Results 171 to 180 of about 19,041 (309)
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 +2 more
wiley +1 more source
Iterative solvers for the stochastic finite element method
, 2008 The need for accurate simulations and reliability estimates of predictions has led to a variety of techniques to mathematically model and quantify uncertainty and variability.
Vandewalle, Stefan, Rosseel, Eveline
core
Fusion of clinical and stochastic finite element data for hip fracture risk prediction. [PDF]
J Biomech, 2015 Jiang P, Missoum S, Chen Z.
europepmc +1 more source
Automated generative process synthesis via transformer‐based dual‐loop simulation and optimization
AIChE Journal, EarlyView.Abstract This study presents a novel framework for automated generative process synthesis, addressing the complexity of simultaneously optimizing discrete topologies and continuous operating variables. To overcome conventional superstructure limitations, we propose a dual‐loop architecture integrating generative transformers with rigorous process ...
Yeong Woo Son +4 more
wiley +1 more source
A review of probabilistic analysis in orthopaedic biomechanics
Probabilistic analysis methods are being increasingly applied in the orthopaedics and biomechanics literature to account for uncertainty and variability in subject geometries, properties of various structures, kinematics and joint loading, as well as ...
Laz, P. J., Browne, M.
core +1 more source
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 +6 more
wiley +1 more source
Semi-analytical Complex Variable Based Stochastic Finite Element Method
, 2008 The stochastic finite element method (SFEM) is an approach that allows an analyst to define material, load, and geometry parameters as random variables to represent uncertainty in an engineering problem.
Jin, Weiya
core
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 +1 more
wiley +1 more source
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 +12 more
wiley +1 more source
Advanced Intelligent Discovery, EarlyView.Automated procedural analysis is recognized as one of the major game changers for robotic surgery. Meaning digital analysis needs to replace the manual assessments that set todays standard. Mechanical robotic‐instrument tracking enables the derivation of quantitative kinematic metrics that support behavior‐based workflow segmentation into distinct ...
Kateryna Pirkovets +4 more
wiley +1 more source