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Ensembling can improve the performance of Neural Networks, but existing approaches struggle when the architecture likelihood surface has dispersed, narrow peaks. Furthermore, existing methods construct equally weighted ensembles, and this…
One-dimensional NMR spectroscopy is one of the most widely used techniques for the characterization of organic compounds and natural products. For molecules with up to 36 non-hydrogen atoms, the number of possible structures has been…
Core-level X-ray photoelectron spectroscopy (XPS) is a useful measurement technique for investigating the electronic states of a strongly correlated electron system. Usually, to extract physical information of a target object from a…
The physics basis for an electron-beam based Compton scattering (ECOS) x-ray source is investigated for single-shot experiments at major high energy density facilities such as the Omega Laser Facility, National Ignition Facility, and Z…
The structures, as building-blocks for designing functional nanomaterials, have fueled the development of versatile nanoprobes to understand local structures of noncrystalline specimens. Progresses in analyzing structures of individual…
The complexity of composite spectra of close binaries makes the study of the individual stellar spectra extremely difficult. For this reason there exists very little information on the chemical composition of high-mass stars in close…
Cryogenic electron microscopy is widely used in structural biology, but its resolution is often limited by the dynamics of the macromolecule. Here, we developed a refinement protocol based on Gaussian mixture models that integrates particle…
We investigate the recovery of structures from large-area, low dose exposures that distribute the dose over many identical copies of an object. The reconstruction is done via a maximum likelihood approach that does neither require to…
Condensed phase systems often exhibit a mixture of deterministic and stochastic dynamics at the nanoscale which are essential to understanding their function, but can be challenging to study directly using conventional imaging methods.…
Machine learning has emerged as a powerful tool in materials discovery, enabling the rapid design of novel materials with tailored properties for countless applications, including in the context of energy and sustainability. To ensure the…
The structure and dynamics of isolated nanosamples in free flight can be directly visualized via single-shot coherent diffractive imaging using the intense and short pulses of X-ray free-electron lasers. Wide-angle scattering images even…
A dense cloud of atoms with randomly changing positions exhibits coherent and incoherent scattering. We show that an atomic cloud of subwavelength dimensions can be modeled as a single scatterer where both coherent and incoherent components…
Magnetic nanoparticles offer unique potential for various technological, biomedical, or environmental applications thanks to the size-, shape- and material-dependent tunability of their magnetic properties. To optimize particles for a…
High-quality total scattering data, a key tool for understanding atomic-scale structure in disordered materials, require stable instrumentation and access to high momentum transfers. This is now routine at dedicated synchrotron…
Large liquid xenon detectors aiming for dark matter direct detection will soon become viable tools also for investigating neutrino physics. Information on the effects of nuclear structure in neutrino-nucleus scattering can be important in…
We study active structure learning of Bayesian networks in an observational setting, in which there are external limitations on the number of variable values that can be observed from the same sample. Random samples are drawn from the joint…
Deploying 3D single-photon Lidar imaging in real world applications faces multiple challenges including imaging in high noise environments. Several algorithms have been proposed to address these issues based on statistical or learning-based…
The average-atom model is applied to study Thomson scattering of x-rays from warm-dense matter with emphasis on scattering by bound electrons. Parameters needed to evaluate the dynamic structure function (chemical potential, average ionic…
Small-angle X-ray and neutron scattering are widely used to investigate soft matter and biophysical systems. The experimental errors are essential when assessing how well a hypothesized model fits the data. Likewise, they are important when…
Single particle cryo-electron microscopy has become a critical tool in structural biology over the last decade, able to achieve atomic scale resolution in three dimensional models from hundreds of thousands of (noisy) two-dimensional…