Results 121 to 130 of about 13,945 (266)

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

open access: yesAdvanced 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   +8 more
wiley   +1 more source

Nostalgia del mainframe

open access: yes, 2007
Postprint (author's final draft)
openaire   +1 more source

Information Technology and Russia's Social Modernization [PDF]

open access: yes
Information technologies play a very important role in modernizing Russia's economy and society as whole. Its competitive advantage lies in the availability of highly educated labour resources.
Petukhova, Svetlana   +1 more
core  

Gaussian Process Regression–Neural Network Hybrid with Optimized Redundant Coordinates: A New Simple Yet Potent Tool for Scientist's Machine Learning Toolbox

open access: yesAdvanced Intelligent Discovery, EarlyView.
A machine learning method, opt‐GPRNN, is presented that combines the advantages of neural networks and kernel regressions. It is based on additive GPR in optimized redundant coordinates and allows building a representation of the target with a small number of terms while avoiding overfitting when the number of terms is larger than optimal.
Sergei Manzhos, Manabu Ihara
wiley   +1 more source

Revealing Protein–Protein Interactions Using a Graph Theory‐Augmented Deep Learning Approach

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study presents a fast, cost‐efficient approach for classifying protein–protein interactions by integrating graph‐theory parametrization with deep learning (DL). Multiscale features extracted from graph‐encoded polarized‐light microscopy (PLM) images enable accurate prediction of binding strengths.
Bahar Dadfar   +5 more
wiley   +1 more source

Overcoming the Nyquist Limit in Molecular Hyperspectral Imaging by Reinforcement Learning

open access: yesAdvanced Intelligent Discovery, EarlyView.
Explorative spectral acquisition guide automatically selects informative spectral bands to optimize downstream tasks, outperforming full‐spectrum acquisition. The selected hyperspectral data are used for tasks such as unmixing and segmentation. BandOptiNet encodes selection states and outputs optimal bands to guide spectral acquisition. Recent advances
Xiaobin Tang   +4 more
wiley   +1 more source

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