Results 221 to 230 of about 23,412 (281)

Taguchi–Bayesian Sampling: A Roadmap for Polymer Database Construction Toward Small Representative Machine Learning

Advanced Intelligent Discovery, EarlyView.
This article establishes a Taguchi–Bayesian sampling strategy to reconstruct polymer processing–property landscape at minimal sampling cost, generically building the roadmap for materials database construction from sampling their vast design space. This sampling strategy is featured by an alternating lesson between uniformity and representativeness ...
Han Liu, Liantang Li
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

Automating AI Discovery for Biomedicine Through Knowledge Graphs and Large Language Models Agents

Advanced Intelligent Discovery, EarlyView.
This work proposes a novel framework that automates biomedical discovery by integrating knowledge graphs with multiagent large language models. A biologically aligned graph exploration strategy identifies hidden pathways between biomedical entities, and specialized agents use this pathway to iteratively design AI predictors and wet‐lab validation ...
Naafey Aamer, Muhammad Nabeel Asim, Shan Munir, Andreas Dengel   +3 more
wiley   +1 more source

Data‐Driven High‐Throughput Volume Fraction Estimation From X‐Ray Diffraction Patterns

Advanced Intelligent Discovery, EarlyView.
Long exposure times and the need for manual evaluation limit the use of X‐ray diffraction in high‐throughput applications. This study presents a data‐driven approach addressing both issues. HiVE (a method for High‐throughput Volume fraction Estimation) performs composition estimation for high‐noise XRD patterns produced using polychromatic emission ...
Hawo H. Höfer, André Orth, Robert Wang, Ben Breitung, Simon Schweidler, Jasmin Aghassi‐Hagmann, Markus Reischl   +6 more
wiley   +1 more source

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

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

Advanced Intelligent Discovery, EarlyView.
Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova, Michael Nicholls, Nicola Russo, Gueorgui Mihaylov, Konstantin Nikolic   +4 more
wiley   +1 more source

Interpretability and Representability of Commutative Algebra, Algebraic Topology, and Topological Spectral Theory for Real‐World Data

Advanced Intelligent Discovery, EarlyView.
This article investigates how persistent homology, persistent Laplacians, and persistent commutative algebra reveal complementary geometric, topological, and algebraic invariants or signatures of real‐world data. By analyzing shapes, synthetic complexes, fullerenes, and biomolecules, the article shows how these mathematical frameworks enhance ...
Yiming Ren, Guo‐Wei Wei
wiley   +1 more source

Machine Learning Driven Inverse Design of Broadband Acoustic Superscattering

Advanced Intelligent Discovery, EarlyView.
Multilayer acoustic superscatterers are designed using machine learning to achieve broadband superscattering and strong sound insulation. By incorporating a weighted mean absolute error into the loss function, the forward and inverse neural networks accurately map structural parameters to spectral responses.
Lijuan Fan, Xiangliang Zhang, Ying Wu
wiley   +1 more source

Evaluating Three Foundation Potentials for Predicting Selected Properties of the Co–Ni–Ru Alloy System

Advanced Intelligent Discovery, EarlyView.
Distributions of intrinsic stacking fault energies (ISFE) among different slip planes in the face‐centered cubic Co2Ni2Ru alloy, predicted by three foundation potentials (DPA, Orb, and SevenNet) and density functional theory (DFT) calculations. This study evaluates the efficacy of three foundation potentials (FPs)—SevenNet, DPA, and Orb—in predicting ...
Subah Mubassira, Thu Nguyen, Anvesh Nathani, Shoutian Sun, Ming Hu, Yanqing Su, Bin Wang, Iman Ghamarian, Shuozhi Xu   +8 more
wiley   +1 more source

A Multimodal Intelligent System for Human Digital Twin Simulation with Continuous Kinematic Data Tracking, Biometric Prognosis, and Cognitive State Feedback in Industrial Environments

Advanced Intelligent Discovery, EarlyView.
This article implements a unified human digital twin framework that integrates cutting edge actuation, sensing, simulation, and bidirectional feedback capability. The approach includes integrating multimodal sensing, AI, and biomechanical simulation into one compact system.
Tajbeed Ahmed Chowdhury, Sebastian Gratz‐Kelly, Eric Wagner, Paul Motzki, Martina Lehser   +4 more
wiley   +1 more source