Results 111 to 120 of about 784,032 (267)

Factorization Machine‐Based Active Learning for Functional Materials Design with Optimal Initial Data

Advanced Intelligent Discovery, EarlyView.
This work investigates the optimal initial data size for surrogate‐based active learning in functional material optimization. Using factorization machine (FM)‐based quadratic unconstrained binary optimization (QUBO) surrogates and averaged piecewise linear regression, we show that adequate initial data accelerates convergence, enhances efficiency, and ...
Seongmin Kim, In‐Saeng Suh
wiley   +1 more source

Accelerating Biosensor Discovery: A Computationally‐Driven Pipeline for Microplastics Monitoring

Advanced Intelligent Discovery, EarlyView.
A computationally guided pipeline unites molecular simulation, synthetic biology, electrochemical engineering, and machine learning to accelerate biosensor discovery. A Bacillus anthracis carbohydrate‐binding module is used to develop a high‐performance micro‐ and nanoplastics sensor with greatly reduced error and variability.
Gabriel X. Pereira, Marcos de C. Leite, Pedro H. M. Zanineli, Juliana N. Y. Costa, Débora M. Cunha, Sophia P. Serra, Pedro H. Sophia, Flávio M. Shimizu, Yasmin W. Moura, Célio C. Oliveira, Gabriel R. Schleder, Gabriela F. Persinoti, Leandro Merces, Renato S. Lima   +13 more
wiley   +1 more source

Faster than Hermitian Time Evolution

Symmetry, Integrability and Geometry: Methods and Applications, 2007
For any pair of quantum states, an initial state $|I angle$ and afinal quantum state $|F angle$, in a Hilbert space, there are many Hamiltonians $H$ under which $|I angle$ evolves into $|F angle$.
Carl M. Bender
doaj  

FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

Advanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu, Claire Schlesinger, Karan Mudaliar, Jordan Leung, Robin Walters, Peter Schindler   +5 more
wiley   +1 more source

Advancing Efficient Error Reduction in DNA Data Storage Systems with Deep Learning‐Based Denoising Models

Advanced Intelligent Discovery, EarlyView.
Deep learning‐based denoising models are applied to DNA data storage systems to enhance error reduction and data fidelity. By integrating DnCNN with DNA sequence encoding methods, the study demonstrates significant improvements in image quality and correction of substitution errors, revealing a promising path toward robust and efficient DNA‐based ...
Seongjun Seo, Anshula Tandon, Nguyen Kim Uyen, Quoc Nam Le, Jee‐Hyong Lee, Sung Ha Park   +5 more
wiley   +1 more source

Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers

Advanced Intelligent Discovery, EarlyView.
A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley   +1 more source

Comparison of Sexual Function between Nulliparous with Multiparous Pregnant Women

حیات, 2013
Background & Aim: Pregnancy can conflict with sexual function that can be affected by physical and psychological changes during pregnancy. The aim of this study was to compare sexual functions between nulliparous and multiparous pregnant women referred ...
Kobra Abouzari Gazafroodi, Fatemeh Najafi, Ehsan Kazemnejad, Fatemeh Rahimikian, Mamak Shariat, Parvin Rahnama   +5 more
doaj  

Gaussian Process Regression–Neural Network Hybrid with Optimized Redundant Coordinates: A New Simple Yet Potent Tool for Scientist's Machine Learning Toolbox

Advanced Intelligent Discovery, EarlyView.
A machine learning method, opt‐GPRNN, is presented that combines the advantages of neural networks and kernel regressions. It is based on additive GPR in optimized redundant coordinates and allows building a representation of the target with a small number of terms while avoiding overfitting when the number of terms is larger than optimal.
Sergei Manzhos, Manabu Ihara
wiley   +1 more source

Majority‐Voting Overlapping Method for Error Correction in DNA Data Storage

Advanced Intelligent Discovery, EarlyView.
We propose an overlapping‐based majority‐voting method for DNA data storage error correction. By aligning multiple reads and choosing the most frequent base per position, it suppresses substitution errors without prior models. Validated on synthetic and real sequencing data, it achieves high‐fidelity, scalable, and cost‐effective reconstruction ...
Thi Bich Ngoc Nguyen, Seongjun Seo, Anshula Tandon, Nguyen Kim Uyen, Thi Hong Nhung Vu, Sung Ha Park   +5 more
wiley   +1 more source

Boron‐Doping of a Macrocyclic Tetrafuran Framework Unveils an Expanded Porphyrinoid With Switchable (Anti)Aromaticity and Conformational Dynamics

Angewandte Chemie, EarlyView.
We disclose a novel boron macrocycle derived from the sustainable furan building block. The boraporphyrinoid exhibits a global antiaromatic ring current and dynamic conformational flexibility. Twofold reduction induces a switch to strong global aromaticity, accompanied by stiffening of the porphyrinoid backbone.
Lukas Swoboda, Jonas Klopf, Jonas Bachmann, Ivo Krummenacher, Holger Braunschweig, Bernd Engels, Holger Helten   +6 more
wiley   +2 more sources