Results 91 to 100 of about 9,454 (183)

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

Probabilistic assessment of human instability in urban areas exposed to flood events. [PDF]

Sci Rep
Bernardini G, Lagona F, Mingione M, Postacchini M.   +3 more
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

Explainable Reinforcement Learning for the Initial Design Optimization of Compressors Inspired by the Black-Winged Kite. [PDF]

Biomimetics (Basel)
Zhang M, Miao Z, Nan X, Ma N, Liu R.
europepmc   +1 more source

AI in chemical engineering: From promise to practice

AIChE Journal, EarlyView.
Abstract Artificial intelligence (AI) in chemical engineering has moved from promise to practice: physics‐aware (gray‐box) models are gaining traction, reinforcement learning complements model predictive control (MPC), and generative AI powers documentation, digitization, and safety workflows.
Jia Wei Chew, Ronnie Andersson, Thomas Bierweiler, Patrik Ryttestal, Torsten Wik   +4 more
wiley   +1 more source

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

Advanced 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, Karsten Reuter, Johannes T. Margraf   +2 more
wiley   +1 more source

Performance of ChatGPT and Gemini Compared with Emergency Physicians in NSTEMI Cases: A Prospective Cross-sectional Study. [PDF]

Arch Iran Med
Yorgancıoğlu M, Saglam Gurmen E.
europepmc   +1 more source

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

Advanced 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

The realism of behavioral theory-based vs. non-theory-based AI agents during a simulated infant formula shortage. [PDF]

Front Artif Intell
Desens L, Walling B, O'Neill R, Howard V, Giammarino M, Scannell D, Kemble A, Wilkerson T, Nhial N, Elson SB, Rosen S.   +10 more
europepmc   +1 more source

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

Advanced 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, Xinyi Chen, Xu Ye, Yulin Yang, Bin Ai   +4 more
wiley   +1 more source