Results 221 to 230 of about 5,698,498 (295)

Catalyst‐Specialized Chemical Language Model Based on Transformer Variational Autoencoder for Catalyst Design and Discovery

open access: yesAdvanced Intelligent Discovery, EarlyView.
We present CatTransVAE, a catalyst‐specialized chemical language model (CLM) built on a transformer variational autoencoder (VAE), developed through pretraining on general compounds followed by fine‐tuning on diverse catalyst databases. A template‐guided generation framework is introduced to enable controlled catalyst design under structural ...
Apakorn Kengkanna, Masahito Ohue
wiley   +1 more source

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

open access: yesAdvanced 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   +9 more
wiley   +1 more source

A Review on Recent Trends of Bioinspired Soft Robotics: Actuators, Control Methods, Materials Selection, Sensors, Challenges, and Future Prospects

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
This article reviews the current state of bioinspired soft robotics. The article discusses soft actuators, soft sensors, materials selection, and control methods used in bioinspired soft robotics. It also highlights the challenges and future prospects of this field.
Abhirup Sarker   +2 more
wiley   +1 more source

Attention aware edge-node exchange graph neural network

open access: yesDianxin kexue
An attention aware edge-node exchange graph neural network (AENN) model was proposed, which used edge-node switched convolutional graph neural network method for graph encoding in a graph structured data representation framework for semi supervised ...
Ruiqin WANG   +4 more
doaj  

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