Related papers: $\texttt{Spglib}$: a software library for crystal …
Distributed algorithms for solving coupled semidefinite programs (SDPs) commonly require many iterations to converge. They also put high computational demand on the computational agents. In this paper we show that in case the coupled…
We present a novel approach for finding and evaluating structural models of small metallic nanoparticles. Rather than fitting a single model with many degrees of freedom, the approach algorithmically builds libraries of nanoparticle…
A quantum algorithm for general combinatorial search that uses the underlying structure of the search space to increase the probability of finding a solution is presented. This algorithm shows how coherent quantum systems can be matched to…
Reliable and robust methods of predicting the crystal structure of a compound, based only on its chemical composition, is crucial to the study of materials and their applications. Despite considerable ongoing research efforts, crystal…
Say that we are given samples from a distribution $\psi$ over an $n$-dimensional space. We expect or desire $\psi$ to behave like a product distribution (or a $k$-wise independent distribution over its marginals for small $k$). We propose…
The presence of uncertainty in material properties and geometry of a structure is ubiquitous. The design of robust engineering structures, therefore, needs to incorporate uncertainty in the optimization process. Stochastic gradient descent…
Clustering is spotting pattern in a group of objects and resultantly grouping the similar objects together. Objects have attributes which are not always numerical, sometimes attributes have domain or categories to which they could belong…
In this article, we propose an accuracy-assuring technique for finding a solution for unsymmetric linear systems. Such problems are related to different areas such as image processing, computer vision, and computational fluid dynamics.…
The increased computational and experimental interest in perovskite systems comprising novel phases and reduced dimensionality has greatly expanded the search space for this class of materials. In similar fields, unified frameworks exist…
The level of maturity reached by robust control theory techniques nowadays contributes to a considerable minimization of the development time of an end-to-end control design of a spacecraft system. The advantage offered by this framework is…
It is a high-quality algorithm for hierarchical clustering of large software source code. This effectively allows to break the complexity of tens of millions lines of source code, so that a human software engineer can comprehend a software…
Phase-change materials (PCMs) such as Ge-Sb-Te alloys are widely used in non-volatile memory applications due to their rapid and reversible switching between amorphous and crystalline states. However, their functional properties are…
We present OpenGlue: a free open-source framework for image matching, that uses a Graph Neural Network-based matcher inspired by SuperGlue \cite{sarlin20superglue}. We show that including additional geometrical information, such as local…
Machine learning techniques offer a precious tool box for use within astronomy to solve problems involving so-called big data. They provide a means to make accurate predictions about a particular system without prior knowledge of the…
This paper deals with exploiting symmetry for solving linear and integer programming problems. Basic properties of linear representations of finite groups can be used to reduce symmetric linear programming to solving linear programs of…
Tremendous advances in parallel computing and graphics hardware opened up several novel real-time GPU applications in the fields of computer vision, computer graphics as well as augmented reality (AR) and virtual reality (VR). Although…
The geometric design of structures with optimized physical and chemical properties is one of the core topics in materials science. However, designing new functional materials is challenging due to the vast number of existing and the…
Generating novel crystalline materials has the potential to lead to advancements in fields such as electronics, energy storage, and catalysis. The defining characteristic of crystals is their symmetry, which plays a central role in…
We present a fast algorithm for global rigid symmetry detection with approximation guarantees. The algorithm is guaranteed to find the best approximate symmetry of a given shape, to within a user-specified threshold, with very high…
The diffraction technique is widely used in the determination of crystal structures and is one of the bases for the modern science and technology. All related structure determination methods are based on the assumption that perfect single…