Related papers: XrdML, a new way to store (and exchange) X-ray pow…
Wireless channels can be inherently privacy-preserving by distorting the received signals due to channel noise, and superpositioning multiple signals over-the-air. By harnessing these natural distortions and superpositions by wireless…
Extensible markup language (XML) is a technology that has been much hyped, so that XML has become an industry buzzword. Behind the hype is a powerful technology for data representation in a platform independent manner. As a text document,…
In the rapidly advancing field of materials informatics, nonlinear machine learning models have demonstrated exceptional predictive capabilities for material properties. However, their black-box nature limits interpretability, and they may…
Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…
The discovery of new structural and functional materials is driven by phase identification, often using X-ray diffraction (XRD). Automation has accelerated the rate of XRD measurements, greatly outpacing XRD analysis techniques that remain…
Denoising Diffusion Probabilistic Models (DDPM) are powerful state-of-the-art methods used to generate synthetic data from high-dimensional data distributions and are widely used for image, audio, and video generation as well as many more…
We introduce a machine-learning (ML) framework for high-throughput benchmarking of diverse representations of chemical systems against datasets of materials and molecules. The guiding principle underlying the benchmarking approach is to…
X-ray diffraction (XRD) data acquisition and analysis is among the most time-consuming steps in the development cycle of novel thin-film materials. We propose a machine-learning-enabled approach to predict crystallographic dimensionality…
AMORPH utilizes a new Bayesian statistical approach to interpreting X-ray diffraction results of samples with both crystalline and amorphous components. AMORPH fits X-ray diffraction patterns with a mixture of narrow and wide components,…
X-ray diffraction with high spatial resolution is a prerequisite for the characterization of (poly)-crystalline materials on micro- or nanoscopic scales. This can be achieved by utilizing a focused X-ray beam and scanning of the sample.…
The current fleet of X-ray telescopes produces a wealth of multi-dimensional data, allowing us to study sources in time, photon energy and polarization. At the same time, it has become increasingly clear that progress in our physical…
Recently, denoising diffusion probabilistic models (DDPM) have been applied to image segmentation by generating segmentation masks conditioned on images, while the applications were mainly limited to 2D networks without exploiting potential…
Accurate estimation of the distance between the transmitter (TX) and the receiver (RX) in molecular communication (MC) systems can provide faster and more reliable communication. Existing theoretical models in the literature are not…
Characterizing electrochemical energy conversion devices during operation is an important strategy for correlating device performance with the properties of cell materials under real operating conditions. While operando characterization has…
The DXRD program suite consisting of a series of dynamical-theory programs is introduced for computing dynamical X-ray diffraction from single crystals. Its interactive graphic user interfaces (GUIs) allow general users to make complicated…
X-ray diffraction microscopy (XDM) is a new form of x-ray imaging that is being practiced at several third-generation synchrotron-radiation x-ray facilities. Although only five years have elapsed since the technique was first introduced, it…
We demonstrate that powder diffraction data can be collected from sub-micron crystals of a mbrane protein with nearly two orders of magnitude more atoms than the molecules commonly used for powder diffraction. The crystals of photosystem-1…
We describe the InfraRed Data Reduction (IRDR) software package, a small ANSI C library of fast image processing routines for automated pipeline reduction of infrared (dithered) observations. We developed the software to satisfy certain…
In the last ten years, various automated machine learning (AutoM ) systems have been proposed to build end-to-end machine learning (ML) pipelines with minimal human interaction. Even though such automatically synthesized ML pipelines are…
Spectropolarimetry, the observation of polarization and intensity as a function of wavelength, is a powerful tool in stellar astrophysics. It is particularly useful for characterizing stars and circumstellar material, and for tracing the…