A multiscale Bayesian optimization framework for process and material codesign
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
Trust‐region filter algorithms utilizing Hessian information for gray‐box optimization
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
Does Increasing Atmospheric Carbon Dioxide Facilitate Plant Invasions? [PDF]
Cadotte MW +3 more
europepmc +1 more source
A trust‐region funnel algorithm for gray‐box optimization
Abstract Gray‐box optimization, where parts of optimization problems are represented by algebraic models while others are treated as black‐box models lacking analytic derivatives, remains a challenge. Trust‐region (TR) methods provide a robust framework for gray‐box problems through local reduced models (RMs) for black‐box components, but they are ...
Gul Hameed +4 more
wiley +1 more source
"Doing no harm" in the digital age: navigating tradeoffs and operational considerations for privacy-preserving deep learning in medicine. [PDF]
Ong AY, Rosen KL, Sui M, Kvedar JC.
europepmc +1 more source
Eutrophication reverses whole-lake carbon budgets
F. Pacheco, F. Roland, J. Downing
semanticscholar +1 more source
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 +2 more
wiley +1 more source
A Path to True Integration: Making Global Mental Health Commitments a National Reality. [PDF]
Vinko M, Collins T, Kousoulis A.
europepmc +1 more source
Graph‐based imitation and reinforcement learning for efficient Benders decomposition
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
Financing surgery in LMICs: building sustainable and equitable systems for universal surgical access - a narrative review. [PDF]
Mengistie CT +7 more
europepmc +1 more source

