jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Charles A. Ross | Gabriele Gradoni | Qi Jian Lim | Zhen Peng
Source:  (preprint, 2021-05-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Engineering Reflective Metasurfaces with Ising Hamiltonian and Quantum Annealing &lt;div&gt;&lt;div&gt;&lt;div&gt;&lt;p&gt;We present a novel and flexible method to optimize the phase response of reflective metasurfaces towards a desired scattering profile. The scattering power is expressed as a spin-chain Hamiltonian using the radar cross section formalism. For metasurfaces reflecting an oblique plane wave, an Ising Hamiltonian is obtained. Thereby, the problem of achieving the scattering profile is recast into finding the ground-state solution of the associated Ising Hamiltonian. To rapidly explore the configuration states, we encode the Ising coefficients with quantum annealing algorithms, taking advantage of the fact that the adiabatic evolution efficiently performs energy minimization in the Ising model. Finally, the optimization problem is solved on the D-Wave 2048-qubit quantum adiabatic optimizer machine for binary phase as well as quadriphase reflective metasurfaces. Even though the work is focused on the phase modulation of metasurfaces, we believe this approach paves the way to fast optimization of reconfigurable intelligent surfaces that are mod- ulated in both amplitude and phase for multi-beam generation in and beyond 5G/6G mobile networks.&lt;/p&gt;&lt;/div&gt;&lt;/div&gt;&lt;/div&gt; Ising model ; Hamiltonian (control theory) ; Adiabatic process ; Adiabatic quantum computation ; Scattering ; Quantum ; Physics ; Geometric phase ; Quantum computer ; Quantum mechanics ; Mathematics ; Mathematical optimization Metamaterials and Metasurfaces Applications ; Advanced Wireless Communication Technologies ; Advanced Memory and Neural Computing
Authors: Julia Casado
Source: Työväentutkimus Vuosikirja (article, 2021-04-22)
Field: Chemistry — Spectroscopy

Proteogenomics methods for translational cancer research Cancer continues to be a major clinical and societal challenge. Globally, the cancer burden rises every year with a new record of 18.1 million new cases and 9.6 million cancer deaths, as reported by the World Health Organization. Despite the increased financial efforts of western countries to cure this disease, it is expected that in the year 2040, over one-third of the population will be diagnosed with cancer. \n\nThe gap in translating basic research into clinical benefit requires cross-disciplinary approaches to harness large data from the complex molecular systems and cellular organization within the tumor. The main obstacles in current cancer care are late detection and therapy resistance. While high-throughput and single-cell methodologies have become an advisable tool to analyze molecular profiles, their use for clinical decision-making is still missing.\n\nThis thesis aims to propose efficient methodologies to connect molecular and cellular profiling research to cancer therapy outcomes. In the first and second publications, we made available software to rapidly analyze large mass cytometry data with high resolution and interaction-assisted interpretation steps for the analysis. These methods allow the rapid profiling of tumor cell populations and their association with therapy response. As part of the third project, we developed new image analysis methods to identify therapy response predictors from highly multiplexed images. We found that spatial organization within the tumor microenvironment was highly associated with DNA damage genome scarring. In the fourth study, we designed a new method to identify epigenetically reversible drug resistance mechanisms in tumor cells. \n\nThe application of novel methodologies contributed to a better understanding of the roles of genomic and proteomic features in the tumor-immune microenvironment in response to modern anti-cancer therapies. Proteogenomics ; Computer science ; Computational biology ; Biology ; Genomics ; Genome Advanced Proteomics Techniques and Applications ; Protein Degradation and Inhibitors ; Ubiquitin and proteasome pathways
Authors: Genet Abay Shiferaw | Ralf Gabriels | Robbin Bouwmeester | Tim Van Den Bossche | Elien Vandermarliere | Lennart Martens | Pieter‐Jan Volders
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2021-04-11)
Field: Chemistry — Spectroscopy

Sensitive and specific spectral library searching with COSS and Percolator ABSTRACT Maintaining high sensitivity while limiting false positives is a key challenge in peptide identification from mass spectrometry data. Here, we therefore investigate the effects of integrating the machine learning-based post-processor Percolator into our spectral library searching tool COSS. To evaluate the effects of this post-processing, we have used forty data sets from two different projects and have searched these against the NIST and MassIVE spectral libraries. The searching is carried out using two spectral library search tools, COSS and MSPepSearch with and without Percolator post-processing, and using sequence database search engine MS-GF+ as a baseline comparator. The addition of the Percolator rescoring step to COSS is effective and results in a substantial improvement in sensitivity and specificity of the identifications. COSS is freely available as open source under the permissive Apache2 license, and binaries and source code are found at https://github.com/compomics/COSS Computer science ; NIST ; False positive paradox ; Limiting ; Key (lock) ; MIT License ; Identification (biology) ; Mascot ; Sensitivity (control systems) ; Source code ; Database search engine ; Hash function ; Code (set theory) ; License ; Information retrieval ; Software ; Search engine ; Artificial intelligence ; Programming language ; Natural language processing ; Operating system Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Christopher T. Nelson | Maxim Ziatdinov | Xiaohang Zhang | Rama K. Vasudevan | Eugen Eliseev | Anna N. Morozovska | Ichiro Takeuchi | Sergei V. Kalinin
Source: Microscopy and Microanalysis (article, 2021-07-30)
Field: Materials Science — Surfaces, Coatings and Films

Causal Analysis of Parameterized Atomic HAADF-STEM Across a Doped Ferroelectric Phase Boundary An abstract is not available for this content so a preview has been provided. As you have access to this content, a full PDF is available via the ‘Save PDF’ action button. Parameterized complexity ; Phase boundary ; Ferroelectricity ; Materials science ; Doping ; Boundary (topology) ; Phase (matter) ; Condensed matter physics ; Optoelectronics ; Computer science ; Physics ; Mathematical analysis ; Mathematics ; Algorithm ; Quantum mechanics ; Dielectric Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Geophysical and Geoelectrical Methods
Authors: Hiroshi NAGAMOCHI | Jianshen Zhu | Naveed Ahmed AZAM | Kazuya HARAGUCHI | Zhao Liang | Tatsuya AKUTSU
Source: Journal of Computer Chemistry Japan (article, 2021-01-01)
Field: Chemistry — Organic Chemistry

機械学習QSARの整数計画法に基づく逆解析法 [in Japanese] Quantitative structure–activity relationship ; Traditional medicine ; Psychology ; Chemistry ; Medicine ; Stereochemistry Chemical Thermodynamics and Molecular Structure ; Free Radicals and Antioxidants ; Computational Drug Discovery Methods
Authors: Zhen-hua Xing | Zhen Wang | Hang Xu | Miao Xu | Xiaolin Mou | Lu-xiao Wu | Kun Yang | Zhao Liu
Source: E3S Web of Conferences (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Optimization design and development of UHF omnidirectional wideband antenna for PD detection in substation In order to meet the requirements of partial discharge (PD) detection of electrical equipment in substation station area, the ultra-high frequency (UHF) antenna with broadband, high gain and horizontal plane (H-plane) omnidirectional is studied and designed as a PD sensor. By analyzing the characteristic impedance and structural characteristics of the biconic antenna, it is determined to be an UHF omnidirectional wideband antenna for detecting PD. The influence of structural parameters such as half-cone angle and vertebral body height on the antenna performance is simulated. At last, a double cone antenna is made and its bandwidth, directional pattern, gain and equivalent height are tested. Omnidirectional antenna ; Biconical antenna ; Antenna (radio) ; Ultra high frequency ; Acoustics ; Broadband ; Coaxial antenna ; Radiation pattern ; Antenna measurement ; Wideband ; Dipole antenna ; Optics ; Electrical engineering ; Physics ; Engineering High voltage insulation and dielectric phenomena
Authors: S S Vijayashekhar | Jignesh S. Bhatt
Source:  (preprint, 2021-01-16)
Field: Chemistry — Analytical Chemistry

A blind spectral unmixing in wavelet domain Hyperspectral data - Systems, Processing, Information extraction Wavelet ; Artificial intelligence ; Computer science ; Domain (mathematical analysis) ; Pattern recognition (psychology) ; Mathematics ; Mathematical analysis Spectroscopy and Chemometric Analyses ; Remote-Sensing Image Classification
Authors: Hasan Özdoğan
Source: Süleyman Demirel Üniversitesi Fen Edebiyat Fakültesi Fen Dergisi (article, 2021-05-22)
Field: Materials Science — Materials Chemistry

206,207Pb(p,xn) Reaksiyonu Tesir Kesiti Hesaplamalarına Seviye Yoğunluğu Modellerinin Etkilerinin İncelenmesi Bu çalışmada 206Pb(p,2n)205Bi, 206Pb(p,3n)204Bi, 206Pb(p,5n)202Bi, 207Pb(p,2n)206Bi ve 207Pb(p,3n)205Bi reaksiyon tesir kesitleri TALYS 1.95 kodu ile hesaplanmıştır. Hesaplamalar için Geometri Bağımlı Hibrit Model TALYS 1.95 içerisine gömülmüş ve denge-öncesi model olarak kullanılmıştır. Sabit Sıcaklık Fermi Gaz Model (Constant Temperature Fermi Gas Model-CTFGM), Geri Kaydırmalı Fermi Gaz Model (Back Shifted Fermi Gas Model-BSFGM) ve Genelleştirilmiş Süper Akışkan Modelleri (Generalised Super Fluid Model-GSM) seviye yoğunluğu modelleri olarak seçilmiştir. Hesaplanan tesir kesitleri literatürden alınan deneysel verilerle karşılaştırılmıştır. Seviye yoğunluğu modellerinin reaksiyon tesir kesiti hesaplamaları üzerine etkisini araştırmak için, BSFGM ve GSM tesir kesiti hesaplamaları, CTFGM hesaplamalarına normalize edilmiştir. Sonuç olarak; seviye yoğunluğu modellerinin bu çalışmada incelenen tesir kesiti hesaplamaları üzerinde %40 oranında etkili olduğu bulunmuştur. Physics ; Chemistry Nuclear Materials and Properties ; Nuclear reactor physics and engineering ; Chemical Thermodynamics and Molecular Structure
Authors: M. Meier | Paul A.J. Bagot | Michael P. Moody | Daniel Haley
Source: Microscopy and Microanalysis (article, 2021-07-30)
Field: Materials Science — Materials Chemistry

Inter-Experiment Machine Learning on APT experiments: New Insights from Meta-Analysis Atom Probe Tomography (APT) is a rapidly expanding field, with many new research groups being established. We estimate that the number of APT experiments that have been conducted worldwide now well exceeds 1 million. Computer science ; Content (measure theory) ; Action (physics) ; Artificial intelligence ; Mathematics ; Physics Machine Learning in Materials Science ; Advanced Materials Characterization Techniques ; Meta-analysis and systematic reviews
Authors: Simone Venturi | Tiernan Casey | Wei Yang | Igor Kaganovich
Source:  (article, 2021-10-01)
Field: Chemistry — Spectroscopy

Chemical Model Reduction for Negative Hydrogen Ion Density Predictions Using Global Sensitivity Analysis. Abstract not provided. Sensitivity (control systems) ; Reduction (mathematics) ; Hydrogen ; Ion ; Hydrogen ion ; Materials science ; Computer science ; Chemistry ; Electronic engineering ; Engineering ; Mathematics Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Advanced Chemical Sensor Technologies
Authors: Jaime Klapp | C. Fierro | Leonardo Di G. Sigalotti | Isidoro Gitler
Source:  (article, 2021-01-01)
Field: Chemistry — Analytical Chemistry

Design of an Artificial Neural Network for the Analysis of Stellar Spectra We have developed an artificial neural network, whose purpose is to automatically find in a database of synthetic stellar spectra the one which best reproduces an observed spectrum. Using the equivalent widths of selected spectral lines, the network fits a set of lines related to the physical parameters in the stellar atmosphere (i.e., temperature, gravity and mass loss rate). The main advantage of this approach is its scalability. Artificial neural network ; Spectral line ; Scalability ; Computer science ; Set (abstract data type) ; Mass spectrum ; Astrophysics ; Stellar atmosphere ; Artificial intelligence ; Pattern recognition (psychology) ; Physics ; Astronomy ; Mass spectrometry ; Database Spectroscopy and Chemometric Analyses
Authors: N.D. Chyhyryk | I.R. Vykhopenʹ
Source: Scientific news of Dahl university (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Monitoring system of technical condition electric equipment on traction rolling stock .., . Traction (geology) ; Automotive engineering ; Stock (firearms) ; Electric traction ; Traction substation ; Traction motor ; Engineering ; Computer science ; Mechanical engineering ; Electrical engineering ; Voltage ; Transformer Advanced Materials and Semiconductor Technologies ; Thermography and Photoacoustic Techniques ; Engineering Diagnostics and Reliability
Authors: Vladimir Lapin | Erken S. Aldakhov | Syrymgaly Erzhanov | Seric Aldakhov
Source: Civil Engineering and Architecture (article, 2021-12-01)
Field: Materials Science — Materials Chemistry

Failure Risk for Frame Buildings by Certification Results: Probability Assessment In many situations, the level of safety is established by following the guidelines set forth in rules or regulations. Engineers are accountable for giving quantitative estimates for different factors, particularly failure cost, when extra information is available, such as the owner's needs. By order of the Akimat of the city of Almaty, within 2017-2018, for the first time, a full certification of the housing stock of apartment buildings was carried out. 1847 multi-story frame buildings of various stories entered into the database. Based on the certification results, for the first time, quantitative estimates of the values of the probability of failure and reliability were obtained for frame buildings of various types. The recurrence of earthquakes is taken into account by the current Certification ; Frame (networking) ; Risk assessment ; Forensic engineering ; Engineering ; Architectural engineering ; Reliability engineering ; Construction engineering ; Computer science ; Risk analysis (engineering) ; Business ; Mechanical engineering ; Computer security ; Political science Structural mechanics and materials ; Construction Management and Sustainability
Authors: Arpitha Shankar
Source: Preprints.org (preprint, 2021-11-22)
Field: Chemistry — Inorganic Chemistry

Genomic Designing of Climate Smart Turmeric Turmeric is highly tolerant to several climatic changes and can grow under high temperatures and moderate drought conditions. This herb is very much dependant on optimum rainfall, optimum heat with less chilling or freezing conditions. These conditions if are more than normal would tend to reduce the yields of the crops and also effect the productivity. To reduce such drastic yield losses certain conventional plant breeding methods were employed but were very less effective compared to plant biotechnology. To reduce these loses by stresses, extensive and effective molecular biology methods were employed which identifies the genes that are stress responsive along with certain methods like gene transfer, genetic engineering was also known to be effective. All these methods are quite helpful in mitigating the yield losses and promoting healthy growth in the plants. The maintenance of rhizome size, curcumin content, essential oils etc. is very much necessary for the turmeric crop because of its role, especially in the medical field. Therefore, the yield losses are reduced to a maximum extent so that development of smart turmeric is easy and crop designing is possible only with the advanced techniques involved in agriculture biotechnology. Biotechnology ; Crop ; Yield (engineering) ; Agriculture ; Productivity ; Curcumin ; Agricultural engineering ; Gene transfer ; Crop yield ; Crop productivity ; Biology ; Agronomy ; Environmental science ; Gene ; Materials science ; Engineering ; Ecology ; Genetics Coconut Research and Applications ; Plant Genetic and Mutation Studies
Authors: Yang Yang | Yanrong Yang | Han Lin Shang
Source: arXiv (Cornell University) (preprint, 2021-06-02)
Field: Chemistry — Analytical Chemistry

Feature Extraction for Functional Time Series: Theory and Application to NIR Spectroscopy Data We propose a novel method to extract global and local features of functional time series. The global features concerning the dominant modes of variation over the entire function domain, and local features of function variations over particular short intervals within function domain, are both important in functional data analysis. Functional principal component analysis (FPCA), though a key feature extraction tool, only focus on capturing the dominant global features, neglecting highly localized features. We introduce a FPCA-BTW method that initially extracts global features of functional data via FPCA, and then extracts local features by block thresholding of wavelet (BTW) coefficients. Using Monte Carlo simulations, along with an empirical application on near-infrared spectroscopy data of wood panels, we illustrate that the proposed method outperforms competing methods including FPCA and sparse FPCA in the estimation functional processes. Moreover, extracted local features inheriting serial dependence of the original functional time series contribute to more accurate forecasts. Finally, we develop asymptotic properties of FPCA-BTW estimators, discovering the interaction between convergence rates of global and local features. Functional principal component analysis ; Computer science ; Thresholding ; Estimator ; Pattern recognition (psychology) ; Series (stratigraphy) ; Feature (linguistics) ; Principal component analysis ; Artificial intelligence ; Feature extraction ; Wavelet ; Function (biology) ; Data mining ; Mathematics ; Statistics Spectroscopy and Chemometric Analyses ; Time Series Analysis and Forecasting ; Statistical and numerical algorithms
Authors: Congo Tak‐Shing Ching | Chien‐Kai Wang | Chin Li | Hsuan-Ni Chiu | Nguyễn Văn Hiệu | Thien Luan Phan
Source: Research Square (preprint, 2021-11-12)
Field: Materials Science — Biomaterials

A Pioneer Study on a Non-invasive Method for in Ovo Chicken Egg Sexing. Abstract Background: Day-old male chicks culling is one of the world most inhumane problems in the poultry industry. Every year, seven billions of male chicks are being killed in laying-hen hatcheries, due to their higher feed exchange rate, lower management compare to female ones and production costs. This work reports a novel non-invasive method for the gender identification of chicken eggs. Four electrodes were attached onto each egg during the incubation process for the data gathering period of fourteen days. Standard polymerase chain reaction (PCR) based chicken gender determination protocol was applied to the eggs on the last day of the incubation process to get the gender information. Result: A relationship between the collected data and the gender of the egg was built, and it was found to have a reliable connection, indicating that by measure the impedance data of the eggs from day 9 of incubation with the four electrodes setting and applying the self-normalization technique, we can determine the chicken egg gender. Conclusion: This is a pioneer founding, proving that impedance spectroscopy can be use to sexing of chicken eggs, before its life has been formed, relieving the poultry industry from such an ethical burden. Sexing ; In ovo ; Biology ; Zoology ; Fishery ; Embryo Silk-based biomaterials and applications ; Animal Genetics and Reproduction ; Livestock and Poultry Management
Authors: Ming Song | Mingxia Shuai | Wenchun Jiang | DU Chuansheng | Bingying Wang
Source: Journal of Mechanical Engineering (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Evaluating Mechanical Properties of Brazed Seal Joint of Planar Solid Oxide Fuel Cell by Small Punch Test Brazing ; Materials science ; Joint (building) ; Seal (emblem) ; Solid oxide fuel cell ; Oxide ; Fuel cells ; Planar ; Composite material ; Metallurgy ; Structural engineering ; Engineering ; Chemical engineering ; Chemistry ; Computer science ; Alloy Nuclear Materials and Properties
Authors: Ananya Anurag Anand
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2021-10-03)
Field: Chemistry — Organic Chemistry

A COMPARITIVE STUDY ON DIFFERENT METHODS USED FOR BUILDING 3-DIMENSIONAL MODELS OF PROTEIN The concept of protein modelling or building of three-dimensional models of proteins using various methods is increasingly gaining sight of the researchers because of the various benefits derived from it that include not only identifying the type but also the function of the protein based on the model predicted. There are two types of methods, template-based methods and non-template-based methods used for modelling the protein structure using various logics. These include homology modelling, threading and ab-initio methods. The ab-initio method is template-independent unlike the other two methods which are templatebased. Here, all the three methods have been reviewed in detail and to the best of the knowledge so as to provide better insight into the type of method we must use as per our requirement. Computer science ; Artificial intelligence Advanced Polymer Synthesis and Characterization
Authors: Daniele Nazzari | Jakob Genser | Viktoria Ritter | Ole Bethge | E. Bertagnolli | Georg Ramer | Bernhard Lendl | Kenji Watanabe | Takashi Taniguchi | Riccardo Rurali | Miroslav Kolı́bal | Alois Lugstein
Source: DIGITAL.CSIC (Spanish National Research Council (CSIC)) (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Highly Biaxially Strained Silicene on Au(111) Many of graphene’s remarkable properties arise from its linear dispersion of the electronic states, forming a Dirac cone at the K points of the Brillouin zone. Silicene, the 2D allotrope of silicon, is also predicted to show a similar electronic band structure, with the addition of a tunable bandgap, induced by spin–orbit coupling. Because of these outstanding electronic properties, silicene is considered as a promising building block for next-generation electronic devices. Recently, it has been shown that silicene grown on Au(111) still possesses a Dirac cone, despite the interaction with the substrate. Here, to fully characterize the structure of this 2D material, we investigate the vibrational spectrum of a monolayer silicene grown on Au(111) by polarized Raman spectroscopy. To enable a detailed ex situ investigation, we passivated the silicene on Au(111) by encapsulating it under few layers hBN or graphene flakes. The observed spectrum is characterized by vibrational modes that are strongly red-shifted with respect to the ones expected for freestanding silicene. By comparing low-energy electron diffraction (LEED) patterns and Raman results with first-principles calculations, we show that the vibrational modes indicate a highly (&gt;7%) biaxially strained silicene phase. Silicene ; Raman spectroscopy ; Graphene ; Monolayer ; Band gap ; Condensed matter physics ; Brillouin zone ; Chemistry ; Photoemission spectroscopy ; Electron diffraction ; Silicon ; Electronic structure ; Chemical physics ; Materials science ; Nanotechnology ; Optoelectronics ; Diffraction ; Computational chemistry ; Physics ; Optics ; Spectral line Graphene research and applications ; Topological Materials and Phenomena ; Quantum and electron transport phenomena