jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Linbin Huang | Xiaoting Huang | Jingjing Xia | Lining Huang | Huanjie Zhou | Min Chen | Baoren He | Meijun Chen | Qiuhong Mo | Tao Pan | Chao Ou
Source: Frontiers in Bioengineering and Biotechnology (article, 2026-02-23)
Field: Chemistry — Analytical Chemistry

Rapid and reagent-free screening of occult hepatitis B virus infection based on plasma Vis-NIR spectral pattern recognition These results indicated that Vis-NIR spectroscopy pattern recognition can accurately discriminate between OBI and normal controls' plasma samples. This method is reagent-free, rapid, and simple, making it suitable for large-scale, low-cost rapid screening of OBI. In particular, the proposed few-wavelength model can provide an important reference for the development of small specialized blood analyzers for OBI detection. Linear discriminant analysis ; Hepatitis B virus ; Pattern recognition (psychology) ; Occult ; Wavelength ; Virus ; Antibody ; Hepatitis B Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Remote-Sensing Image Classification
Authors: Gavin Ridley | Benoit Forget
Source: Nuclear Science and Engineering (article, 2026-02-05)
Field: Materials Science — Materials Chemistry

Direct Sampling of the Egelstaff-Schofield Scattering Law and the Phonon Sampling Method for Liquids The phonon sampling method (PSM) enables accurate and efficient simulation of thermal neutron scattering from solids; it obviates a substantial degree of discretization, enabling continuous representations of scattering law behavior across a variety of conditions. Despite these strengths, the PSM relies on the phonon expansion, which only applies to solid materials. To remove this limitation, we demonstrate an efficient sampling algorithm for the nonsymmetric translational 𝒮⁡(𝛼,𝛽) distribution of Egelstaff and Schofield, and show how this can be used to extend the PSM for the simulation of thermal neutron scattering in materials exhibiting mixed translational and vibrational behavior, such as water or molten salts. We demonstrate the correctness of the method with example results for scattering from room temperature water at a few incident neutron energies. Sampling (signal processing) ; Scattering ; Phonon ; Neutron scattering Material Dynamics and Properties ; Thermodynamic and Structural Properties of Metals and Alloys ; Advanced Physical and Chemical Molecular Interactions
Authors: Israel Rocha García | Oscar A. Gómez Vargas | Rosalía Trujillo Sánchez | Arturo Cruz Avilés | Samuel Lara Escamilla | Guillermo Barrios Martinez
Source: Ingenio y Conciencia Boletín Científico de la Escuela Superior Ciudad Sahagún (article, 2026-01-05)
Field: Materials Science — Metals and Alloys

Correlación entre microestructura y resistencia a la corrosión de un acero AISI 4140 previamente borurado: análisis electroquímico(polarización) y modelo predictivo La importancia de analizar la correlación entre la microestructura y la resistencia a la corrosión de un acero grado maquinaria borurado se presenta en este trabajo. Durante el desarrollo se utilizaron diferentes condiciones de tiempo y temperatura con el fin de generar la capa FeB/Fe2B sobre la superficie del material. Para garantizar las condiciones de la nueva superficie fue necesario llevar a cabo la caracterización microestructural y se utilizó microscopía óptica y electrónica, así como análisis de energía dispersiva, con el propósito de determinar las fases, espesores y su composición. La resistencia a la corrosión se evaluó mediante técnicas electroquímicas de polarización en un medio de ácido sulfúrico, obteniendo diferentes parámetros. Finalmente, se implementó un modelo predictivo basado en técnicas de aprendizaje para estimar el comportamiento electroquímico a partir de las variables del proceso y las características microestructurales. Los resultados indicaron que el crecimiento y la distribución de las fases boruradas influyen significativamente contra la corrosión y que el modelo predictivo puede ofrecer una herramienta confiable para anticipar el desempeño de este tipo de acero en ambientes agresivos. Work (physics) ; Reflectivity ; Ceramic composite Hydrogen embrittlement and corrosion behaviors in metals ; Metal and Thin Film Mechanics ; Microstructure and Mechanical Properties of Steels
Authors: Will Yeadon | T Amy Hardy | Paul Mackay | Elise Agra
Source: ArXiv.org (article, 2026-03-16)
Field: Materials Science — Materials Chemistry

Criterion-referenceability determines LLM-as-a-judge validity across physics assessment formats As large language models (LLMs) are increasingly considered for automated assessment and feedback, understanding when LLM marking can be trusted is essential. We evaluate LLM-as-a-judge marking across three physics assessment formats - structured questions, written essays, and scientific plots - comparing GPT-5.2, Grok 4.1, Claude Opus 4.5, DeepSeek-V3.2, Gemini Pro 3, and committee aggregations against human markers under blind, solution-provided, false-solution, and exemplar-anchored conditions. For $n=771$ blind university exam questions, models achieve fractional mean absolute errors (fMAE) $\approx 0.22$ with robust discriminative validity (Spearman $ρ> 0.6$). For secondary and university structured questions ($n=1151$), providing official solutions reduces MAE and strengthens validity (committee $ρ= 0.88$); false solutions degrade absolute accuracy but leave rank ordering largely intact (committee $ρ= 0.77$; individual models $ρ\geq 0.59$). Essay marking behaves fundamentally differently. Across $n=55$ scripts ($n=275$ essays), blind AI marking is harsher and more variable than human marking, with discriminative validity already poor ($ρ\approx 0.1$). Adding a mark scheme does not improve discrimination ($ρ\approx 0$; all confidence intervals include zero). Anchored exemplars shift the AI mean close to the human mean and compress variance below the human standard deviation, but discriminative validity remains near-zero - distributional agreement can occur without valid discrimination. For code-based plot elements ($n=1400$), models achieve exceptionally high discriminative validity ($ρ> 0.84$) with near-linear calibration. Across all task types, validity tracks criterion-referenceability - the extent to which a task maps to explicit, observable grading features - and benchmark reliability, rather than raw model capability. Discriminative model ; Raw score ; Benchmark (surveying) ; Grading (engineering) ; Scripting language ; Task (project management) ; Variance (accounting) Machine Learning in Materials Science ; Topic Modeling ; Explainable Artificial Intelligence (XAI)
Authors: А. В. Нечаева | В. В. Шалагаев | А. С. Заворин | Anna V. Nechaeva | Vadimir V. Shalagaev | Aleksander Zavorin
Source: SibFU Digital Repository (Siberian Federal University) (article, 2026-03-01)
Field: Materials Science — Materials Chemistry

Relationship Between Thermophysical Properties of Carbon Pipe Steel and Hydrogen-Induced Structural Transformations Приведены результаты экспериментальных исследований распределения температур и термических напряжений, возникающих при прогреве образцов из углеродистой стали, в их взаимосвязи с микроструктурными водород- индуцированными трансформациями. Рассмотрены образцы труб радиационных поверхностей нагрева, испытывающих при работе котла максимальный температурный градиент (фронтовая (огневая) сторона трубы обращена в сторону излучающей среды топки, а тыловая – к обмуровке). При этом с фронтовой стороны под действием водорода происходит трансформация феррито- перлитной микроструктуры в преимущественно ферритную структуру, с тыловой стороны микроструктура не изменяется. Этот микроструктурный градиент по сечению пар генерирующих труб приводит к разнице в 35 % в температурных напряжениях между наводороженной и неповрежденной стенкой (фронтовая/тыловая) в начальный момент прогрева. Далее, по мере прогрева стенки труб, эта разница снижается до 10 %. Полученные результаты могут объяснять факты разрушения водородохрупченных труб во время пуска котла, а не в стационарном режиме эксплуатации Carbon fibers ; Carbon steel ; Pipe ; Welding ; Water pipe ; Cementite Material Properties and Failure Mechanisms ; Hydrogen embrittlement and corrosion behaviors in metals ; Microstructure and Mechanical Properties of Steels
Authors: Ashraf Badir
Source: Electronic Journal of Structural Engineering (article, 2026-01-16)
Field: Materials Science — Materials Chemistry

Buckling of Multi-Span Frames with Newmark Method The Newmark’s numerical method of computing deflections, moments and buckling loads of isolated columns is extended for the analysis of elastic buckling loads and buckling modes of prismatic and non-prismatic single story, multi-span frames with combinations of hinged and fixed columns. Step-by-step description of the developed procedure is presented, using statics equilibrium, slope deflection equations and boundary conditions. The elastic line of the buckling mode is determined as a major part of the solution, and the numerical procedure is used to calculate the buckling loads and the columns’ effective length factor for multi-span frames. The most favorable variation of cross-section of tapered frame columns is calculated, giving the maximum possible elastic critical load of the frame for constant columns’ volume. Buckling ; Statics ; Critical load ; Deflection (physics) ; Boundary value problem ; Numerical analysis ; Vertical deflection ; Elasticity (physics) Structural mechanics and materials ; Heat Transfer and Mathematical Modeling ; Composite Structure Analysis and Optimization
Authors: Ondřej Červinka | Vlastimil Weiss | Martin Hrtoň | Petr Bouchal | Petr Liška | Filip Ligmajer | Tomáš Šikola | Petr Viewegh
Source: Journal of Applied Physics (article, 2026-02-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Establishing a library of metasurface building blocks through coherence-controlled holographic microscopy Digital holographic microscopy is a powerful tool for characterizing transparent and reflective phase objects. Its ability to reconstruct amplitude and phase can also offer great insight into wavefront shaping and design of all-dielectric optical metasurfaces. While metasurfaces have reached widespread popularity, their design is often based purely on the results of numerical simulations, which can overlook many of the real-world fabrication imperfections. Being able to verify the real phase response of a fabricated device is of great utility for high-performance devices. Here, we use holographic microscopy to validate metalibraries of rectangular TiO2 and Si building blocks. Illumination effects are studied for wavelengths from 600 to 740 nm and linear polarization rotating within the full range of unique states (0°–180°). Finally, by varying the numerical aperture of the condenser lens from 0.05 to 0.5, we also study the effects of an off-axis illumination. Comparing the experimental results with simulations from finite-difference time-domain and rigorous coupled-wave analysis, we highlight the limitations of these theoretical predictions and underscore the utility of an experimentally established library of building blocks. We demonstrate that our proposed method of holographic microscopy is both practical and effective for creating a metalibrary that accounts for all fabrication and material imperfections, which is crucial for designing high-efficiency metasurfaces. Holography ; Digital holographic microscopy ; Wavefront ; Fabrication ; Numerical aperture ; Microscopy ; Polarization (electrochemistry) ; Lens (geology) ; Optical microscope Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Advanced Antenna and Metasurface Technologies
Authors: TianChu LI | Yuanhuang Liu | Ning Wei | Wuqi Han
Source: Electronics Letters (article, 2026-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Hybrid FEA‐ML Optimization of Passive Low‐Frequency Shields With Eccentric Conductors ABSTRACT This work proposes an eccentric conductor plate design aimed at overcoming the pervasive issue of diminished shielding effectiveness (SE) at the boundaries of traditional plates, thereby enabling wider and more efficient low‐frequency electromagnetic shielding. Compared to traditional flat and other shaped plates, the wave‐type configuration demonstrates superior SE and effective shielding area, compared to traditional plat type, achieving a maximum increase of 12.36% in SE at the point of maximum magnetic field intensity and 94.42% in effective shielding coverage. Utilizing 1600 finite element analysis (FEA) simulations, a Deep Belief Networks—backpropagation model was developed to capture multi‑parameter relationships. This led to the establishment of a multi‑objective geometric optimization procedure based on central SE, SE at the point of maximum field strength, and effective shielding area, thereby laying a foundation for practical engineering applications. Electromagnetic shielding ; Conductor ; Shields ; Electrical conductor ; Finite element method ; Point (geometry) ; Magnetic field ; Eccentric Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Electromagnetic Fields and Biological Effects
Authors: M. V. Belyakov
Source: Agricultural science Euro-North-East (article, 2026-01-09)
Field: Chemistry — Analytical Chemistry

Varietal identification of soybeans by statistical parameters of light absorption The statistical parameters of the effective light absorption spectra of soybean seeds of various cultivars and ripeness groups were studied. The purpose of the research was to identify the varietal features and to develop an algorithm for varietal identification of soybeans according to the statistical parameters of absorption spectra during photoluminescence excitation. Spectral absorption characteristics were obtained using a CM2203 diffraction spectrofluorimeter in the wavelength range of λ = 230–600 nm. The statistical parameters of the spectra were calculated – mathematical expectation, variance, skewness and kurtosis. Effective light absorption during photoluminescence excitation occurs in the range from 300 nm to 550 nm with the main maxima at 420nm, 390 and 362 nm. Radiation absorption is caused by the presence of phenolic acids, carotenoids, riboflavin, as well as terpenoids, sporopollenin, lipofuscin, lignin, or flavonoids. The mathematical expectation and variance are determined with a relatively small relative error – no more than 1.2 and 7.6 %, respectively, and the errors in determining skewness and kurtosis can reach 16.1–22 %. By the magnitude of the asymmetry, the ‘Barguzin’ cultivar can be uniquely identified. The remaining studied cultivars can be identified with varying probability by all four statistical parameters. The ‘Vilana’ and ‘Vilana beta’ cultivars differ significantly in terms of variance. An algorithm for varietal identification based on the probabilistic identity of soybeans to known cultivars has been developed and a database of statistical parameters of soybean cultivars has been obtained. To increase accuracy, a combination of statistical and previously obtained integral absorption parameters is possible. In the future it is planned to increase the number of identified cultivars, clarify the ranges and develop an optoelectronic soybean varietal identification system. Kurtosis ; Cultivar ; Skewness ; Absorption (acoustics) ; Statistical model ; Statistical parameter ; Probabilistic logic ; Range (aeronautics) Spectroscopy and Chemometric Analyses ; Advanced Scientific Research Methods ; Agriculture and Biological Studies
Authors: Weihong Tang | Aixin Li | Thomas R. Austin | Sigrid K. Brækkan | Therese H. Nøst | Xumin Li | Rajat Deo | Ruth F. Dubin | Peter R. Ganz | Weihua Guan | Rui Cao | John-Bjarne Hansen | Kristian Hveem | Ron C. Hoogeveen | Christian Jonasson | Jerome I. Rotter | Kunihiro Matsushita | Guning Liu | James S. Pankow | Nathan Pankratz | Bruce M. Psaty | Kent D. Taylor | Florian Thibord | Eric Boerwinkle | Nicholas L. Smith | Mary Cushman | Folsom Ar
Source: Circulation (article, 2026-02-16)
Field: Chemistry — Spectroscopy

Novel Plasma Proteomic Markers and Risk of Venous Thromboembolism We identified several novel plasma proteins for VTE that reflect biological processes outside established VTE pathophysiology, including extracellular matrix regulation, immunity, immune-vascular endothelium interactions, and vascular senescence. Results may provide new modifiable targets to improve VTE risk stratification, prevention, or treatment. Venous thromboembolism ; Extracellular matrix ; Endothelium ; Thrombosis ; Vascular disease ; Disease ; Extracellular Advanced Proteomics Techniques and Applications ; Blood Coagulation and Thrombosis Mechanisms ; Venous Thromboembolism Diagnosis and Management
Authors: Dario Angelone | Keela Hannah Hughes | Hasti Yavari | Sara Eugenia Garduño Gómez | Brian C. Wilson | S Andersson-Engels | Katarzyna Komolibus | Sanathana Konugolu Venkata Sekar
Source: Journal of Biomedical Optics (article, 2026-03-24)
Field: Materials Science — Materials Chemistry

Development of solid-state fluorescence lifetime standards for clinical applications using dyed epoxy resins Dyed epoxy materials show strong potential as practical, scalable tools for FLIm system calibration and quality assurance. These standards may support cross-platform validation and benchmarking of emerging FLIm technologies and could contribute to the development of future regulatory frameworks for clinical adoption. Epoxy ; Fluorescence ; Optical fiber ; Optical materials ; Fluorescence spectroscopy Carbon and Quantum Dots Applications ; Dental Health and Care Utilization ; Nanoplatforms for cancer theranostics
Authors: Joonsuk Kang | Matthew Stephens
Source: Journal of Computational and Graphical Statistics (preprint, 2026-04-07)
Field: Chemistry — Analytical Chemistry

Empirical Bayes Covariance Decomposition, and a Solution to the Multiple Tuning Problem in Sparse PCA Sparse Principal Components Analysis (PCA) has been proposed as a way to improve both interpretability and reliability of PCA. However, use of sparse PCA in practice is hindered by the difficulty of tuning the multiple hyperparameters that control the sparsity of different PCs (the "multiple tuning problem", MTP). Here we present a solution to the MTP using Empirical Bayes methods. We first introduce a general formulation for penalized PCA of a data matrix $\mathbf{X}$, which includes some existing sparse PCA methods as special cases. We show that this formulation also leads to a penalized decomposition of the covariance (or Gram) matrix, $\mathbf{X}^T\mathbf{X}$. We introduce empirical Bayes versions of these penalized problems, in which the penalties are determined by prior distributions that are estimated from the data by maximum likelihood rather than cross-validation. The resulting "Empirical Bayes Covariance Decomposition" provides a principled and efficient solution to the MTP in sparse PCA, and one that can be immediately extended to incorporate other structural assumptions (e.g. non-negative PCA). We illustrate the effectiveness of this approach on both simulated and real data examples. Bayes' theorem ; Hyperparameter ; Principal component analysis ; Sparse PCA ; Covariance ; Interpretability ; Mathematics ; Computer science ; Sparse matrix ; Covariance matrix ; Bayesian probability ; Artificial intelligence ; Algorithm ; Statistics ; Chemistry Spectroscopy and Chemometric Analyses ; Blind Source Separation Techniques ; Sparse and Compressive Sensing Techniques
Authors: Samuel Z Khiangte | Triparna Sanyal | Sumantra Sarkar | Nairita Pal
Source: ArXiv.org (article, 2026-03-02)
Field: Materials Science — Materials Chemistry

Interface Fluctuations in a Turbulent Binary Fluid using Data-Driven Methods Interfacial fluctuations in a two-phase binary fluid mixture reveal signatures of underlying physical processes that occur within each phase and on a range of spatial and temporal scales. In this study, we investigate a model binary fluid system consisting of a single droplet of one phase moving in the background of the second phase. The binary fluid system is subjected to turbulent forcing. We perform extensive direct numerical simulations of the turbulent system to examine how quantities such as interfacial dynamics and droplet acceleration can be systematically decoded. Extensive simulations of binary fluid systems are computationally expensive and time-consuming. In contrast, data-driven models have shown promise in recent times in reducing computational cost. In this work, we build and compare the performances of four interpretable data-driven models, i.e., dynamic mode decomposition (DMD), Hankel DMD, sparse identification of nonlinear dynamics (SINDy), and Stochastic Langevin regression (SLR), each using dimensionality reduction via proper orthogonal decomposition, to identify simplified dynamical equations governing interfacial dynamics and center-of-mass acceleration. We show how these learned models can be generalized to encode physical properties, such as the interfacial surface tension and droplet size. In particular, we show that SLR predicts the underlying dynamical equations of the binary-fluid system with the greatest accuracy over a wide range of interfacial tension values and droplet sizes. In addition, SLR requires fewer terms compared to SINDy to capture the underlying dynamics, and is thus computationally the most efficient among the four methods. These data-driven techniques can be used in many practical applications, such as the dynamics of biological cell membranes, thin films, and other industrial applications. Binary number ; Nonlinear system ; Turbulence ; Dynamic mode decomposition ; Surface tension ; Curse of dimensionality ; Range (aeronautics) ; Dynamical systems theory ; Acceleration Block Copolymer Self-Assembly ; Fluid Dynamics and Thin Films ; Lattice Boltzmann Simulation Studies
Authors: Zachary R. Atkins | Jed Brown | Fabio Di Gioacchino | Layla Ghaffari | Zachariah Irwin | Rezgar Shakeri | Karen Stengel | Jeremy Thompson
Source: The Journal of Open Source Software (article, 2026-02-12)
Field: Materials Science — Materials Chemistry

Ratel: Performance portable solid mechanics with libCEED and PETSc with support for efficient high-order elements and CUDA and ROCm GPUs.Solid mechanics simulations provide vital information for many engineering applications, using a large amount of computational resources from workstation to supercomputing scales.The industry standard for implicit analysis uses assembled sparse matrices with low-order elements, typically 1 hexahedral and 2 tetrahedral elements, with the linear systems solved using sparse direct solvers, algebraic multigrid, or multilevel domain decomposition.This approach has two fundamental inefficiencies: poor approximation accuracy per Degree of Freedom (DoF) and high computational and memory cost per DoF due to choice of data structures and algorithms.High-order finite elements implemented in a matrix-free fashion with appropriate preconditioning strategies can overcome these inefficiencies.Integrating more efficient data structures and algorithms into solid mechanics software libraries can greatly improve engineering workflows and allow users to better utilize their computational resources while new technologies like Automatic Differentiation can be used to shorten development time. Solid surface ; Micromechanics ; Atomic force microscopy Machine Learning in Materials Science ; Advanced Electron Microscopy Techniques and Applications ; Parallel Computing and Optimization Techniques