Results 81 to 90 of about 47,392 (266)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Feedforward equilibrium trajectory optimization with GSPulse

Nuclear Fusion
One of the common tasks required for designing new plasma scenarios or evaluating capabilities of a tokamak is to design the desired equilibria using a Grad-Shafranov (GS) equilibrium solver.
J.T. Wai, M.D. Boyer, D.J. Battaglia, A. Merle, F. Carpanese, F. Felici, M. Kochan, E. Kolemen   +7 more
doaj   +1 more source

Deep Learning‐Assisted Coherent Raman Scattering Microscopy

Advanced Intelligent Discovery, EarlyView.
The analytical capabilities of coherent Raman scattering microscopy are augmented through deep learning integration. This synergistic paradigm improves fundamental performance via denoising, deconvolution, and hyperspectral unmixing. Concurrently, it enhances downstream image analysis including subcellular localization, virtual staining, and clinical ...
Jianlin Liu, Rujia Liu, Xinyan Zhang, Xun Chen, Shuhua Yue   +4 more
wiley   +1 more source

Accelerating Primary Screening of USP8 Inhibitors from Drug Repurposing Databases with Tree‐Based Machine Learning

Advanced Intelligent Discovery, EarlyView.
This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng, Sharon Ai Er Lam, Wei Chun Lim, Hannah Hui Min Toh, Shi Jun Ang   +4 more
wiley   +1 more source

Smart Flexible Tactile Sensors: Recent Progress in Device Designs, Intelligent Algorithms, and Multidisciplinary Applications

Advanced Intelligent Discovery, EarlyView.
Flexible tactile sensors have considerable potential for broad application in healthcare monitoring, human–machine interfaces, and bioinspired robotics. This review explores recent progress in device design, performance optimization, and intelligent applications. It highlights how AI algorithms enhance environmental adaptability and perception accuracy
Siyuan Wang, Ming Dong, Rongrong Bao, Caofeng Pan   +3 more
wiley   +1 more source

Application of a novel numerical simulation to biochemical reaction systems

Frontiers in Cell and Developmental Biology
Recent advancements in omics and single-cell analysis highlight the necessity of numerical methods for managing the complexity of biological data. This paper introduces a simulation program for biochemical reaction systems based on the natural number ...
Takashi Sato
doaj   +1 more source

Advances in Thermal Modeling and Simulation of Lithium‐Ion Batteries with Machine Learning Approaches

Advanced Intelligent Discovery, EarlyView.
Heat generation in lithium‐ion batteries affects performance, aging, and safety, requiring accurate thermal modeling. Traditional methods face efficiency and adaptability challenges. This article reviews machine learning‐based and hybrid modeling approaches, integrating data and physics to improve parameter estimation and temperature prediction ...
Qi Lin, Kang Fu, Junjie Ding, Kai Sun, Peng Tan   +4 more
wiley   +1 more source

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

Advanced Intelligent Discovery, EarlyView.
Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova, Michael Nicholls, Nicola Russo, Gueorgui Mihaylov, Konstantin Nikolic   +4 more
wiley   +1 more source

Parametric Analysis of Spiking Neurons in 16 nm Fin Field‐Effect Transistor Technology

Advanced Intelligent Discovery, EarlyView.
Energy efficient computing has driven a shift toward brain‐inspired neuromorphic hardware. This study explores the design of three distinct silicon neuron topologies implemented in 16 nm fin field‐Effect transistor technology. While the Axon‐Hillock design achieves gigahertz throughput, its functional fragility persists. The Morris–Lecar model captures
Logan Larsh, Raiyan Siddique, Sarah S. Sharif, Yaser Mike Banad   +3 more
wiley   +1 more source

Large‐Scale Machine Learning to Screen for Small‐Molecule Senolytics

Advanced Intelligent Discovery, EarlyView.
A consistent workflow underpins all experiments in this study. A dedicated model‐selection dataset first identifies optimal hyperparameters for each algorithm. Models are then trained and rigorously evaluated on independent sets of molecules using the senolytic ratio SR. Comprehensive hyperparameter exploration across SMILES representations, task types,
Alexis Dougha, Jesus Gil, Pedro J. Ballester   +2 more
wiley   +1 more source