搜索结果：Leeds

Low-energy electron diffraction (LEED) is a cornerstone technique for determining surface atomic structures[heldStructureDeterminationLowenergy2025], yet the quantitative analysis of electron diffraction intensity as a function of incident electron energy -- that is, LEED-\textit{I(V)} analysis -- remains a complex inverse problem. In this work, we tackle quantitative LEED-\textit{I(V)} analysis based on physics-informed Bayesian optimization (BO). By embedding multiple scattering LEED forward models directly into a trust-region BO loop, our approach simultaneously optimizes both structural and experimental parameters, adaptively adjusting trust regions for efficient exploration of complex non-convex parameter spaces without manual intervention. The robustness and scalability of the approach are demonstrated using the Ag(100)-(1$\time$1) and Fe\textsubscript{2}O\textsubscript{3}(1$\overline{1}$02)-(1$\time$1) surfaces as examples. Our work establishes a general framework for solving inverse problems in various characterization techniques, unlocking a physics-informed efficient, reproducible, and autonomous paradigm.

LEED v4.1 BD+C certification remains a document-intensive process that requires reviewers to read hundreds of pages of project evidence and apply credit-specific threshold logic by hand. This paper investigates whether small, locally deployed language models can perform meaningful screening of LEED documentation and how deterministic symbolic components should share that work. A neuro-symbolic pipeline is introduced that aligns project PDFs to LEED credit sections, retrieves evidence with credit-aware keyword signatures, verifies compliance with a locally hosted 4-billion-parameter language model, and applies a LEED-specific numeric checker to quantitative thresholds. Experiments on four university buildings (484 PDFs, 153 credit-level decisions) show that a 4-billion-parameter model (gemma3:4b) is the strongest text-only core verifier, achieving 67.3% accuracy and outperforming a larger 8-billion-parameter model (llama3.1:8b) in this task. The deterministic numeric checker corrects arithmetic errors on key quantitative credits, moving EA-p2 from 50% to 100% accuracy and improving several other credits when required values are reliably extracted. At the same time, the full neuro-sy

We present JWST/MIRI imaging of eight nearby Active Galactic Nuclei (AGN) from the GATOS survey to investigate the physical conditions of extended dust in their narrow line regions (NLRs). In four galaxies (ESO 428-G14, NGC 4388, NGC 3081, and NGC 5728), we detect spatially resolved dust structures extending ~100-200 pc along the NLR. In these systems, we find a strong link between the morphology of the dust, the radio ejecta, and the coronal [Si VI] emission, implying that dust carries imprints of the processes shaping the NLR. Using spatially resolved spectral energy distributions, we show that dust in the NLR has systematically steeper slopes than star forming clumps. This dust emits at temperatures in the range 150 - 220 K, at a distance of ~150 pc from the nucleus. Using simple models, we show that, even under optimistic assumptions of grain size and AGN luminosity, the excess MIR emission cannot be explained by AGN illumination alone. We interpret this excess heating as in-situ. We show that shocks with velocities of $v_{\rm shock} \sim 200- 400 \, \rm km/s$ in dense gas can close this gap, and in some cases even account for the total observed emission. This, combined with mu

Multimodal machine learning integrating histopathology and molecular data shows promise for cancer prognostication. We systematically reviewed studies combining whole slide images (WSIs) and high-throughput omics to predict overall survival. Searches of EMBASE, PubMed, and Cochrane CENTRAL (12/08/2024), plus citation screening, identified eligible studies. Data extraction used CHARMS; bias was assessed with PROBAST+AI; synthesis followed SWiM and PRISMA 2020. Protocol: PROSPERO (CRD42024594745). Forty-eight studies (all since 2017) across 19 cancer types met criteria; all used The Cancer Genome Atlas. Approaches included regularised Cox regression (n=4), classical ML (n=13), and deep learning (n=31). Reported c-indices ranged 0.550-0.857; multimodal models typically outperformed unimodal ones. However, all studies showed unclear/high bias, limited external validation, and little focus on clinical utility. Multimodal WSI-omics survival prediction is a fast-growing field with promising results but needs improved methodological rigor, broader datasets, and clinical evaluation. Funded by NPIC, Leeds Teaching Hospitals NHS Trust, UK (Project 104687), supported by UKRI Industrial Strateg

The presence of occlusions has provided substantial challenges to typically-powerful object recognition algorithms. Additional sources of information can be extremely valuable to reduce errors caused by occlusions. Scene context is known to aid in object recognition in biological vision. In this work, we attempt to add robustness into existing Region Proposal Network-Deep Convolutional Neural Network (RPN-DCNN) object detection networks through two distinct scene-based information fusion techniques. We present one algorithm under each methodology: the first operates prior to prediction, selecting a custom object network to use based on the identified background scene, and the second operates after detection, fusing scene knowledge into initial object scores output by the RPN. We demonstrate our algorithms on challenging datasets featuring partial occlusions, which show overall improvement in both recall and precision against baseline methods. In addition, our experiments contrast multiple training methodologies for occlusion handling, finding that training on a combination of both occluded and unoccluded images demonstrates an improvement over the others. Our method is interpretabl

Multi-agent reinforcement learning (MARL) holds substantial promise for intelligent decision-making in complex environments. However, it suffers from a coordination and scalability bottleneck as the number of agents increases. To address these issues, we propose the LLM-empowered expert demonstrations framework for multi-agent reinforcement learning (LEED). LEED consists of two components: a demonstration generation (DG) module and a policy optimization (PO) module. Specifically, the DG module leverages large language models to generate instructions for interacting with the environment, thereby producing high-quality demonstrations. The PO module adopts a decentralized training paradigm, where each agent utilizes the generated demonstrations to construct an expert policy loss, which is then integrated with its own policy loss. This enables each agent to effectively personalize and optimize its local policy based on both expert knowledge and individual experience. Experimental results show that LEED achieves superior sample efficiency, time efficiency, and robust scalability compared to state-of-the-art baselines.

Quantitative low-energy electron diffraction [LEED $I(V)$] is a powerful method for surface-structure determination, based on a direct comparison of experimentally observed $I(V)$ data with computations for a structure model. As the diffraction intensities $I$ are highly sensitive to subtle structural changes, local structure optimization is essential for assessing the validity of a structure model and finding the best-fit structure. The calculation of diffraction intensities is well established, but the large number of evaluations required for reliable structural optimization renders it computationally demanding. The computational effort is mitigated by the tensor-LEED approximation, which accelerates optimization by applying a perturbative treatment of small deviations from a reference structure. Nevertheless, optimization of complex structures is a tedious process. Here, the problem of surface-structure optimization is reformulated using a tree-based data structure, which helps to avoid redundant function evaluations. In the new tensor-LEED implementation presented in this work, intensities are computed on the fly, eliminating limitations of previous algorithms that are limited

Quantum machine learning (QML) holds the promise to solve classically intractable problems, but, as critical data can be fragmented across private clients, there is a need for distributed QML in a quantum federated learning (QFL) format. However, the quantum computers that different clients have access to can be error-prone and have heterogeneous error properties, requiring them to run circuits of different depths. We propose a novel solution to this QFL problem, Quorus, that utilizes a layerwise loss function for effective training of varying-depth quantum models, which allows clients to choose models for high-fidelity output based on their individual capacity. Quorus also presents various model designs based on client needs that optimize for shot budget, qubit count, midcircuit measurement, and optimization space. Our simulation and real-hardware results show the promise of Quorus: it increases the magnitude of gradients of higher depth clients and improves testing accuracy by 12.4% on average over the state-of-the-art.

Quantum computing, which has the power to accelerate many computing applications, is currently a technology under development. As a result, the existing noisy intermediate-scale quantum (NISQ) computers suffer from different hardware noise effects, which cause errors in the output of quantum programs. These errors cause a high degree of variability in the performance (i.e., output fidelity) of quantum programs, which varies from one computer to another and from one day to another. Consequently, users are unable to get consistent results even when running the same program multiple times. Current solutions, while focusing on reducing the errors faced by quantum programs, do not address the variability challenge. To address this challenge, we propose Anchor, a first-of-its-kind technique that leverages linear programming to reduce the performance variability by 73% on average over the state-of-the-art implementation focused on error reduction.

The Leadership in Energy and Environmental Design (LEED) certification process is characterized by labor-intensive requirements for data handling, simulation, and documentation. This paper presents an automated platform designed to streamline key aspects of LEED certification. The platform integrates a PySide6-based user interface, a review Manager for process orchestration, and multiple analysis engines for credit compliance, energy modeling via EnergyPlus, and location-based evaluation. Key components include an OpenCV-based preprocessing pipeline for document analysis and a report generation module powered by the Gemma3 large language model with a retrieval-augmented generation framework. Implementation techniques - including computer vision for document analysis, structured LLM prompt design, and RAG-based report generation - are detailed. Initial results from pilot project deployment show improvements in efficiency and accuracy compared to traditional manual workflows, achieving 82% automation coverage and up to 70% reduction in documentation time. The platform demonstrates practical scalability for green building certification automation.

Space debris and inactive satellites pose a threat to the safety and integrity of operational spacecraft and motivate the need for space situational awareness techniques. These uncooperative targets create a challenging tracking and detection problem due to a lack of prior knowledge of their features, trajectories, or even existence. Recent advancements in computer vision models can be used to improve upon existing methods for tracking such uncooperative targets to make them more robust and reliable to the wide-ranging nature of the target. This paper introduces an autonomous detection model designed to identify and monitor these objects using learning and computer vision. The autonomous detection method aims to identify and accurately track the uncooperative targets in varied circumstances, including different camera spectral sensitivities, lighting, and backgrounds. Our method adapts to the relative distance between the observing spacecraft and the target, and different detection strategies are adjusted based on distance. At larger distances, we utilize You Only Look Once (YOLOv8), a multitask Convolutional Neural Network (CNN), for zero-shot and domain-specific single-shot real

Quantum computing has shown theoretical promise of speedup in several machine learning tasks, including generative tasks using generative adversarial networks (GANs). While quantum computers have been implemented with different types of technologies, recently, analog Rydberg atom quantum computers have been demonstrated to have desirable properties such as reconfigurable qubit (quantum bit) positions and multi-qubit operations. To leverage the properties of this technology, we propose ReCon, the first work to implement quantum GANs on analog Rydberg atom quantum computers. Our evaluation using simulations and real-computer executions shows 33% better quality (measured using Frechet Inception Distance (FID)) in generated images than the state-of-the-art technique implemented on superconducting-qubit technology.

Low-energy electron diffraction (LEED) is a widely used technique in surface-science. Yet, it is rarely used to its full potential. The quantitative information about the surface structure, contained in the modulation of the intensities of the diffracted beams as a function of incident electron energy, LEED I(V), is underutilized. To acquire these data, minor adjustments would be required in most experimental setups, but existing analysis software is cumbersome to use. ViPErLEED (Vienna package for Erlangen LEED) lowers these barriers, introducing a combined solution for data acquisition, extraction, and computational analysis. These parts are discussed in three separate publications. Here, the focus is on the computational part of ViPErLEED, which performs automated LEED-I(V) calculations and structural optimization. Minimal user input is required, and the functionality is significantly enhanced compared to existing solutions. Computation is performed by embedding the Erlangen tensor-LEED package (TensErLEED). ViPErLEED manages parallelization, monitors convergence, and processes input and output. This makes LEED I(V) more accessible to new users while minimizing the potential for

As part of the ViPErLEED project (Vienna package for Erlangen LEED, low-energy electron diffraction), computer programs have been developed for facile and user-friendly data extraction from movies of LEED images. The programs make use of some concepts from astronomical image processing and analysis. As a first step, flat-field and dark-frame corrections reduce the effects of inhomogeneities of the camera and screen. In a second step, for identifying all diffraction maxima ("spots"), it is sufficient to manually mark and label a single spot or very few spots. Then the program can automatically identify all other spots and determine the distortions of the image. This forms the basis for automatic spot tracking (following the "beams" as they move across the LEED screen) and intensity measurement. Even for complex structures with hundreds to a few thousand diffraction beams, this step takes less than a minute. The package also includes a program for further processing of these I(V) curves (averaging of equivalent beams, manual and/or automatic selection, smoothing) as well as several utilities. The software is implemented as a set of plugins for the public-domain image processing progr

Within the framework of the rigorous quantum theory of the atomic photoeffect and the scenario of photoemission from a crystal as an inverse LEED process, pulsed photoemission from a flat thin-film photoemitter formed by a double quantum well on a dielectric substrate is investigated. The spatiotemporal dependences of the charge and current densities are calculated using the density matrix method. Asymptotic estimates are made in terms of the evolution of wave packets and the concepts of the extreme phase and fastest descent. The possibility of generating charge and current density waves as a result of the population and decay of quasi-stationary states of a doublet of a double quantum well under photoexcitation of electrons in conducting layers from inside this well is shown. For comparison, calculations were made for photoemission from a metal film on a substrate without a heterostructure: the double-well heterostructure increases, stabilizes, and extends the photocurrent pulse. A comparison of the contributions of the outgoing and incoming waves of the inverse LEED problem is made, and the relative smallness of the contribution of the incoming wave is quantitatively demonstrated

Break-in' Point, a 2012 arts and science performance and community engagement research initiative, was presented in the spring and fall semesters at the University of Leeds in the United Kingdom at Stage@Leeds. The outcome of a collaboration between dance artist A3 and theoretical physicist A2, under the direction of performance researcher A1, Break-in' Point is based on a series of real-life encounters at intersections of arts and science - exploring force, risk, exposure and resilience. The Break-in' Point performance offered an interrogation of the critical point at which physical, mental, and/or emotional strength give way under stress - causing structural degeneration and the experience of what lies beyond. This article is an examination of the performance, reviewing and analysing it as an imagined somatic zone - embodied encounters that transcend temporal bound-ness, compelling and igniting new possibilities - that engaged spiritual and epistemological transformation of performers and audiences. The article addresses three main periods in the life of Break-in' Point: (1) the development period - script building and rehearsals, (2) the performance - live encounters between and

The formation and stability of a sulfur-rich surface of the zinc blende ZnS (001) single crystal have been examined by x-ray photoemission spectroscopy (XPS), low-energy electron diffraction (LEED), and density-functional theory (DFT) calculations. LEED patterns obtained from ZnS (001) surface prepared in ultrahigh vacuum conditions are compatible to the formation of the ($1 \times 2$) reconstruction. Further XPS investigation is consistent with the conversion of the surface region into a sulfur-rich surface. DFT calculations support the S-richer ZnS surface hypothesis and the indirect notion of increasing in the conductivity of such a new structure.

Urban road-based risk prediction is a crucial yet challenging aspect of research in transportation safety. While most existing studies emphasize accurate prediction, they often overlook the importance of model uncertainty. In this paper, we introduce a novel Spatial-Temporal Zero-Inflated Negative Binomial Graph Neural Network (STZINB-GNN) for road-level traffic risk prediction, with a focus on uncertainty quantification. Our case study, conducted in the Lambeth borough of London, UK, demonstrates the superior performance of our approach in comparison to existing methods. Although the negative binomial distribution may not be the most suitable choice for handling real, non-binary risk levels, our work lays a solid foundation for future research exploring alternative distribution models or techniques. Ultimately, the STZINB-GNN contributes to enhanced transportation safety and data-driven decision-making in urban planning by providing a more accurate and reliable framework for road-level traffic risk prediction and uncertainty quantification.

This paper discusses creating and analysing a new dataset for data mining and text analytics research, contributing to a joint Leeds University research project for the Corpus of National Dialects. This report investigates machine learning classifiers to classify samples of French dialect text across various French-speaking countries. Following the steps of the CRISP-DM methodology, this report explores the data collection process, data quality issues and data conversion for text analysis. Finally, after applying suitable data mining techniques, the evaluation methods, best overall features and classifiers and conclusions are discussed.