Results 161 to 170 of about 113,020 (264)

MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design

Advanced Intelligent Discovery, EarlyView.
MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa, Tejs Vegge, Jes Frellsen   +2 more
wiley   +1 more source

Comparing implicit boundary and hierarchical plurigaussian simulation for modeling geological domains using hard and soft data. [PDF]

Sci Rep
Veliz V, Plaza-Carvajal J, Maleki M, Navarro F, Campos E, Emery X.   +5 more
europepmc   +1 more source

Multimodal Learning with Rashomon Analysis for Battery Discharge Capacity Prediction

Advanced Intelligent Discovery, EarlyView.
Multimodal fusion integrates composition, crystal‐structure, and radial‐distribution descriptors to predict battery discharge capacity. Rashomon analysis across near‐optimal models reveals that explanatory variation is structured rather than arbitrary, separating stable mechanistic signals from model‐contingent attributions and providing a more ...
Jue Gong, Lejia Wang, Tianqing Zhu, Keith Butler, Sichao Li   +4 more
wiley   +1 more source

From information to action- a phase-based analysis of patient engagement in inpatient fall prevention: A scoping review. [PDF]

Int J Nurs Stud Adv
Nishihara S, Satoh M, Iijima Y, Katoh M, Shimmura H, Kawahara R, Shimazawa N.   +6 more
europepmc   +1 more source

Materials Representation Learning Based on a Material–Motif Network and Heterogeneous Graphs

Advanced Intelligent Discovery, EarlyView.
Structure motifs in materials are used to construct a bipartite material–motif network that links each material to its constituent motifs and establishes connectivity among materials sharing common motifs. Network analysis reveals material clusters associated with different functional applications and supports motif‐guided screening of materials.
Anoj Aryal, Weiyi Gong, Huta Banjade, Qimin Yan   +3 more
wiley   +1 more source

How individuals formulate their beliefs about chronic musculoskeletal pain: introducing the dual implicit-explicit processing (DIP) model of pain belief formation - a qualitative exploration. [PDF]

BMC Musculoskelet Disord
Dunn M, Rushton AB, Heneghan NR, Soundy A.   +3 more
europepmc   +1 more source

Data‐Efficient Cycle‐Level Capacity Prediction Using 1D Deep Convolutional Network

Advanced Intelligent Discovery, EarlyView.
We introduce DeepBat, a deep learning framework featuring a 1D convolutional backbone designed to extract latent degradation patterns from a microstructurally diverse electrode dataset. By learning complex formulation–performance relationships, the model accurately predicts long‐term specific discharge capacity using limited early‐cycle data, providing
Tao Huang, Bing Sun, Zhigang Chen, Chenyu Zhao, Eugene Bakker, Yaojie Lei, Lingfei Zhao, Shijian Wang, Chao Liu, Virginia Xiaojun He, Bahram Shirzadi, Hao Liu, Xin Xi, Ruiliu Liu, Dongqing Wu, Guodong Long, Guoxiu Wang   +16 more
wiley   +1 more source

Reconciling the Formal and Hidden Curricula in General Practice Training. [PDF]

J CME
Munro R.
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

Theatre-Neuroscience: a brief perspective on the use of neuroscientific techniques to measure interpersonal coordination and the sense of self in theatrical contexts. [PDF]

Oxf Open Neurosci
Greaves DA.
europepmc   +1 more source