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We investigate a novel approach for image restoration by reinforcement learning. Unlike existing studies that mostly train a single large network for a specialized task, we prepare a toolbox consisting of small-scale convolutional networks…
We develop and test new machine learning strategies for accelerating molecular crystal structure ranking and crystal property prediction using tools from geometric deep learning on molecular graphs. Leveraging developments in graph-based…
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…
Automation underpins progress across scientific and industrial disciplines. Yet, automating tasks requiring interpretation of abstract visual information remain challenging. For example, crystal alignment strongly relies on humans with the…
Machine learning algorithms have been available since the 1990s, but it is much more recently that they have come into use also in the physical sciences. While these algorithms have already proven to be useful in uncovering new properties…
Discovering functional crystalline materials through computational methods remains a formidable challenge in materials science. Here, we introduce VQCrystal, an innovative deep learning framework that leverages discrete latent…
The challenge in fine-grained visual categorization lies in how to explore the subtle differences between different subclasses and achieve accurate discrimination. Previous research has relied on large-scale annotated data and pre-trained…
As a core step in structure-from-motion and SLAM, robust feature detection and description under challenging scenarios such as significant viewpoint changes remain unresolved despite their ubiquity. While recent works have identified the…
Computational methods that automatically extract knowledge from data are critical for enabling data-driven materials science. A reliable identification of lattice symmetry is a crucial first step for materials characterization and…
The Materials Project crystal structure database has been searched for materials possessing layered motifs in their crystal structures using a topology-scaling algorithm. The algorithm identifies and measures the sizes of bonded atomic…
Accurately determining the crystallographic structure of a material, organic or inorganic, is a critical primary step in material development and analysis. The most common practices involve analysis of diffraction patterns produced in…
We address a core problem of computer vision: Detection and description of 2D feature points for image matching. For a long time, hand-crafted designs, like the seminal SIFT algorithm, were unsurpassed in accuracy and efficiency. Recently,…
Deep reinforcement learning enables algorithms to learn complex behavior, deal with continuous action spaces and find good strategies in environments with high dimensional state spaces. With deep reinforcement learning being an active area…
High performance sheet metals with a multi-phase microstructure suffer from deformation induced damage formation during forming in the constituent phases but importantly also where these intersect. To capture damage in terms of the physical…
Powder X-ray diffraction analysis is a critical component of materials characterization methodologies. Discerning characteristic Bragg intensity peaks and assigning them to known crystalline phases is the first qualitative step of…
Solving crystal structures from kinematical X-ray or electron diffraction patterns of single crystals requires many more diffracted beams to be recorded than there are atoms in the structure, since the phases of the structure factors can…
As space becomes more congested, on orbit inspection is an increasingly relevant activity whether to observe a defunct satellite for planning repairs or to de-orbit it. However, the task of on orbit inspection itself is challenging,…
In recent years, deep learning has been at the center of analytics due to its impressive empirical success in analyzing complex data objects. Despite this success, most of the existing tools behave like black-box machines, thus the…
The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…
Dislocations control the mechanical behavior of crystalline materials, yet their quantitative characterization in bulk has remained elusive. Transmission Electron Microscopy provides atomic-scale resolution but is restricted to thin foils,…