Results 251 to 260 of about 1,222,032 (295)

CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction

Advanced Science, EarlyView.
CLRe uses a contrastive difficulty score to order pretrained seq2seq fine‐tuning for retrosynthesis. Reaction embeddings define the ranking score, and a cumulative easy‐to‐hard schedule expands from the easiest subset to the full training set while earlier examples remain active.
Tianhao Su, Xitao Wang, Musen Li, Guanhua Qin, Shunbo Hu, Tong‐Yi Zhang   +5 more
wiley   +1 more source

Surface Observables, 2-Knot Invariants, and Nonabelian Electric Fluxes. [PDF]

Commun Math Phys
Cattaneo AS.
europepmc   +1 more source

Artificial Intelligence‐Driven Inverse Design of Singlet Fission Candidates in the Acene family

Advanced Science, EarlyView.
In this work, we describe an AI‐driven inverse design platform predicting S1 and T1 energies across acenes with high accuracy. Using Hammett σ constants as descriptors and RNN models coupled with optimization algorithms, it efficiently explores ≈1014 structures, uncovering novel SF candidates from benzene to pentacene. Freely accessible at https://alba.
Rafael G. Uceda, Boris Pérez‐Cañedo, Sandra Míguez‐Lago, Carlos M. Cruz, Joaquín J. Torres, Omar Núñez, Luis Álvarez de Cienfuegos, Antonio J. Mota, Delia Miguel, Juan M. Cuerva   +9 more
wiley   +1 more source

Curvature-guided anisotropic noise injection for robust multimodal data processing in neuroscience and perception science. [PDF]

Front Neurosci
Wu Y, Liu H.
europepmc   +1 more source

Flat Bands Induced by Non‐Collinear Antiferromagnetism in CoBi2Te4

Advanced Science, EarlyView.
Flat bands emerge at the edges of intrinsically non‐collinear antiferromagnetic CoBi2Te4 two‐septuple layers through the interplay of spin–orbit coupling–driven band inversion and non‐collinear antiferromagnetism, uncovering a previously unexplored mechanism for flat‐band formation and opening new opportunities for strongly correlated quantum states ...
Ziyuan Zhao, Yuefeng Yin, Jinxing Gu, Mark T. Edmonds, Nikhil V. Medhekar   +4 more
wiley   +1 more source

A New Feature Set for Texture-Based Classification of Remotely Sensed Images in a Quantum Framework. [PDF]

J Imaging
Pai AG, Chhapariya K, Buddhiraju KM, Durbha SS.   +3 more
europepmc   +1 more source

Phantom-Free Geometric Refinement for Industrial CBCT Using Physical Constraints and a Normalized Low-Rank Projection Prior. [PDF]

Sensors (Basel)
Sun Y, Bian X, Konyakhin IA, Cui J.
europepmc   +1 more source

Quantifying the Advantage of Vector over Scalar Magnetic Sensor Networks for Undersea Surveillance. [PDF]

Sensors (Basel)
Li W, Wang X, Sun Q, Kealy AN, Greentree AD.   +4 more
europepmc   +1 more source

An Impact Load History Reconstruction Method for Composite Structures Based on FBG Sensing Data and the GCV Principle. [PDF]

Sensors (Basel)
Zeng J, Xu J, Xu Y, Zhao X, Wang S, Zhou Y, Wang Y.   +6 more
europepmc   +1 more source

Parameter Estimation of Microkinetic Models for Heterogeneous Catalysis. [PDF]

Ind Eng Chem Res
Ahmed MGT, Nath Roy B, Hasan MMF.
europepmc   +1 more source