Results 111 to 120 of about 10,658 (237)

Information geometry for multiparameter models: new perspectives on the origin of simplicity. [PDF]

open access: yesRep Prog Phys, 2022
Quinn KN   +4 more
europepmc   +1 more source

Consolidation of multiple binary distillation columns for large heat duty savings

open access: yesAIChE Journal, EarlyView.
ABSTRACT The enormous scales of chemical and petrochemical plants present significant challenges in separating and purifying numerous mixed streams generated within a facility, as well as in achieving effective energy utilization and process intensification.
Parikshit S. Kadu, Rakesh Agrawal
wiley   +1 more source

Model‐based fault diagnosis and fault tolerant control in safety‐critical chemical reactors: An experimental study

open access: yesAIChE Journal, EarlyView.
Abstract This study investigates a fault‐tolerant control (FTC) approach for continuous stirred‐tank reactors (CSTR), emphasizing the importance of timely interventions to ensure operational safety under fault conditions. A systematic methodology combining residual‐based fault estimation and Dynamic Safety Margin (DSM) monitoring is developed to guide ...
Pu Du   +3 more
wiley   +1 more source

Dictionary‐based weak‐form training for noise‐robust series hybrid models with multiplicative unknowns

open access: yesAIChE Journal, EarlyView.
ABSTRACT Hybrid modeling combines first‐principles equations with a data‐driven subcomponent. Training for the data‐driven part is sensitive to measurement noise when training targets are constructed using pointwise time derivatives. Beyond differentiation errors, hybrid models involve solving an inverse problem to estimate the data‐driven term, which ...
Hangjun Cho   +4 more
wiley   +1 more source

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

open access: yesAIChE 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

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

open access: yesAdvanced 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   +4 more
wiley   +1 more source

The Voynich manuscript: Symbol roles revisited. [PDF]

open access: yesPLoS One, 2022
Matlach V, Janečková BA, Dostál D.
europepmc   +1 more source

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