Results 191 to 200 of about 5,655,450 (249)

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

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

Spheres, tears, and spears: Regulating the perimeter and circularity of millimeter‐sized alginate hydrogel beads

open access: yesAIChE Journal, EarlyView.
Abstract Generating hydrogel beads pertains to many engineering applications. We examined two alginate‐based fluids at three concentrations of alginate, cAG$$ {c}_{\mathrm{AG}} $$. We used the “Map of Misery” to determine which material property (viscosity, elasticity, and inertia) drives droplet formation.
Conor G. Harris   +5 more
wiley   +1 more source

Graph‐based imitation and reinforcement learning for efficient Benders decomposition

open access: yesAIChE 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   +3 more
wiley   +1 more source

Universally Accurate or Specifically Inadequate? Stress‐Testing General Purpose Machine Learning Interatomic Potentials

open access: yesAdvanced Intelligent Discovery, EarlyView.
We investigate MACE‐MP‐0 and M3GNet, two general‐purpose machine learning potentials, in materials discovery and find that both generally yield reliable predictions. At the same time, both potentials show a bias towards overstabilizing high energy metastable states. We deduce a metric to quantify when these potentials are safe to use.
Konstantin S. Jakob   +2 more
wiley   +1 more source

What to Make and How to Make It: Combining Machine Learning and Statistical Learning to Design New Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
Combining machine learning and probabilistic statistical learning is a powerful way to discover and design new materials. A variety of machine learning approaches can be used to identify promising candidates for target applications, and causal inference can help identify potential ways to make them a reality.
Jonathan Y. C. Ting, Amanda S. Barnard
wiley   +1 more source

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