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Many questions in computational social science rely on datasets assembled from heterogeneous online sources, a process that is often labor-intensive, costly, and difficult to reproduce. Recent advances in large language models enable…
Driven by the unprecedented computational power available to scientific research, the use of computers in solid-state physics, chemistry and materials science has been on a continuous rise. This review focuses on the software used for the…
Large Language Models (LLMs) have recently advanced the field of Automated Theorem Proving (ATP), attaining substantial performance gains through widely adopted test-time scaling strategies, notably reflective Chain-of-Thought (CoT)…
We have built an integrated computational platform for material properties at extreme conditions, ProME (Professional Materials at Extremes) v1.0, which enables integrated calculations for multicomponent alloys, covering high temperatures…
We summarize recent results and ongoing activities in mathematical algorithms and computer science methods related to proton computed tomography (pCT) and intensity-modulated particle therapy (IMPT) treatment planning. Proton therapy…
Industrial multi-label document understanding pipelines score candidate labels and threshold or rank them to form a label set per document. This early selection step directly affects the accuracy of downstream information extraction from…
Atomic Force Microscopy (AFM) allows to reconstruct the topography of surface with a resolution in the nanometer range. The exceptional resolution attainable with the AFM makes this instrument a key tool in nanoscience and technology. The…
This paper discusses the design and implementation of a Python-based toolset to aid in assessing the response of the UK's Advanced Gas Reactor nuclear power stations to earthquakes. The seismic analyses themselves are carried out with a…
In this paper we discuss the theory used in the design of an open source lightmorphic signatures analysis toolkit (LSAT). In addition to providing a core functionality, the software package enables specific optimizations with its modular…
We describe a software package, TomOpt, developed to optimise the geometrical layout and specifications of detectors designed for tomography by scattering of cosmic-ray muons. The software exploits differentiable programming for the…
Engineers in the manufacturing industries have used accelerated test (AT) experiments for many decades. The purpose of AT experiments is to acquire reliability information quickly. Test units of a material, component, subsystem or entire…
Quantum Process Tomography (QPT) methods aim at identifying, i.e. estimating, a quantum process. QPT is a major quantum information processing tool, since it especially allows one to experimentally characterize the actual behavior of…
The substantial increase in data volume and complexity expected from future experiments will require significant investment to prepare experimental algorithms. These algorithms include physics object reconstruction, calibrations, and…
Accelerated destructive degradation tests (ADDT) are widely used in industry to evaluate materials' long term properties. Even though there has been tremendous statistical research in nonparametric methods, the current industrial practice…
Atomic ensembles, comprising clouds of atoms addressed by laser fields, provide an attractive system for both the storage of quantum information, and the coherent conversion of quantum information between atomic and optical degrees of…
Accurate computational ptychographic phase reconstructions are enabled by fast direct-electron cameras with high dynamic ranges used for four-dimensional scanning transmission electron microscopy (4D-STEM). The availability of open software…
Ferroelectric oxide superlattices with complex topological structures such as vortices, skyrmions, and flux closure domains have garnered significant attention due to their fascinating properties and potential applications. However,…
Delineation of tumors and organs-at-risk permits detecting and correcting changes in the patients' anatomy throughout the treatment, making it a core step of adaptive proton therapy (APT). Although AI-based auto-contouring technologies have…
The advent of the Transformer architecture has propelled the growth of natural language processing (NLP) models, leading to remarkable achievements in numerous NLP tasks. Yet, the absence of specialized hardware like expansive GPU memory…
Currently, data-intensive scientific applications require vast amounts of compute resources to deliver world-leading science. The climate emergency has made it clear that unlimited use of resources (e.g., energy) for scientific discovery is…