Results 181 to 190 of about 10,989 (259)

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Holographic Mapping of Orbital Angular Momentum using a Terahertz Diffractive Optical Neural Network

Advanced Intelligent Discovery, EarlyView.
A compact six‐layer diffractive optical neural network enables direct recognition and spatial mapping of terahertz (THz) orbital angular momentum (OAM) beams. Fabricated by 3D printing, the system distinguishes nine OAM modes and their superpositions with high fidelity, good efficiency, and low crosstalk, offering a scalable solution for THz ...
Wei Jia, Miguel Gomez, Steve Blair, Berardi Sensale‐Rodriguez   +3 more
wiley   +1 more source

Editorial: The dynamics in global malnutrition uncovered. [PDF]

Front Public Health
Obasohan PE, Mensah JP, Akparibo R.
europepmc   +1 more source

AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes

Advanced Intelligent Discovery, EarlyView.
To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song, Xinmin Li, Hongbo Yu, Le Xiong, Guixia Liu, Weihua Li, Yun Tang   +6 more
wiley   +1 more source

A Multidimensional Approach to Measure Structural Racism and Its Association with Fatal and Nonfatal Community Firearm Violence at the Census Tract Level in New York City. [PDF]

J Urban Health
Adams LL, Musci RJ, Jones V, Crifasi CK.
europepmc   +1 more source

Crystal Structure Prediction of Inorganic Materials: A Benchmark and Modern Evaluation

Advanced Intelligent Discovery, EarlyView.
Predicting a crystal’s structure from composition alone is a long‐standing challenge in materials discovery. The CSP180 benchmark of 180 inorganic crystals evaluates thirteen crystal structure prediction algorithms requiring no density functional theory (DFT) against DFT‐based baselines across twelve metrics.
Lai Wei, Sadman Sadeed Omee, Rongzhi Dong, Nihang Fu, Yuqi Song, Edirisuriya M. Dilanga Siriwardane, Meiling Xu, Ming Hu, Chris Wolverton, Jianjun Hu   +9 more
wiley   +1 more source

Spatial Distribution and Determinants of Fertility in India. [PDF]

Indian J Community Med
Deshmukh P, Ramasamy N, Yadav P, Bahurupi Y.   +3 more
europepmc   +1 more source

Integration of Liquid Handling Robotics, Turbidimetry, and Machine Learning Toward Inverse Design of Lower Critical Solution Temperature Polymer Formulations

Advanced Intelligent Systems, EarlyView.
An integrated OT‐2/plate reader platform automates LCST cloud point measurement of NIPAM‐co‐DMAEMA copolymers across high‐dimensional formulation spaces. Machine learning trained on the resulting high‐throughput datasets achieves R2 up to 0.96 and enables inverse design of polymer formulations to target transition temperatures with <1% error.
Lachlan Alexander, Vianna F. Jafari, Tanja Junkers   +2 more
wiley   +1 more source

Multidimensional poverty in Scotland and health across adulthood-the paradoxical associations with food, fuel, and financial insecurity in later life. [PDF]

Eur J Public Health
Champagne SN, Phimister E, Guntupalli AM.   +2 more
europepmc   +1 more source

SFMFNet: Spatial‐Frequency Multiscale Fusion Network for Left Ventricle Segmentation in Echocardiography

Advanced Intelligent Systems, EarlyView.
Automatic left ventricular segmentation in echocardiography is critical for cardiac function assessment but remains challenging due to limited crossdomain feature interaction. This paper proposes SFMFNet, a Spatial‐Frequency Multi‐Scale Fusion Network that integrates multiscale convolution, wavelet transform, and Fourier transform.
Dang Li, Patrick Pang, Chi‐Kin Lam, Tao Tan   +3 more
wiley   +1 more source