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
Analysis of evolution of the policy framework and governance mechanisms and their influence on the institutionalisation process of integrated community case management in Burkina Faso between 2010 and 2024: a scoping review. [PDF]
Ouedraogo HS +5 more
europepmc +1 more source
AI in chemical engineering: From promise to practice
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 +4 more
wiley +1 more source
Identifying Priorities for the Department of Veterans Affairs Strategic Plan: A Rapid Multi-Method Evaluation. [PDF]
Donnelly JP +7 more
europepmc +1 more source
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
Viewpoint: Community-led social prescribing in low and middle income countries: a case study from Lao People's Democratic Republic. [PDF]
Kubota S +11 more
europepmc +1 more source
A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons
We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam +5 more
wiley +1 more source
Rethinking revolving door research: a scoping review of methods and datasets used by non-academics to examine the revolving door. [PDF]
Jaenecke S, Lacy-Nichols J.
europepmc +1 more source
Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley +1 more source
Antecedents of the effectiveness of entrepreneurship policy: An integrated framework. [PDF]
Zhang M, Zhang W.
europepmc +1 more source

