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Finite-state models, such as finite-state machines (FSMs), aid software engineering in many ways. They are often used in formal verification and also can serve as visual software models. The latter application is associated with the…

This paper describes a new process and software system, the Case Count Metric System (CCMS), for systematically comparing and analyzing the outcomes of two different ER clustering processes acting on the same dataset when the true linking…

StructOpt, an open-source structure optimization suite, applies genetic algorithm and particle swarm methods to obtain atomic structures that minimize an objective function. The objective function typically consists of the energy and the…

The realistic modeling of STT-MRAM for the simulations of hybrid CMOS/Spintronics devices in comprehensive simulation environments require a full description of stochastic switching processes in state of the art STT-MRAM. Here, we derive an…

Tree matching techniques have been investigated in many fields, including web data mining and extraction, as a key component to analyze the content of web documents, existing tree matching approaches, like Tree-Edit Distance (TED) or…

Designing implants for large and complex cranial defects is a challenging task, even for professional designers. Current efforts on automating the design process focused mainly on convolutional neural networks (CNN), which have produced…

Group synchronization plays a crucial role in global pipelines for Structure from Motion (SfM). Its formulation is nonconvex and it is faced with highly corrupted measurements. Cycle consistency has been effective in addressing these…

The search for symmetry as an unusual yet profoundly appealing phenomenon, and the origin of regular, repeating configuration patterns have long been a central focus of complexity science and physics. To better grasp and understand symmetry…

A new class of matching condition between the atomistic and continuum regions is presented for the multi-scale modeling of crystals. They ensure the accurate passage of large scale information between the atomistic and continuum regions and…

Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…

Mechanical metamaterials utilize geometry to achieve exceptional mechanical properties, including those not typically possible for traditional materials. To achieve these properties, it is necessary to identify the proper structures and…

In computer vision and medical imaging, the problem of matching structures finds numerous applications from automatic annotation to data reconstruction. The data however, while corresponding to the same anatomy, are often very different in…

Improving the detailed understanding of the underlying properties and functions of biomolecules has recently attracted growing interest, enabled by the possibility of real-space imaging of single, intact macromolecules using Scanning…

We introduce an algorithm that can be used to perform stochastic perturbation theory (sPT) to correct any non-linearly parametrized wavefunction that can be optimized using orbital space Variational Monte Carlo (VMC). Although the…

Crystal structure prediction is a long-standing challenge in materials science, with most data-driven methods developed for inorganic systems. This leaves an important gap for organic crystals, which are central to pharmaceuticals,…

Knowledge of a protein's atomic conformational ensemble is critical to determining its function, yet state-of-the-art ensemble prediction models are limited by lack of high-quality conformational data from simulation or experiment. Recent…

Over the last two decades, scanning tunnelling microscopy (STM) has become one of the most important ways to investigate the structure of crystal surfaces. STM has helped achieve remarkable successes in surface science such as finding the…

Molecular structure elucidation is a fundamental step in understanding chemical phenomena, with applications in identifying molecules in natural products, lab syntheses, forensic samples, and the interstellar medium. We consider the task of…

This article presents an automated method to quantify and detect symmetry elements in 2D patterns by means of image processing. Escher's woodcuts, a widely recognized didactic tool for crystallographic education of students, were used to…

Streaming graphs are drawing increasing attention in both academic and industrial communities as many graphs in real applications evolve over time. Continuous subgraph matching (shorted as CSM) aims to report the incremental matches of a…