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Measuring the Hamiltonian of dipolar coupled spin systems is usually a difficult task due to the high complexity of their spectra. Currently, molecules with unknown geometrical structure and low symmetry are extremely tedious or impossible…
Extreme sensor sparsity makes full-field reconstruction a fundamentally ill-posed problem in scientific sensing,where the goal is to infer physical fields from sparse measurements.In this regime,the posterior is severely underconstrained…
In materials science and particularly electron microscopy, Electron Back-scatter Diffraction (EBSD) is a common and powerful mapping technique for collecting local crystallographic data at the sub-micron scale. The quality of the…
In an era of unprecedented deluge of (mostly unstructured) data, graphs are proving more and more useful, across the sciences, as a flexible abstraction to capture complex relationships between complex objects. One of the main challenges…
Fractal geometry, defined by self-similar patterns across scales, is crucial for understanding natural structures. This work addresses the fractal inverse problem, which involves extracting fractal codes from images to explain these…
Parallel coordinates plot (PCP) is an excellent tool for multivariate visualization and analysis, but it may fail to reveal inherent structures for datasets with a large number of items. In this paper, we propose a suite of novel…
The development of new materials typically involves a process of trial and error, guided by insights from past experimental and theoretical findings. The inverse design approach for soft-matter systems has the potential to optimize specific…
Four-dimensional scanning transmission electron microscopy (4D-STEM) provides rich, atomic-scale insights into materials structures. However, extracting specific physical properties - such as polarization directions essential for…
Multi-technique high resolution X-ray mapping enhanced by the recent advent of 4th generation synchrotron facilities can produce colossal datasets, challenging traditional analysis methods. Such difficulty is clearly materialized when…
Polaron defects are ubiquitous in materials and play an important role in many processes involving carrier mobility, charge transfer and surface reactivity. Determining the spatial distribution of small polarons is essential to understand…
Density functional theory (DFT) has become a standard tool for the study of point defects in materials. However, finding the most stable defective structures remains a very challenging task as it involves the solution of a multimodal…
With continuous progression of Moore's Law, integrated circuit (IC) device complexity is also increasing. Scanning Electron Microscope (SEM) image based extensive defect inspection and accurate metrology extraction are two main challenges…
Crystal property prediction, governed by quantum mechanical principles, is computationally prohibitive to solve exactly for large many-body systems using traditional density functional theory. While machine learning models have emerged as…
Deep learning-based reconstruction of positron emission tomography(PET) data has gained increasing attention in recent years. While these methods achieve fast reconstruction,concerns remain regarding quantitative accuracy and the presence…
X-ray photon correlation spectroscopy (XPCS) allows for the resolution of dynamic processes within a material across a wide range of length and time scales. X-ray speckle visibility spectroscopy (XSVS) is a related method that uses a single…
A major challenge in materials science is the determination of the structure of nanometer sized objects. Here we present a novel approach that uses a generative machine learning model based on diffusion processes that is trained on 45,229…
Physical systems are frequently modeled as sets of points in space, each representing the position of an atom, molecule, or mesoscale particle. As many properties of such systems depend on the underlying ordering of their constituent…
By suitably generalizing the Fourier constraint projection in the difference map phasing algorithm, an object can be reconstructed from its diffraction pattern even when the latter has been incoherently averaged over a discrete group of…
Disordered solids, straddling the solid-fluid boundary, lack a comprehensive continuum mechanical description. They exhibit a complex microstructure wherein multiple meta-stable states exist. Deforming disordered solids induces particles…
While crack nucleation and propagation in the brittle or quasi-brittle regime can be predicted via variational or material-force-based phase field fracture models, these models often assume that the underlying elastic response of the…