Results 91 to 100 of about 35,277 (187)

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

Advanced 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, Ellis Crabtree, Fredrick Michael, Yayue Pan, Jida Huang   +4 more
wiley   +1 more source

Artificial Intelligence for Bone: Theory, Methods, and Applications

Advanced Intelligent Discovery, EarlyView.
Advances in artificial intelligence (AI) offer the potential to improve bone research. The current review explores the contributions of AI to pathological study, biomarker discovery, drug design, and clinical diagnosis and prognosis of bone diseases. We envision that AI‐driven methodologies will enable identifying novel targets for drugs discovery. The
Dongfeng Yuan, Haicang Zhang, Liping Tong, Di Chen   +3 more
wiley   +1 more source

Large Language Model in Materials Science: Roles, Challenges, and Strategic Outlook

Advanced Intelligent Discovery, EarlyView.
Large language models (LLMs) are reshaping materials science. Acting as Oracle, Surrogate, Quant, and Arbiter, they now extract knowledge, predict properties, gauge risk, and steer decisions within a traceable loop. Overcoming data heterogeneity, hallucinations, and poor interpretability demands domain‐adapted models, cross‐modal data standards, and ...
Jinglan Zhang, Xinyi Chen, Xu Ye, Yulin Yang, Bin Ai   +4 more
wiley   +1 more source

A Multi-Branch Training Strategy for Enhancing Neighborhood Signals in GNNs for Community Detection. [PDF]

Entropy (Basel)
Guo Y, Wu Q, Lü L.
europepmc   +1 more source

The Challenge of Handling Structured Missingness in Integrated Data Sources

Advanced Intelligent Discovery, EarlyView.
As data integration becomes ever more prevalent, a new research question that emerges is how to handle missing values that will inevitably arise in these large‐scale integrated databases? This missingness can be described as structured missingness, encompassing scenarios involving multivariate missingness mechanisms and deterministic, nonrandom ...
James Jackson, Marius Hofert, Eleni‐Rosalina Andrinopoulou, Niels Hagenbuch, Sarah McGough, Chris Harbron, Robin Mitra   +6 more
wiley   +1 more source

Evaluating topological and graph-theoretical approaches to extract complex multimodal brain connectivity patterns in multiple sclerosis. [PDF]

Health Inf Sci Syst
Lozano-Bagén T, Martinez-Heras E, Pontillo G, Solana E, Vivó F, Petracca M, Calvi A, Garrido-Romero S, Solé-Ribalta A, Llufriu S, Prados F, Casas-Roma J.   +11 more
europepmc   +1 more source

Computer Vision Pipeline for Image Analysis for Freeze‐Fracture Electron Microscopy: Rosette Cellulose Synthase Complexes Case

Advanced Intelligent Discovery, EarlyView.
This paper presents a computer vision (deep learning) pipeline integrating YOLOv8 and YOLOv9 for automated detection, segmentation, and analysis of rosette cellulose synthase complexes in freeze‐fracture electron microscopy images. The study explores curated dataset expansion for model improvement and highlights pipeline accuracy, speed ...
Siri Mudunuri, Leala Carbonneau, Eric M. Roberts, Alison W. Roberts, Candace H. Haigler, Alexey V. Gulyuk, Yaroslava G. Yingling   +6 more
wiley   +1 more source

Episodic memory involves transient and sparse connectivity aligned to both internal and external events. [PDF]

PLoS Biol
Dede AJO, Cross ZR, Gray SM, Kelly JP, Yin Q, Vahidi P, Asano E, Schuele SU, Rosenow JM, Wu JY, Lam SK, Raskin JS, Lin JJ, Kim McManus O, Sattar S, Shaikhouni A, King-Stephens D, Weber PB, Laxer KD, Brunner P, Roland JL, Saez I, Girgis F, Knight RT, Ofen N, Johnson EL.   +25 more
europepmc   +1 more source

FastCat: Autonomous Discovery of Multielement Layered Double Hydroxide Alloy Catalysts for Alkaline Oxygen Evolution Reaction

Advanced Intelligent Discovery, EarlyView.
A machine learning‐guided self‐driving laboratory screened over 500 nickel‐based layered double‐hydroxide catalysts for alkaline oxygen evolution. Out of the eight metals, the robot uncovered a quaternary Ni–Fe–Cr–Co catalysts requiring only 231 mV overpotential to reach 20 mA cm−2.
Nis Fisker‐Bødker, Enzo Raffaele Moretti, Jin Hyun Chang, Tejs Vegge   +3 more
wiley   +1 more source

Crossover operators for molecular graphs with an application to virtual drug screening. [PDF]

J Cheminform
Domschke N, Schmidt BJ, Gatter T, Golnik R, Eisenhuth P, Liessmann F, Meiler J, Stadler PF.   +7 more
europepmc   +1 more source