Results 121 to 130 of about 14,691 (177)

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

A filtering approach for statistical inference in a stochastic SIR model with an application to Covid-19 data. [PDF]

Biostatistics
Colaneri K, Damian C, Frey R.
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

Inference and prediction for stochastic models of biological populations undergoing migration and proliferation. [PDF]

J R Soc Interface
Simpson MJ, Plank MJ.
europepmc   +1 more source

GraphRAG for engineering diagrams: ChatP&ID enables LLM interaction with P&IDs

AIChE Journal, EarlyView.
Abstract Piping and Instrumentation Diagrams (P&IDs) are central to process engineering workflows, yet extracting information from them remains a tedious and time‐consuming task. This work introduces ChatP&ID, a framework enabling natural‐language interaction with smart P&IDs through Graph Retrieval‐Augmented Generation (GraphRAG), to our knowledge ...
Achmad Anggawirya Alimin, Artur M. Schweidtmann   +1 more
wiley   +1 more source

Context-aware temporal synthesis for scene, entity, and event inference from silent image. [PDF]

Front Neurosci
Rokaya M, Hemdan DI, Alzain MA, Atlam ES.   +3 more
europepmc   +1 more source

Toward Knowledge‐Guided AI for Inverse Design in Manufacturing: A Perspective on Domain, Physics, and Human–AI Synergy

Advanced Intelligent Discovery, EarlyView.
This perspective highlights how knowledge‐guided artificial intelligence can address key challenges in manufacturing inverse design, including high‐dimensional search spaces, limited data, and process constraints. It focused on three complementary pillars—expert‐guided problem definition, physics‐informed machine learning, and large language model ...
Hugon Lee, Hyeonbin Moon, Junhyeong Lee, Seunghwa Ryu   +3 more
wiley   +1 more source

Multimodal data integration to determine viral and innate immune kinetics in human airway epithelium. [PDF]

PLoS Comput Biol
Lukas P, Gibeaud A, Schumer C, Arruda J, Guedj J, Terrier O, Graw F.   +6 more
europepmc   +1 more source

Smart Flexible Tactile Sensors: Recent Progress in Device Designs, Intelligent Algorithms, and Multidisciplinary Applications

Advanced Intelligent Discovery, EarlyView.
Flexible tactile sensors have considerable potential for broad application in healthcare monitoring, human–machine interfaces, and bioinspired robotics. This review explores recent progress in device design, performance optimization, and intelligent applications. It highlights how AI algorithms enhance environmental adaptability and perception accuracy
Siyuan Wang, Ming Dong, Rongrong Bao, Caofeng Pan   +3 more
wiley   +1 more source

TimesNet-BFT: Mitigating Network State Uncertainty in Byzantine Consensus via Deep Temporal Modeling. [PDF]

Entropy (Basel)
Wang H, Liu H, Liu Y, Ma H, Gao P.
europepmc   +1 more source