Results 181 to 190 of about 380,569 (245)

Calcium dynamics in small spaces: Lessons learned from modeling in dendritic spines. [PDF]

Biophys J
McCabe KJ, Hernández Mesa M, Rangamani P.   +2 more
europepmc   +1 more source

A multiscale Bayesian optimization framework for process and material codesign

AIChE Journal, EarlyView.
Abstract The simultaneous design of processes and enabling materials such as solvents, catalysts, and adsorbents is challenging because molecular‐ and process‐level decisions are strongly interdependent. Sequential approaches often yield suboptimal results since improvements in material properties may not translate into superior process performance. We
Michael Baldea
wiley   +1 more source

A time-dependent reliability model for spatial intermittent motion mechanisms via constant-amplitude alternating fatigue load equivalent method. [PDF]

Sci Rep
Cheng P, Zhang T, Zhu Y.
europepmc   +1 more source

Trust‐region filter algorithms utilizing Hessian information for gray‐box optimization

AIChE Journal, EarlyView.
Abstract Optimizing industrial processes often involves gray‐box models that couple algebraic glass‐box equations with black‐box components lacking analytic derivatives. Such systems challenge derivative‐based solvers. The classical trust‐region filter (TRF) algorithm provides a robust framework but requires extensive parameter tuning and numerous ...
Gul Hameed, Tao Chen, Antonio del Rio Chanona, Lorenz T. Biegler, Michael Short   +4 more
wiley   +1 more source

Simultaneous State and Parameter Estimation Methods Based on Kalman Filters and Luenberger Observers: A Tutorial & Review. [PDF]

Sensors (Basel)
Chebbi A, Franchek MA, Grigoriadis K.
europepmc   +1 more source

A rational strategy to optimize photodrugs by Molecular Dynamics simulations for killing drug‐resistant Gram‐negative bacteria

AIChE Journal, EarlyView.
Abstract Antimicrobial resistance has become a major threat to human health, particularly for Gram‐negative bacteria such as Acinetobacter baumannii and Klebsiella pneumoniae. Disruption of membrane integrity is regarded as a promising antimicrobial strategy that does not induce distinct drug resistance, while increasing the internalization of drug ...
Lei Hao, Yeonho Song, Cheng Zhang, Yumei Wang, Haoying Ge, Wen Sun, Jingyun Wang, Jun Soo Kim, Xiaojun Peng, Juyoung Yoon, Haidong Li   +10 more
wiley   +1 more source

Biomimetic Synthetic Somatic Markers in the Pixelverse: A Bio-Inspired Framework for Intuitive Artificial Intelligence. [PDF]

Biomimetics (Basel)
Lima V, Martinho D.
europepmc   +1 more source

Sequential Monte Carlo with likelihood tempering and parallel implementation for uncertainty quantification

AIChE Journal, EarlyView.
Abstract Bayesian estimation enables uncertainty quantification, but analytical implementation is often intractable. As an approximate approach, the Markov Chain Monte Carlo (MCMC) method is widely used, though it entails a high computational cost due to frequent evaluations of the likelihood function.
Tatsuki Maruchi, Tomoyuki Yajima, Yoshiaki Kawajiri   +2 more
wiley   +1 more source

Intelligent particle filtering state observer for stability assessment in solar-wind penetrated microgrids. [PDF]

Sci Rep
Alharbi A.
europepmc   +1 more source

Graph‐based imitation and reinforcement learning for efficient Benders decomposition

AIChE Journal, EarlyView.
Abstract This work introduces an end‐to‐end graph‐based agent for accelerating the computational efficiency of Benders Decomposition. The agent's policy is parameterized by a graph neural network, which takes as input a bipartite graph representation of the master problem and proposes a candidate solution.
Bernard T. Agyeman, Zhe Li, Ilias Mitrai, Prodromos Daoutidis   +3 more
wiley   +1 more source