Results 121 to 130 of about 149,306 (281)

Learned Conformational Space and Pharmacophore Into Molecular Foundational Model

Advanced Science, EarlyView.
The Ouroboros model introduces two orthogonal modules within a unified framework that independently learn molecular representations and generate chemical structures. This design enables flexible optimization strategies for each module and faithful structure reconstruction without prompts or noise.
Lin Wang, Yifan Wu, Hao Luo, Minglong Liang, Yihang Zhou, Cheng Chen, Chris Liu, Jun Zhang, Yang Zhang   +8 more
wiley   +1 more source

Mapping Charge Interactions in Intrinsically Disordered Proteins

Advanced Science, EarlyView.
This study presents analytical models to predict intrachain distances in intrinsically disordered proteins (IDPs), accounting for charge patterning, salt concentration, and electrostatic effects. Validated against single‐molecule FRET data, a minimal‐parameter polymer model is identified that captures key interactions and chain dimensions. These models
Michael Phillips, Andrea Holla, Magdalena Wojtas, Aritra Chowdhury, Andrea Sottini, Sebastian L. B. König, Natalie Mutter, Nick Lamb, Jonathan Huihui, Monika Lopko, Andrea Soranno, Daniel Nettels, Andrzej Ożyhar, Benjamin Schuler, Kingshuk Ghosh   +14 more
wiley   +1 more source

Enhanced natural parameterized quantum circuit

Physical Review Research
The classical-quantum interface for loading classical data into quantum systems is an indispensable component of quantum information processing, and the parameterized quantum circuit (PQC) represents significant methodology in this area.
Yuquan Chen, Yanjun Hou, Zeyuan Wang, Tianyun Wang, Ze Wu, Zhaokai Li, Xinhua Peng   +6 more
doaj   +1 more source

Ga Doping Enables Precision Alloy‐to‐Wire Regulation: Synergistic Enhancement of the Mechanical Properties of CuSn Alloy and the Superconducting Properties of Nb3Sn

Advanced Science, EarlyView.
By adjusting Ga's doping in Cu–Sn alloy, an ultra‐high elongation of 100.8% is achieved in first time. Ga forms a stable solid solution structure and a stronger electron exchange with Cu. This enhances strength‐ductility synergistically by tuning SFE to balance twinning and slip.
Dazhuo Song, Juntao Zou, Jiayue Zhang, Xinhang Liang, Mengyu Shan, Yifan Liu, Jingqi Feng, Tong Dang, Lin Shi, Yuxuan Wang, Yuchen Song, Rong Fei, Shaodong Sun, Zhe Zhang, Lei Zhu, Lixing Sun   +15 more
wiley   +1 more source

Quantum Computing Meets Deep Learning: A QCNN Model for Accurate and Efficient Image Classification

Mathematics
In deep learning, Convolutional Neural Networks (CNNs) serve as fundamental models, leveraging the correlational structure of data for tasks such as image classification and processing.
Sunil Prajapat, Manish Tomar, Pankaj Kumar, Rajesh Kumar, Athanasios V. Vasilakos   +4 more
doaj   +1 more source

Parameterized Complexity of Paired Domination

The Paired Domination problem is one of the well-studied variants of the classical Dominating Set problem. In a graph G on nvertices, a dominating set D (set of vertices such that N[D] = V (G)) is called a paired dominating set of G, if G[D] has perfect matching. In the Paired Domination problem, given a graph G and a positive integer k, the task is to
Andreev, Nikita, Bliznets, Ivan, Kundu, Madhumita, Saurabh, Saket, Tripathi, Vikash, Verma, Shaily   +5 more
openaire   +2 more sources

S3RL: Enhancing Spatial Single‐Cell Transcriptomics With Separable Representation Learning

Advanced Science, EarlyView.
Separable Spatial Representation Learning (S3RL) is introduced to enhance the reconstruction of spatial transcriptomic landscapes by disentangling spatial structure and gene expression semantics. By integrating multimodal inputs with graph‐based representation learning and hyperspherical prototype modeling, S3RL enables high‐fidelity spatial domain ...
Laiyi Fu, Penglei Wang, Gaoyuan Xu, Jitao Lu, Qinke Peng, Danyang Wu, Hequan Sun   +6 more
wiley   +1 more source

Targeting the GPX4–FUNDC1 Interaction with Magnesium Lithospermate B Attenuates Sepsis‐Associated Lung Injury

Advanced Science, EarlyView.
The diagram depicts the endothelial‐protective mechanism of magnesium lithospermate B (MLB) in sepsis‐associated lung injury. MLB binds GPX4 at Gly79, disrupts its interaction with FUNDC1, prevents mitophagy‐mediated GPX4 degradation, restores mitophagic flux, reduces ROS, and limits ferroptosis.
Zhixi Li, Chang Liu, Zhaoxue Ma, Dongyou Zheng, Renkai Wang, Yongjing Yu, Guangmin Chen, Chenglong Li, Yue Bu, Hang Cao, Bing Zhang   +10 more
wiley   +1 more source

Parameterized complexity of quantum invariants

, 2019
We give a general fixed parameter tractable algorithm to compute quantum invariants of links presented by diagrams, whose complexity is singly exponential in the carving-width (or the tree-width) of the diagram. In particular, we get a $O(N^{\frac{3}{2} \mathrm{cw}} \mathrm{poly}(n))$ time algorithm to compute any Reshetikhin-Turaev invariant---derived
openaire   +5 more sources

Solid Harmonic Wavelet Bispectrum for Image Analysis

Advanced Science, EarlyView.
The Solid Harmonic Wavelet Bispectrum (SHWB), a rotation‐ and translation‐invariant descriptor that captures higher‐order (phase) correlations in signals, is introduced. Combining wavelet scattering, bispectral analysis, and group theory, SHWB achieves interpretable, data‐efficient representations and demonstrates competitive performance across texture,
Alex Brown, Mathilda Avirett‐Mackenzie, Carolin Villforth, Georgios Exarchakis   +3 more
wiley   +1 more source