Results 81 to 90 of about 14,667 (177)

The Empirical Bayes Variational Autoencoder-A Neural ODE Approach for Population Modeling in Pharmacology. [PDF]

CPT Pharmacometrics Syst Pharmacol
Baaz M, Sjöberg A, Jirstrand M.
europepmc   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

On real-time calibrated prediction for complex model-based decision support in pandemics: Part 2. [PDF]

PLoS Comput Biol
McKinley TJ, Williamson DB, Xiong X, Salter JM, Challen R, Danon L, Youngman B, McNeall D.   +7 more
europepmc   +1 more source

Population balance modeling and digital design of degree of agglomeration in industrial crystallization

AIChE Journal, EarlyView.
Abstract This study presents a coupled population balance model (PBM) for describing the degree‐of‐agglomeration (DoA) in crystallization by independently tracking total particle and agglomerate number densities. Applied to an industrial active pharmaceutical ingredient, the model outperformed bridge‐counting methods and accurately captured DoA trends ...
Yung‐Shun Kang, Hemalatha Kilari, Neda Nazemifard, C. Benjamin Renner, Yihui Yang, Charles Papageorgiou, Zoltan K. Nagy   +6 more
wiley   +1 more source

Accelerated inference for stochastic compartmental models with over-dispersed partial observations. [PDF]

Stat Comput
Whitehouse M.
europepmc   +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

NeuralVisionNet: a probabilistic neural process model for continuous visual anticipation. [PDF]

Front Comput Neurosci
He H, Chen R, Wang Y, Chen X.
europepmc   +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

Spatiotemporal weather forecasting via multi-scale graph neural networks and latent diffusion models. [PDF]

PLoS One
Wu Z.
europepmc   +1 more source

Deep Learning‐Assisted Design of Mechanical Metamaterials

Advanced Intelligent Discovery, EarlyView.
This review examines the role of data‐driven deep learning methodologies in advancing mechanical metamaterial design, focusing on the specific methodologies, applications, challenges, and outlooks of this field. Mechanical metamaterials (MMs), characterized by their extraordinary mechanical behaviors derived from architected microstructures, have ...
Zisheng Zong, Pu Wen, Zhiping Chai, Dunxuan Wu, Han Ding, Zhigang Wu   +5 more
wiley   +1 more source