Results 221 to 230 of about 1,532,152 (301)

Learning Work Function via Implicit Reasoning on Electrostatic Potential Landscapes

open access: yesAdvanced Science, EarlyView.
StructPot‐CLR establishes a cross‐modal contrastive learning framework that aligns the crystal structures of 2D materials with plane‐averaged electrostatic potential landscapes for physically informed work‐function prediction. The model achieves an MAE of 0.265 eV and an R2 of 0.902 on the held‐out test set while accurately preserving key morphological
Haoyu Wan, Yue Wu, Tianhao Su, Deng Pan
wiley   +1 more source

A Site‐Aware Representation Learning Framework For Unified Molecular Interaction Modeling and Generative Design

open access: yesAdvanced Science, EarlyView.
MolDBG is a site‐aware, sequence‐only framework that unifies drug‐target affinity prediction, binding‐site identification, and affinity‐conditioned molecular generation for structured proteins. Guided by multi‐task binding‐site supervision, it aligns interaction‐critical residues before learning drug‐target representations and simultaneously infers ...
Gang Luo   +6 more
wiley   +1 more source

3D brain tumor segmentation using an improved V-Net architecture and 3D attention gate. [PDF]

open access: yesNeuroimage Rep
Esmaeilzadeh Asl S   +2 more
europepmc   +1 more source

STWave: Fine‐Scale Spatial Structure Discovery in Microscopic‐Resolution Spatial Transcriptomics via Patchwise Wavelet Graphs

open access: yesAdvanced Science, EarlyView.
STWave transforms massive microscopic‐resolution spatial transcriptomics into interpretable fine‐scale tissue maps through patch‐wise inference, wavelet‐based multi‐scale encoding, and dual‐domain reconstruction. It reduces noise while preserving weak spatial signals, enabling efficient analysis of 6 40 000 spots of 2.47 GB GPU memory and revealing ...
Tao Jiang   +9 more
wiley   +1 more source

Gate‐Tunable Polarity‐Reconfigurable Photovoltaic Response With Dual Linearity in NbS3/WSe2 Heterostructures for In‐Sensor Image Processing

open access: yesAdvanced Science, EarlyView.
An NbS3/WSe2 van der Waals heterostructure realizes a continuously gate‐tunable self‐powered photovoltaic response through interfacial band‐alignment modulation and reversible built‐in electric‐field switching. The short‐circuit photocurrent scales linearly with incident power density, while short‐circuit photoresponsivity varies linearly with gate ...
Jidong Liu   +9 more
wiley   +1 more source

NICE: A Two‐Step Non‐Invasive Framework for Embryo cfDNA Read Enrichment and Quality Assessment

open access: yesAdvanced Science, EarlyView.
The non‐invasive NICE framework, built on an ensemble stacking machine learning model, prioritizes embryos by analyzing cell‐free DNA from spent culture medium. By integrating multimodal signals, including genomic and epigenetic profiles, this automated approach standardizes morphological assessment without human bias, paving the way for more precise ...
Xueya Zhou   +6 more
wiley   +1 more source

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