Results 81 to 90 of about 104 (104)

Automatic Determination of Quasicrystalline Patterns from Microscopy Images

Advanced Intelligent Discovery, EarlyView.
This work introduces a user‐friendly machine learning tool to automatically extract and visualize quasicrystalline tiling patterns from atomically resolved microscopy images. It uses feature clustering, nearest‐neighbor analysis, and support vector machines. The method is broadly applicable to various quasicrystalline systems and is released as part of
Tano Kim Kender, Marco Corrias, Cesare Franchini   +2 more
wiley   +1 more source

opXRD: Open Experimental Powder X‐Ray Diffraction Database

Advanced Intelligent Discovery, EarlyView.
We introduce the Open Experimental Powder X‐ray Diffraction Database, the largest openly accessible collection of experimental powder diffractograms, comprising over 92,000 patterns collected across diverse material classes and experimental setups. Our ongoing effort aims to guide machine learning research toward fully automated analysis of pXRD data ...
Daniel Hollarek, Henrik Schopmans, Jona Östreicher, Jonas Teufel, Bin Cao, Adie Alwen, Simon Schweidler, Mriganka Singh, Tim Kodalle, Hanlin Hu, Gregoire Heymans, Maged Abdelsamie, Arthur Hardiagon, Alexander Wieczorek, Siarhei Zhuk, Ruth Schwaiger, Sebastian Siol, François‐Xavier Coudert, Moritz Wolf, Carolin M. Sutter‐Fella, Ben Breitung, Andrea M. Hodge, Tong‐yi Zhang, Pascal Friederich   +23 more
wiley   +1 more source

A Machine Learning Perspective on the Brønsted–Evans–Polanyi Relation in Water‐Gas Shift Catalysis on MXenes

Advanced Intelligent Discovery, EarlyView.
Machine learning predicts activation energies for key steps in the water‐gas shift reaction on 92 MXenes. Random Forest is identified as the most accurate model. Reaction energy and reactant LogP emerge as key descriptors. The approach provides a predictive framework for catalyst design, grounded in density functional theory data and validated through ...
Kais Iben Nassar, Tiago L. P. Galvão, José D. Gouveia, José R. B. Gomes   +3 more
wiley   +1 more source

Application of Neural Networks for Advanced Ir Spectroscopy Characterization of Ceria Catalysts Surfaces

Advanced Intelligent Discovery, EarlyView.
A novel convolutional neural network architecture enables rapid, unsupervised analysis of IR spectroscopic data from DRIFTS and IRRAS. By combining synthetic data generation with parallel convolutional layers and advanced regularization, the model accurately resolves spectral features of adsorbed CO, offering real‐time insights into ceria surface ...
Mehrdad Jalali, Lachlan Caulfield, Eric Sauter, Alexei Nefedov, Chengwu Yang, Christof Wöll   +5 more
wiley   +1 more source

Machine Learning‐Assisted Infectious Disease Detection in Low‐Income Areas: Toward Rapid Triage of Dengue and Zika Virus Using Open‐Source Hardware

Advanced Intelligent Discovery, EarlyView.
This study introduces an affordable machine learning platform for simultaneous dengue and zika detection using fluorine‐doped tin oxide thin films modified with gold nanoparticles and DNA aptamers. Designed for low‐cost, hardware‐limited devices (< $25), the model achieves 95.3% accuracy and uses only 9.4 kB of RAM, demonstrating viability for resource‐
Marina Ribeiro Batistuti Sawazaki, Bassam Bachour Junior, Marcelo Mulato, José Ilton de Oliveira Filho   +3 more
wiley   +1 more source

Bayesian Optimization Guiding the Experimental Mapping of the Pareto Front of Mechanical and Flame‐Retardant Properties in Polyamide Nanocomposites

Advanced Intelligent Discovery, EarlyView.
Bayesian optimization enabled the design of PA56 system with just 8 wt% additives, achieving limiting oxygen index 30.5%, tensile strength 80.9 MPa, and UL‐94 V‐0 rating. Without prior knowledge, the algorithm uncovered synergistic effects between aluminum diethyl‐phosphinate and nanoclay.
Burcu Ozdemir, Miguel Hernández‐del‐Valle, Christina Schenk, De‐Yi Wang, Maciej Haranczyk   +4 more
wiley   +1 more source

Macrophage Phenotype Detection Methodology on Textured Surfaces via Nuclear Morphology Using Machine Learning

Advanced Intelligent Discovery, EarlyView.
A novel machine learning approach classifies macrophage phenotypes with up to 98% accuracy using only nuclear morphology from DAPI‐stained images. Bypassing traditional surface markers, the method proves robust even on complex textured biomaterial surfaces. It offers a simpler, faster alternative for studying macrophage behavior in various experimental
Oleh Mezhenskyi, Kateryna Andriienkova, Tetyana Goldanova, Ezgi Antmen, Thibaut Soubrie, Nihal Engin Vrana   +5 more
wiley   +1 more source

Artificial Intelligence‐Driven Insights into Electrospinning: Machine Learning Models to Predict Cotton‐Wool‐Like Structure of Electrospun Fibers

Advanced Intelligent Discovery, EarlyView.
Electrospinning allows the fabrication of fibrous 3D cotton‐wool‐like scaffolds for tissue engineering. Optimizing this process traditionally relies on trial‐and‐error approaches, and artificial intelligence (AI)‐based tools can support it, with the prediction of fiber properties. This work uses machine learning to classify and predict the structure of
Paolo D’Elia, Giovanna Pappalardo, Aldo R. Boccaccini, Liliana Liverani   +3 more
wiley   +1 more source

Accelerating Surface Composition Characterization of Thin‐Film Materials Libraries Using Multi‐Output Gaussian Process Regression

Advanced Intelligent Discovery, EarlyView.
To integrate surface analysis into materials discovery workflows, Gaussian process regression is used to accurately predict surface compositions from rapidly acquired volume composition data (obtained by energy‐dispersive X‐ray spectroscopy), drastically reducing the number of required surface measurements on thin‐film materials libraries.
Felix Thelen, Florian Lourens, Alfred Ludwig   +2 more
wiley   +1 more source

CrossMatAgent: AI‐Assisted Design of Manufacturable Metamaterial Patterns via Multi‐Agent Generative Framework

Advanced Intelligent Discovery, EarlyView.
CrossMatAgent is a multi‐agent framework that combines large language models and diffusion‐based generative AI to automate metamaterial design. By coordinating task‐specific agents—such as describer, architect, and builder—it transforms user‐provided image prompts into high‐fidelity, printable lattice patterns.
Jie Tian, Martin Taylor Sobczak, Dhanush Patil, Jixin Hou, Lin Pang, Arunachalam Ramanathan, Libin Yang, Xianyan Chen, Yuval Golan, Xiaoming Zhai, Hongyue Sun, Kenan Song, Xianqiao Wang   +12 more
wiley   +1 more source