific domains to characterize the chemical composition of samples in a non-destructive, label-free manner. Many applications entail the unmixing of signals from mixtures of molecular species to…
Tensor ring (TR) decomposition is a powerful tool for exploiting the low-rank nature of multiway data and has demonstrated great potential in a variety of important applications. In this paper, nonnegative tensor ring (NTR) decomposition…
Recent genome and transcriptome sequencing projects have unveiled a plethora of highly structured RNA molecules as central mediators of cellular function. Single molecule Forster Resonance Energy Transfer (smFRET) is a powerful tool for…
The NV-NMR spectrometer is a promising candidate for detection of NMR signals at the nano scale. Field inhomogeneities, however, are a major source of noise that limits spectral resolution in state of the art NV - NMR experiments and…
Raman spectroscopy is an important tool in the study of vibrational properties and composition of molecules, peptides and even proteins. Raman spectra can be simulated based on the change of the electronic polarizability with vibrations,…
The implementation of nuclear magnetic resonance (NMR) at the nanoscale is a major challenge, as conventional systems require relatively large ensembles of spins and limit resolution to mesoscopic scales. New approaches based on quantum…