Results 191 to 200 of about 273,497 (278)

Feature Selection for Machine Learning‐Driven Accelerated Discovery and Optimization in Emerging Photovoltaics: A Review

open access: yesAdvanced Intelligent Discovery, EarlyView.
Feature selection combined with machine learning and high‐throughput experimentation enables efficient handling of high‐dimensional datasets in emerging photovoltaics. This approach accelerates material discovery, improves process optimization, and strengthens stability prediction, while overcoming challenges in data quality and model scalability to ...
Jiyun Zhang   +5 more
wiley   +1 more source

What to Make and How to Make It: Combining Machine Learning and Statistical Learning to Design New Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
Combining machine learning and probabilistic statistical learning is a powerful way to discover and design new materials. A variety of machine learning approaches can be used to identify promising candidates for target applications, and causal inference can help identify potential ways to make them a reality.
Jonathan Y. C. Ting, Amanda S. Barnard
wiley   +1 more source

A Solution for Exosome‐Based Analysis: Surface‐Enhanced Raman Spectroscopy and Artificial Intelligence

open access: yesAdvanced Intelligent Discovery, EarlyView.
Exosomes are emerging as powerful biomarkers for disease diagnosis and monitoring. This review highlights the integration of surface‐enhanced Raman spectroscopy with artificial intelligence to enhance molecular fingerprinting of exosomes. Machine learning and deep learning techniques improve spectral interpretation, enabling accurate classification of ...
Munevver Akdeniz   +2 more
wiley   +1 more source

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

open access: yesAdvanced 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   +3 more
wiley   +1 more source

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

open access: yesAdvanced 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   +5 more
wiley   +1 more source

Inverse Design of Alloys via Generative Algorithms: Optimization and Diffusion within Learned Latent Space

open access: yesAdvanced Intelligent Discovery, EarlyView.
This work presents a novel generative artificial intelligence (AI) framework for inverse alloy design through operations (optimization and diffusion) within learned compact latent space from variational autoencoder (VAE). The proposed work addresses challenges of limited data, nonuniqueness solutions, and high‐dimensional spaces.
Mohammad Abu‐Mualla   +4 more
wiley   +1 more source

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