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At least 109 records · Page 6

Unsupervised data mining in nanoscale x-ray spectro-microscopic study of NdFeB magnet

Novel developments in X-ray based spectro-microscopic characterization techniques have increased the rate of acquisition of spatially resolved spectroscopic data by several orders of magnitude over what was possible a few years ago. This accelerated data acquisition, with high spatial resolution at nanoscale and sensitivity to subtle differences in chemistry and atomic structure, provides a unique opportunity to investigate hierarchically complex and structurally heterogeneous systems found in functional devices and materials systems. However, handling and analyzing the large volume data generated poses significant challenges. Here we apply an unsupervised data-mining algorithm known as DBSCAN to study a rare-earth element based permanent magnet material, Nd 2 Fe 14 B. We are able to reduce a large spectro-microscopic dataset of over 300,000 spectra to 3, preserving much of the underlying information. Scientists can easily and quickly analyze in detail three characteristic spectra. Our approach can rapidly provide a concise representation of a large and complex dataset to materials scientists and chemists. For instance, it shows that the surface of common Nd 2 Fe 14 B magnet is chemically and structurally very different from the bulk, suggesting a possible surface alteration effect possibly due to the corrosion, which could affect the material’s overall properties.

36 MATERIALS SCIENCE↗

Driving Parameters for Distributed and Centralized Air Transportation Architectures

This report considers the problem of intersecting aircraft flows under decentralized conflict avoidance rules. Using an Eulerian standpoint (aircraft flow through a fixed control volume), new air traffic control models and scenarios are defined that enable the study of long-term airspace stability problems. Considering a class of two intersecting aircraft flows, it is shown that airspace stability, defined both in terms of safety and performance, is preserved under decentralized conflict resolution algorithms. Performance bounds are derived for the aircraft flow problem under different maneuver models. Besides analytical approaches, numerical examples are presented to test the theoretical results, as well as to generate some insight about the structure of the traffic flow after resolution. Considering more than two intersecting aircraft flows, simulations indicate that flow stability may not be guaranteed under simple conflict avoidance rules. Finally, a comparison is made with centralized strategies to conflict resolution.

Feron, Eric↗

A multi criteria analog model for assessing the vulnerability of rural catchments to road spills of hazardous substances

Road spills of hazardous substances are common in developing countries due to increasing industrialization and traffic accidents, and represent a serious threat to soils and water in catchments. There is abundant literature on equations describing the wash-off of pollutants from roads during a storm event and there are a number of watershed models incorporating those equations in storm water quality algorithms that route runoff and pollution yields through a drainage system towards the catchment outlet. However, methods describing catchment vulnerability to contamination by road spills based solely on biophysical parameters are scarce. These methods could be particularly attractive to managers because they can operate with a limited amount of easily collectable data, while still being able to provide important insights on the areas more prone to contamination within the studied watershed. The purpose of this paper was then to contribute with a new vulnerability model. To accomplish the goal, a selection of medium properties appearing in wash-off equations and routing algorithms were assembled and processed in a parametric framework based on multi criteria analysis to define the watershed vulnerability. However, parameters had to be adapted because wash-off equations and water quality models have been developed to operate primarily in the urban environment while the vulnerability model is meant to run in rural watersheds. The selected parameters were hillside slope, ground roughness (depending on land use), soil permeability (depending on soil type), distance to water courses and stream density. The vulnerability model is a spatially distributed algorithm that was prepared to run under the IDRISI Selva software, a GIS platform capable of handling spatial and alphanumeric data and execute the necessary terrain model, hydrographic and thematic analyses. For illustrative purposes, the vulnerability model was applied to the legally protected Environmental Protection Area (APA), located in the Uberaba region, state of Minas Gerais, Brazil. In this region, the risk of accidents causing chemical spills is preoccupying because large quantities of dangerous materials are transported in two important distribution highways while the APA is fundamental for the protection of water resources, the riverine ecosystems and remnants of native vegetation. In some tested scenarios, model results show 60% of vulnerable areas within the studied area. The most sensitive parameter to vulnerability is soil type. To prevent soils from contamination, specific measures were proposed involving minimization of land use conflicts that would presumably raise the soil's organic matter and in the sequel restore the soil's structural functions. Additionally, the present study proposed the preservation and reinforcement of riparian forests as one measure to protect the quality of surface water. - Highlights: • A multi criteria analog model was developed to assess rural catchment vulnerability along roads. • Model parameters were defined by analogy with urban wash-off equations and routing algorithms. • The model mixes up various biophysical and socio-economic parameters. • Model application was based on a scenario analysis. • The study is focused on the Environmental Protection Area of Uberaba River, Brazil.

54 ENVIRONMENTAL SCIENCES↗

Thermodynamics of correlated electrons in a magnetic field

The Hofstadter–Hubbard model captures the physics of strongly correlated electrons in an applied magnetic field, which is relevant to many recent experiments on Moiré materials. Few large-scale, numerically exact simulations exists for this model. In this work, we simulate the Hubbard–Hofstadter model using the determinant quantum Monte Carlo (DQMC) algorithm. We report the field and Hubbard interaction strength dependence of charge compressibility, fermion sign, local moment, magnetic structure factor, and specific heat. The gross structure of magnetic Bloch bands and band gaps determined by the non-interacting Hofstadter spectrum is preserved in the presence of U. Incompressible regions of the phase diagram have improved fermion sign. At half filling and intermediate and larger couplings, a strong orbital magnetic field delocalizes electrons and reduces the effect of Hubbard U on thermodynamic properties of the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Multiresolution edge detection using enhanced fuzzy c-means clustering for ultrasound image speckle reduction

Purpose: Speckle suppression in ultrasound (US) images of various anatomic structures via a novel speckle noise reduction algorithm. Methods: The proposed algorithm employs an enhanced fuzzy c-means (EFCM) clustering and multiresolution wavelet analysis to distinguish edges from speckle noise in US images. The edge detection procedure involves a coarse-to-fine strategy with spatial and interscale constraints so as to classify wavelet local maxima distribution at different frequency bands. As an outcome, an edge map across scales is derived whereas the wavelet coefficients that correspond to speckle are suppressed in the inverse wavelet transform acquiring the denoised US image. Results: A total of 34 thyroid, liver, and breast US examinations were performed on a Logiq 9 US system. Each of these images was subjected to the proposed EFCM algorithm and, for comparison, to commercial speckle reduction imaging (SRI) software and another well-known denoising approach, Pizurica's method. The quantification of the speckle suppression performance in the selected set of US images was carried out via Speckle Suppression Index (SSI) with results of 0.61, 0.71, and 0.73 for EFCM, SRI, and Pizurica's methods, respectively. Peak signal-to-noise ratios of 35.12, 33.95, and 29.78 and edge preservation indices of 0.94, 0.93, and 0.86 were found for the EFCM, SIR, and Pizurica's method, respectively, demonstrating that the proposed method achieves superior speckle reduction performance and edge preservation properties. Based on two independent radiologists’ qualitative evaluation the proposed method significantly improved image characteristics over standard baseline B mode images, and those processed with the Pizurica's method. Furthermore, it yielded results similar to those for SRI for breast and thyroid images significantly better results than SRI for liver imaging, thus improving diagnostic accuracy in both superficial and in-depth structures. Conclusions: A new wavelet-based EFCM clustering model was introduced toward noise reduction and detail preservation. The proposed method improves the overall US image quality, which in turn could affect the decision-making on whether additional imaging and/or intervention is needed.

60 APPLIED LIFE SCIENCES↗

Smooth periodic gauge satisfying crystal symmetry and periodicity to study high-harmonic generation in solids

Intense lasers can easily drive nonadiabatic transitions of excited electron wave packets across the Brillouin zones, thus transition dipole moments (TDM) between energy bands of solids should be continuous, satisfying crystal symmetry, and periodic at zone boundaries. While current ab initio algorithms are powerful in calculating band structures of solids, they all introduced random phases into the eigenfunctions at each crystal momentum k. In this work, we show how to choose a “smooth-periodic” gauge where TDMs can be smooth versus k, preserving crystal symmetry, as well as maintaining periodic at boundaries. The symmetry properties of TDMs with respect to k ensure the absence of even-order harmonics from MgO with inversion symmetry, while the TDM in the “smooth-periodic” gauge for broken-symmetry ZnO is responsible for even harmonics that were underestimated in previous simulations. These results reveal the importance of correctly treating the complex TDMs that satisfy crystal symmetry and continuous across zone boundaries in nonlinear laser-solid interactions, which has been elusive in most theories so far.

36 MATERIALS SCIENCE↗

Enhancing segmentation fairness through curriculum learning and progressive loss: a centralized and federated perspective on radiograph analysis

Bias in medical image segmentation can lead to unequal performance across demographic subgroups, raising concerns about fairness and reliability in clinical AI systems. While deep learning models have achieved high segmentation accuracy, ensuring equitable performance across race and gender remains a significant challenge, particularly in privacy-sensitive healthcare environments. This study investigates fairness-aware medical image segmentation for hip and knee radiographs using deep learning models evaluated in both centralized and Federated Learning (FL) settings. We introduce Curriculum Learning (CL) strategies and Progressive Loss (PL) functions to regulate sample difficulty during training. In addition, we propose two novel fairness-oriented federated learning algorithms, Federated Intersection over Union (FedIoU) and Federated Intersection over Union with Outlier Analysis (FedIoUoutlier). Experiments are conducted using multiple segmentation backbones and simulated multi-site data partitions derived from the Osteoarthritis Initiative dataset. Model performance is evaluated using Intersection over Union (IoU), IoU standard deviation, Skewed Error Ratio (SER), and Min-Max Disparity across race and gender subgroups. Statistical significance was verified using paired t-tests to compare per-sample IoU performance against baseline configurations. Across both hip and knee segmentation tasks, curriculum learning and progressive loss strategies consistently improved segmentation accuracy and reduced demographic performance disparities in centralized training. In federated settings, fairness-aware aggregation further enhanced performance. Notably, FedIoUoutlier combined with balanced curriculum learning and tiered progressive loss achieved the highest mean IoU while yielding the lowest SER and Min-Max Disparity, indicating improved fairness without sacrificing accuracy. In several configurations, federated models matched or exceeded the performance of optimized centralized models, with statistically significant improvements in per-sample IoU over baseline configurations. The results demonstrate that structured training strategies and fairness-aware federated aggregation can jointly improve accuracy, stability, and demographic fairness in medical image segmentation. By integrating curriculum learning, progressive loss, and novel FL algorithms, this work provides a practical pathway toward equitable and privacy-preserving AI systems for medical imaging.

97 MATHEMATICS AND COMPUTING↗

Assessment of metal artifact reduction methods in pelvic CT

Purpose: Metal artifact reduction (MAR) produces images with improved quality potentially leading to confident and reliable clinical diagnosis and therapy planning. In this work, the authors evaluate the performance of five MAR techniques for the assessment of computed tomography images of patients with hip prostheses. Methods: Five MAR algorithms were evaluated using simulation and clinical studies. The algorithms included one-dimensional linear interpolation (LI) of the corrupted projection bins in the sinogram, two-dimensional interpolation (2D), a normalized metal artifact reduction (NMAR) technique, a metal deletion technique, and a maximum a posteriori completion (MAPC) approach. The algorithms were applied to ten simulated datasets as well as 30 clinical studies of patients with metallic hip implants. Qualitative evaluations were performed by two blinded experienced radiologists who ranked overall artifact severity and pelvic organ recognition for each algorithm by assigning scores from zero to five (zero indicating totally obscured organs with no structures identifiable and five indicating recognition with high confidence). Results: Simulation studies revealed that 2D, NMAR, and MAPC techniques performed almost equally well in all regions. LI falls behind the other approaches in terms of reducing dark streaking artifacts as well as preserving unaffected regions (p < 0.05). Visual assessment of clinical datasets revealed the superiority of NMAR and MAPC in the evaluated pelvic organs and in terms of overall image quality. Conclusions: Overall, all methods, except LI, performed equally well in artifact-free regions. Considering both clinical and simulation studies, 2D, NMAR, and MAPC seem to outperform the other techniques.

60 APPLIED LIFE SCIENCES↗

Multiscale X-ray phase contrast imaging of human cartilage for investigating osteoarthritis formation

The evolution of cartilage degeneration is still not fully understood, partly due to its thinness, low radio-opacity and therefore lack of adequately resolving imaging techniques. X-ray phase-contrast imaging (X-PCI) offers increased sensitivity with respect to standard radiography and CT allowing an enhanced visibility of adjoining, low density structures with an almost histological image resolution. This study examined the feasibility of X-PCI for high-resolution (sub-) micrometer analysis of different stages in tissue degeneration of human cartilage samples and compare it to histology and transmission electron microscopy. Ten 10%-formalin preserved healthy and moderately degenerated osteochondral samples, post-mortem extracted from human knee joints, were examined using four different X-PCI tomographic set-ups using synchrotron radiation the European Synchrotron Radiation Facility (France) and the Swiss Light Source (Switzerland). Volumetric datasets were acquired with voxel sizes between 0.7 × 0.7 × 0.7 and 0.1 × 0.1 × 0.1 µm 3 . Data were reconstructed by a filtered back-projection algorithm, post-processed by ImageJ, the WEKA machine learning pixel classification tool and VGStudio max. For correlation, osteochondral samples were processed for histology and transmission electron microscopy. X-PCI provides a three-dimensional visualization of healthy and moderately degenerated cartilage samples down to a (sub-)cellular level with good correlation to histologic and transmission electron microscopy images. X-PCI is able to resolve the three layers and the architectural organization of cartilage including changes in chondrocyte cell morphology, chondrocyte subgroup distribution and (re-)organization as well as its subtle matrix structures. X-PCI captures comprehensive cartilage tissue transformation in its environment and might serve as a tissue-preserving, staining-free and volumetric virtual histology tool for examining and chronicling cartilage behavior in basic research/laboratory experiments of cartilage disease evolution.

3D analysis↗

Symmetry and Error Mitigation in Quantum Alternating Operator Ansatz

Quantum Alternating Operator Ansatz (QAOA) provides a platform for probing quantum advantage in optimization problems on NISQ hardware. By exploring symmetries in the system and the structure of unitaries in the algorithm, we proposed using problem-specific mixing operators to limit the quantum evolution within a subspace where the target state lives. As an example, in case of equality constraint, we studied the use of XY operators that preserve total Pauli Z. This QAOA variant, in the noiseless case, significantly outperforms the vanilla version of QAOA where the constraints are encoded as penalty in the cost Hamiltonian and the search is in the whole Hilbert space. In presence of noise, although the advantage still holds, error mitigation is needed for QAOA. I will overview our work on the design of QAOA in presence of symmetry, the implementation and compilation of XY-QAOA, its performance and error mitigation techniques in presence of noise.

Zhihui Wang↗

WE-FG-207B-04: Noise Suppression for Energy-Resolved CT Via Variance Weighted Non-Local Filtration

Purpose: The photon starvation problem is exacerbated in energy-resolved CT, since the detected photons are shared by multiple energy channels. Using pixel similarity-based non-local filtration, we aim to produce accurate and high-resolution energy-resolved CT images with significantly reduced noise. Methods: Averaging CT images reconstructed from different energy channels reduces noise at the price of losing spectral information, while conventional denoising techniques inevitably degrade image resolution. Inspired by the fact that CT images of the same object at different energies share the same structures, we aim to reduce noise of energy-resolved CT by averaging only pixels of similar materials - a non-local filtration technique. For each CT image, an empirical exponential model is used to calculate the material similarity between two pixels based on their CT values and the similarity values are organized in a matrix form. A final similarity matrix is generated by averaging these similarity matrices, with weights inversely proportional to the estimated total noise variance in the sinogram of different energy channels. Noise suppression is achieved for each energy channel via multiplying the image vector by the similarity matrix. Results: Multiple scans on a tabletop CT system are used to simulate 6-channel energy-resolved CT, with energies ranging from 75 to 125 kVp. On a low-dose acquisition at 15 mA of the Catphan©600 phantom, our method achieves the same image spatial resolution as a high-dose scan at 80 mA with a noise standard deviation (STD) lower by a factor of >2. Compared with another non-local noise suppression algorithm (ndiNLM), the proposed algorithms obtains images with substantially improved resolution at the same level of noise reduction. Conclusion: We propose a noise-suppression method for energy-resolved CT. Our method takes full advantage of the additional structural information provided by energy-resolved CT and preserves image values at each energy level. Research reported in this publication was supported by the National Institute Of Biomedical Imaging And Bioengineering of the National Institutes of Health under Award Number R21EB019597. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health.

60 APPLIED LIFE SCIENCES↗

Inclusion of elastically connected members in exact buckling and frequency calculations

A standard stiffness matrix procedure which permits any combination of rigid, elastic, pinned or sliding connections of the degrees of freedom at the ends of a member to the nodes of its parent structure is described, in order to show how easily it can be extended to allow an existing algorithm to be used to ensure that no eigenvalues of the parent structure can be missed even when 'exact' member theory is used. The eigenvalues are the natural frequencies of undamped free vibration analyses or the critical load factors of buckling problems. The method preserves the exactness of the member theory and an efficient method for computer application is indicated. The theory also permits any combination of rigid, elastic, pinned or sliding connections between the freedoms of a substructure and those of its parent structure.

Williams, F. W.↗

Embedded mesh solutions of the Euler equation using a multiple-grid method

New developments make it now possible to obtain solutions to Euler equations for many problems on the basis of acceptable computing times. The possibility of an extension of these methods to more difficult flows and increasingly complex geometries can depend on obtaining suitable grid structures. Thus, an attractive approach to complex geometries involves the recasting of the problem into the framework of a multiple-grid structure. The discrete equations represented on the grid are solved as a simultaneous system. In the present investigation, this is accomplished with the aid of Ni's multiple-grid algorithm. The multiple-grid structure provided in this study represents the first step towards a completely general modular approach to the solution of the complete compressible flow problem. In the presented cases, a fine mesh resolution is obtained within the embedded mesh regions, while preserving the global coarse mesh convergence rates.

Usab, W. J., Jr.↗

Quantum Criticality Under Imperfect Teleportation

Entanglement, measurement, and classical communication together enable teleportation of quantum states between distant parties, in principle, with perfect fidelity. To what extent do correlations and entanglement of a many-body wave function transfer under teleportation protocols? We address this question for the case of an imperfectly teleported quantum critical wave function, focusing on the ground state of a critical Ising chain. We demonstrate that imperfections, e.g., in the entangling gate adopted for a given protocol, effectively manifest as weak measurements acting on the otherwise pristinely teleported critical state. Armed with this perspective, we leverage and further develop the theory of measurement-altered quantum criticality to quantify the resilience of critical-state teleportation. We identify classes of teleportation protocols for which imperfection (i) preserves both the universal long-range entanglement and correlations of the original quantum critical state, (ii) weakly modifies these quantities away from their universal values, and (iii) obliterates long-range entanglement altogether while preserving power-law correlations, albeit with a new set of exponents. We also show that mixed states describing the average over a series of sequential imperfect teleportation events retain pristine power-law correlations due to a “built-in” decoding algorithm, though their entanglement structure measured by the negativity depends on errors similarly to individual protocol runs. These results may allow one to design teleportation protocols that optimize against errors—highlighting a potential practical application of measurement-altered criticality. Published by the American Physical Society 2024

Physics↗

Maximizing efficiency of dataset compression for machine learning potentials with information theory

Machine learning interatomic potentials (MLIPs) balance high accuracy and lower costs compared to density functional theory calculations, but their performance often depends on the size and diversity of training datasets. Large datasets improve model accuracy and generalization but are computationally expensive to produce and train on, while smaller datasets risk discarding rare but important atomic environments and compromising MLIP accuracy/reliability. Here, we develop an information-theoretical framework to quantify the efficiency of dataset compression methods and propose an algorithm that maximizes this efficiency. By framing atomistic dataset compression as an instance of the minimum set cover (MSC) problem over atom-centered environments, our method identifies the smallest subset of structures that contains as much information as possible from the original dataset while pruning redundant information. The approach is extensively demonstrated on the GAP-20 and TM23 datasets and validated on 64 varied datasets from the ColabFit repository. Across all cases, MSC consistently retains outliers, preserves dataset diversity, and reproduces the long-tail distributions of forces even at high compression rates, outperforming other subsampling methods. Furthermore, MLIPs trained on MSC-compressed datasets exhibit reduced error for out-of-distribution data even in low-data regimes. We explain these results using an outlier analysis and show that such quantitative conclusions could not be achieved with conventional dimensionality reduction methods. The algorithm is implemented in the open-source QUESTS package and can be used for several tasks in atomistic modeling, from data subsampling, outlier detection, and training improved MLIPs at a lower cost.

36 MATERIALS SCIENCE↗

Microstructural characterization of random packings of cubic particles

Understanding the properties of random packings of solid objects is of critical importance to a wide variety of fundamental scientific and practical problems. The great majority of the previous works focused, however, on packings of spherical and sphere-like particles. We report the first detailed simulation and characterization of packings of non-overlapping cubic particles. Such packings arise in a variety of problems, ranging from biological materials, to colloids and fabrication of porous scaffolds using salt powders. In addition, packing of cubic salt crystals arise in various problems involving preservation of pavements, paintings, and historical monuments, mineral-fluid interactions, CO 2 sequestration in rock, and intrusion of groundwater aquifers by saline water. Not much is known, however, about the structure and statistical descriptors of such packings. We have developed a version of the random sequential addition algorithm to generate such packings, and have computed a variety of microstructural descriptors, including the radial distribution function, two-point probability function, orientational correlation function, specific surface, and mean chord length, and have studied the effect of finite system size and porosity on such characteristics. Here, the results indicate the existence of both spatial and orientational long-range order in the packing, which is more distinctive for higher packing densities.

36 MATERIALS SCIENCE↗

Robotic Scaffolds for Tissue Engineering and Organ Growth

The aim of tissue engineering (TE) is to restore tissue and organ functions with minimal host rejection. TE is seen as a future solution to solve the crisis of donor organs for transplant, which faces a shortage expected only to increase in the future. In this innovation, a flexible and configurable scaffold has been conceived that mechanically stresses cells that are seeded on it, stimulating them to increased growth. The influence of mechanical stress/ loading on cell growth has been observed on all forms of cells. For example, for cartilages, studies in animals, tissue explants, and engineered tissue scaffolds have all shown that cartilage cells (chondrocytes) modify their extracellular matrix in response to loading. The chondrocyte EMC production response to dynamics of the physical environment (in vivo cartilage development) illustrates a clear benefit (better growth) when stressed. It has been shown that static and dynamic compression regulates PRG4 biosynthesis by cartilage explants. Mechanical tissue stimulation is beneficial and (flexible) scaffolds with movable components, which are able to induce mechanical stimulation, offer advantages over the fixed, rigid scaffold design. In addition to improved cell growth from physical/mechanical stimulation, additional benefits include the ability to increase in size while preserving shape, or changing shape. By making scaffolds flexible, allowing relative movement between their components, adding sensing (e.g., for detecting response of cells to drug release and to mechanical actions), building controls for drug release and movement, and building even simple algorithms for mapping sensing to action, these structures can actually be made into biocompatible and biodegradable robots. Treating them as robots is a perspective shift that may offer advantages in the design and exploitation of these structures of the future.

Stoica, Adrian↗

Partitioning of Large-Scale Power Electronics-Based Power Systems for Small-Signal Stability Analysis

The nodal admittance matrix (NAM)-based approach is suitable for analyzing the small-signal stability of large-scale power electronics-based power systems (PEPSs) as it preserves the system structure by utilizing the admittance matrix. Previously, NAM-based area partition has been proposed, which divides the system into various subareas and interconnections for easier analysis of the low-dimension matrix compared to the entire system-based high-dimension matrix. However, no partition algorithm has been presented for the NAM-based area partition method. This paper focuses on implementing the spectral partitioning algorithm for partitioning large-scale PEPSs into a low-dimension matrix to reduce the computation complexity of the analysis. These spectral components facilitate data transformation into a new space, enabling the application of traditional clustering methods like k-means. To evaluate the performance of the partitioning method, the subareas and interconnections obtained from the spectral clustering algorithm are incorporated into the NAM-based area partition method for a large system with 140 buses. The computational times of the original method, where the NAM-based criterion is directly applied to the entire system, are compared with those of the NAM-based partition method in MATLAB. PSCAD simulations of the whole system and the obtained subareas are conducted to validate the effectiveness of the proposed algorithm.

Nupur, Nupur↗