Related papers: Rethinking Crystal Symmetry Prediction: A Decouple…
Crystal symmetry plays a fundamental role in determining its physical, chemical, and electronic properties such as electrical and thermal conductivity, optical and polarization behavior, and mechanical strength. Almost all known crystalline…
Advanced materials often consist of multiple elements which are arranged in a complicated structure. Quantitative scanning transmission electron microscopy is useful to determine the composition and thickness of nanostructures at the atomic…
Owing to their tunability and versatility, the two-dimensional materials are an excellent platform to conduct a variety of experiments. However, laborious device fabrication procedures remain as a major experimental challenge. One…
Predicting crystal nucleation is among the most significant long--standing challenges in condensed matter. In the system most studied (hard sphere colloids), the comparison between experiments performed using static light scattering and…
This paper probes intrinsic factors behind typical failure cases (e.g. spatial inconsistency and boundary confusion) produced by the existing state-of-the-art method in face parsing. To tackle these problems, we propose a novel Decoupled…
In this paper, we present a distributed model predictive control (DMPC) scheme for dynamically decoupled systems which are subject to state constraints, coupling state constraints and input constraints. In the proposed control scheme,…
Point scene understanding is a challenging task to process real-world scene point cloud, which aims at segmenting each object, estimating its pose, and reconstructing its mesh simultaneously. Recent state-of-the-art method first segments…
Addressing irregular cutting and packing (C&P) optimization problems poses two distinct challenges: the geometric challenge of determining whether or not an item can be placed feasibly at a certain position, and the optimization challenge…
The in situ synchrotron high-energy X-ray powder diffraction (XRD) technique is highly utilized by researchers to analyze the crystallographic structures of materials in functional devices (e.g., battery materials) or in complex sample…
Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one…
Crystal material representation is the foundation of crystal material research. Existing works consider crystal molecules as graph data with different representation methods and leverage the advantages of techniques in graph learning. A…
Despite the extensive usage of oxide glasses for a few millennia, the composition-property relationships in these materials still remain poorly understood. While empirical and physics-based models have been used to predict properties, these…
Implicit degradation modeling-based blind super-resolution (SR) has attracted more increasing attention in the community due to its excellent generalization to complex degradation scenarios and wide application range. How to extract more…
An algorithm for determining crystal structures from diffraction data is described which does not rely on the usual Fourier-space formulations of atomicity. The new algorithm implements atomicity constraints in real-space, as well as…
Stable or metastable crystal structures of assembled atoms can be predicted by finding the global or local minima of the energy surface within a broad space of atomic configurations. Generally, this requires repeated first-principles energy…
Structured prediction is the cornerstone of several machine learning applications. Unfortunately, in structured prediction settings with expressive inter-variable interactions, exact inference-based learning algorithms, e.g. Structural SVM,…
Image decomposition plays a crucial role in various computer vision tasks, enabling the analysis and manipulation of visual content at a fundamental level. Overlapping images, which occur when multiple objects or scenes partially occlude…
This study addresses the challenge of accurately forecasting geometric deviations in manufactured components using advanced 3D surface analysis. Despite progress in modern manufacturing, maintaining dimensional precision remains difficult,…
Describing the deviation of a real structure from a hypothetical higher-symmetry ideal can be a powerful tool to understand and interpret phase transitions. Here we introduce a simple yet effective metric that quantifies the degree of unit…
X-ray Photoelectron Spectroscopy (XPS) is a crucial technique for material surface analysis, yet interpreting its spectra is often challenging for both human analysts and automated methods due to the prevalence of variable spectral shifts…